A0A3Q0KHA7_SCHMA Loading...

Putative rhoptry associated membrane antigen

AlphaFold DB , UniProt , Accession A0A3Q0KHA7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 901 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 low33.5Very low245 Ų245146.8 Ų146.8100%1.20780%0.801SS**  0141.50-96.3-176.3164.800107.9
2A36Very low33.6Very low86 Ų86145.9 Ų145.971%0.71180%0.795SS**  trans79.2128.5179.500000115.4
3D34.4Very low33.8Very low139 Ų139147.7 Ų147.774%0.74380%0.804SS**  cis-166.2121.9-6.5-86.8-35.5000104
4S31.3Very low33.8Very low95 Ų95149.6 Ų149.666%0.66481%0.805SS**  31.1115.5102.459.50000117.4
5F37.3Very low34.1Very low207 Ų207148.3 Ų148.391%0.90880%0.797SS**  trans-175.899.2141.6-96.8-72.2000107.5
6N31Very low34.4Very low144 Ų144150.4 Ų150.477%0.7781%0.807SS**  46.4108.181.1-87.8-5.1000116.9
7T35.5Very low34.3Very low139 Ų139149.2 Ų149.285%0.85380%0.799SS**  trans-174.598.8141.3-56.10000105.3
8T31.6Very low34.1Very low103 Ų103149.4 Ų149.463%0.63280%0.8SS**  65.3114.661.9-6.60000117.1
9H31Very low34.2Very low161 Ų161152.5 Ų152.575%0.74581%0.805SS**  trans67.3116.7147.8-76.7-14.9000121.5
10N36Very low34.2Very low155 Ų155154.5 Ų154.583%0.82981%0.81SS**  -163.5136.793-86-27.2000110.5
11N31.3Very low34Very low141 Ų141154.9 Ų154.975%0.75481%0.812SS**  trans-98.1164.5173.6-90.8-1.4000109.9
12D35.8Very low34Very low136 Ų136150.9 Ų150.973%0.72780%0.795SS**  trans78.9108.7154-52.3-29000117.9
13D36.3Very low34Very low169 Ų169156.1 Ų156.190%0.90481%0.805SS**  -175.494.1121.5-84.8-22.8000109
14E33.8Very low33.8Very low175 Ų175159.1 Ų159.182%0.81882%0.815SS**  trans-81160.7159.7-79.1-74.7169.200109.7
15D38.3Very low33.9Very low130 Ų130163.4 Ų163.470%0.69582%0.824SS**  trans80.388.6166.6-63.3-29000119.9
16L38.1Very low33.8Very low182 Ų182162.1 Ų162.195%0.95382%0.821SS**  trans-136.287.7144.6-93.1168.2000110.5
17I33.5Very low34.1Very low130 Ų130163.5 Ų163.567%0.66783%0.829SS**  trans-72145.6166.2-70.3167.1000109.8
18N30.9Very low34Very low153 Ų153163.2 Ų163.282%0.81883%0.827SS**  trans88.287.9170.2-57.7-29.4000118.5
19K35.7Very low34.1Very low207 Ų207165.3 Ų165.390%0.984%0.839SS**  trans-138.878.7157.4-84.6-176177.3171.50110.3
20E33Very low34.1Very low193 Ų193164.6 Ų164.690%0.90284%0.841SS**  trans-161.375.2163-123.7171.7-168.700110.7
21L30.5Very low34.1Very low162 Ų162163.4 Ų163.485%0.84884%0.843SS**  trans-165.686.7167.1-110.8166.9000105.9
22N33.6Very low34.1Very low161 Ų161161.3 Ų161.386%0.86184%0.839SS**  trans-176.694.7168.5-89.4-34.3000109.5
23Q34.8Very low33.9Very low197 Ų197161.2 Ų161.292%0.92184%0.839SS**  trans-17981.5150.6-105.1169.14500110.3
24E31.6Very low34Very low202 Ų202161.2 Ų161.294%0.94484%0.839SS**  trans-168.274.4146.7-119.6175.1168.200110
25E31.9Very low33.9Very low184 Ų184160 Ų16086%0.8684%0.838SS**  trans-129.8112164.4-82.2-170.5160.700107.6
26Q36.6Very low33.7Very low181 Ų181160.8 Ų160.885%0.84685%0.847SS**  trans176.1101.6145.7-100167.850.900109.6
27N35.9Very low33.5Very low173 Ų173157.2 Ų157.293%0.92584%0.835SS**  trans-161.487141.1-94-26.6000109
28T33.2Very low33.2Very low133 Ų133160.7 Ų160.782%0.81685%0.845SS**  trans-80120.6168.5400000110.1
29V34.1Very low33.2Very low146 Ų146159.5 Ų159.589%0.88585%0.846SS**  trans-132119.8152.6176.80000107.9
30D32.1Very low32.9Very low147 Ų147157.6 Ų157.679%0.78684%0.842SS**  trans-100131.4-171.3-169.310.3000109
31C34.4Very low32.7Very low130 Ų130153.7 Ų153.788%0.87883%0.832SS**  trans-154.9115.9166-94.60000109.6
32S31.8Very low32.8Very low96 Ų96152.2 Ų152.267%0.67183%0.83SS**  trans-84.6156.5-172.653.10000115.4
33D32.7Very low32.7Very low134 Ų134153.2 Ų153.272%0.71783%0.829SS**  trans65.7113.4144.8-68.6-23.2000121.3
34N37.6Very low32.8Very low170 Ų170154.5 Ų154.591%0.90983%0.827SS**  -160.2106.1127.6-91.6-33.9000111
35N32.2Very low32.9Very low150 Ų150153.3 Ų153.380%0.80282%0.822SS**  trans-81.6149164-82.2-48.9000110.5
36V32.7Very low32.9Very low145 Ų145151.3 Ų151.388%0.87982%0.816SS**  trans171.5148.8136.11530000110.8
37P34.3Very low32.9Very low108 Ų108150.2 Ų150.270%0.70182%0.816SS**  trans-117.6174.6-141.940.8-28000117.4
38F27.3Very low32.7Very low202 Ų202149 Ų14989%0.88681%0.81SS**  trans-26.1141170.1-68.9-92.8000119.7
39P32.1Very low32.9Very low128 Ų128147.7 Ų147.783%0.83181%0.806SS**  trans-102.6133150.433.1-21.3000111.7
40M28.6Very low32.7Very low167 Ų167147.7 Ų147.782%0.82380%0.801SS**  trans-89.2151.8177.7-88.7-151.8-172.500113.1
41T28.6Very low32.9Very low111 Ų111149.2 Ų149.268%0.68180%0.804SS**  trans57.5118.2141.959.10000120.7
42T33.5Very low32.6Very low132 Ų132150.5 Ų150.581%0.8180%0.796SS**  trans-138.7105.2139.245.20000109
43E31Very low32.8Very low181 Ų181153.7 Ų153.785%0.84681%0.806SS**  trans-75.8136.5162.9-62.2-179.2160.100108.4
44Y36.2Very low32.6Very low224 Ų224154.1 Ų154.188%0.87881%0.808SS**  trans-128.6127.6164.4-100.1-83.5000109.2
45E33.5Very low32.3Very low178 Ų178149.2 Ų149.283%0.83280%0.798SS**  trans-71140.8-170.3-69170.2129.800114.1
46L31.8Very low32.1Very low141 Ų141149.6 Ų149.674%0.73880%0.8SS**  trans22.4120.4133.5-70.5155.2000119
47D37.5Very low32.2Very low158 Ų158149 Ų14985%0.84580%0.796SS**  trans-137.9101.5141.5-148-5.1000110.5
48N31.8Very low32Very low148 Ų148149.9 Ų149.979%0.79180%0.8SS**  trans-91.390.8174.2-86.7-23.4000108.3N50N48-N50 PolarHBondContact O-N 3.47Å
49S38.2Very low32.2Very low105 Ų105149.2 Ų149.273%0.73480%0.799SS**  trans-91.3102.7169.7123.10000109.9
50N29.3Very low32.3Very low146 Ų146147.9 Ų147.978%0.78179%0.793SS**  trans-79.1110.1170-132.9-10000108N48N48-N50 PolarHBondContact O-N 3.47Å
51Q35.9Very low32.5Very low180 Ų180145.1 Ų145.184%0.84179%0.79SS**  trans-130.8105.7163.3-94.9-170.2-0.600110.9N53Q51-N53 PolarHBondContact O-N 3.44Å
52H28.9Very low32.7Very low157 Ų157146.8 Ų146.873%0.72780%0.795SS**  trans-50124.2160.5-70-85.5000110.8
53N35.4Very low32.5Very low162 Ų162148.7 Ų148.787%0.86679%0.794SS**  trans-138.2106.6145.9-134.2-3.5000109.8Q51 G55Q51-N53 PolarHBondContact O-N 3.44Å; N53-G55 PolarHBondContact O-N 3.21Å
54N28.4Very low32.5Very low143 Ų143150.8 Ų150.877%0.76580%0.796SS**  trans-65.4104.5170.4-74.7-26.8000108.6
55G31.4Very low32.5Very low67 Ų67145.3 Ų145.369%0.69179%0.786SS**  trans-112.983.5164.600000109.1N53 V57N53-G55 PolarHBondContact O-N 3.21Å; G55-V57 PolarHBondContact O-N 3.38Å
56N29Very low32.5Very low158 Ų158144 Ų14485%0.84578%0.783SS**  trans-60.9105.3166.1-74.4-12.4000108.2
57V33.6Very low32.6Very low133 Ų133143.5 Ų143.581%0.80678%0.781SS**  trans-123.1109.3159.5-176.90000107.2G55G55-V57 PolarHBondContact O-N 3.38Å
58T30.8Very low32.3Very low127 Ų127142 Ų14278%0.77977%0.773SS**  trans-31.8122.9175.1-22.50000113.9S60T58-S60 PolarHBondContact O-N 3.34Å
59E31Very low32.4Very low188 Ų188142.6 Ų142.688%0.87977%0.769SS**  trans-58.8114.3160-68.6172.9166.200108.8
60S34.2Very low32.1Very low100 Ų100143.3 Ų143.370%0.69976%0.764SS**  trans-99.188.9161.859.20000107.7T58 N62T58-S60 PolarHBondContact O-N 3.34Å; S60-N62 VanDerWaalsContact C-N 3.32Å; S60-N62 PolarHBondContact O-N 3.18Å
61S32.3Very low32.3Very low108 Ų108142.9 Ų142.976%0.75576%0.762SS**  trans-63.292.1161.945.10000108.7E63S61-E63 VanDerWaalsContact C-N 3.26Å; S61-E63 PolarHBondContact O-N 3.36Å; S61-E63 VanDerWaalsContact O-N 3.16Å
62N33Very low32.1Very low146 Ų146141.1 Ų141.178%0.78176%0.757SS**  trans-81.484.7162.5-80.3-12.9000107.6S60 Y64S60-N62 VanDerWaalsContact C-N 3.32Å; S60-N62 PolarHBondContact O-N 3.18Å; N62-Y64 PolarHBondContact O-N 3.14Å
63E30.3Very low32.2Very low172 Ų172141.2 Ų141.280%0.80476%0.762SS**  trans-55.8113.8162.7-170.6171.2-172.200108S61 V65S61-E63 VanDerWaalsContact C-N 3.26Å; S61-E63 PolarHBondContact O-N 3.36Å; S61-E63 VanDerWaalsContact O-N 3.16Å; E63-V65 PolarHBondContact O-N 3.18Å
64Y30.2Very low32Very low226 Ų226138.4 Ų138.489%0.88675%0.751SS**  trans-66.1101172.9-117.2-98.5000107.6N62 I66N62-Y64 PolarHBondContact O-N 3.14Å; Y64-I66 PolarHBondContact O-N 3.09Å
65V35.7Very low32.1Very low109 Ų109140.9 Ų140.966%0.66176%0.758SS**  trans-65.2115.2171.51760000107.6E63 D67E63-V65 PolarHBondContact O-N 3.18Å; V65-D67 PolarHBondContact O-N 3.37Å
66I33.4Very low32.1Very low151 Ų151144 Ų14477%0.77476%0.763SS**  trans-64.2102.7165.5-63.7172.2000106.1Y64 N68Y64-I66 PolarHBondContact O-N 3.09Å; I66-N68 PolarHBondContact O-N 3.31Å
67D34.9Very low32.3Very low130 Ų130143.1 Ų143.170%0.69575%0.754SS**  trans-65.984.4171.5-91.1-21.3000108.9V65 K69V65-D67 PolarHBondContact O-N 3.37Å; D67-K69 PolarHBondContact O-N 3.42Å
68N30.1Very low32.2Very low126 Ų126143.1 Ų143.167%0.67475%0.754SS**  trans-74.770.3171.7-148.522.3000108.4I66 N70I66-N68 PolarHBondContact O-N 3.31Å; N68-N70 PolarHBondContact O-N 3.28Å
69K35.1Very low32.2Very low161 Ų161146.6 Ų146.670%0.775%0.753SS**  trans-78.772.2166.2-72.4-168.6180179.20108.9D67 D71D67-K69 PolarHBondContact O-N 3.42Å; K69-D71 PolarHBondContact O-N 3.36Å
70N30.7Very low32.1Very low119 Ų119144.6 Ų144.664%0.63675%0.748SS**  trans-66.387.5149.9-81.1-9.7000106.4N68 L72N68-N70 PolarHBondContact O-N 3.28Å; N70-L72 PolarHBondContact O-N 3.07Å
71D34.9Very low31.8Very low138 Ų138147.8 Ų147.874%0.73876%0.757SS**  trans-6885162.5-79.4-23000107.1K69 I73K69-D71 PolarHBondContact O-N 3.36Å; D71-I73 VanDerWaalsContact C-N 3.28Å; D71-I73 PolarHBondContact O-N 3.23Å
72L31.1Very low31.6Very low142 Ų142148.6 Ų148.674%0.74376%0.757SS**  trans-63.188.9168.8-145.399.9000106.6N70 T74N70-L72 PolarHBondContact O-N 3.07Å; L72-T74 PolarHBondContact O-N 3.23Å
73I31.2Very low31.2Very low159 Ų159151 Ų15182%0.81576%0.764SS**  trans-72.794.5168-60.4179.3000106.6D71D71-I73 VanDerWaalsContact C-N 3.28Å; D71-I73 PolarHBondContact O-N 3.23Å
74T30.4Very low31.2Very low104 Ų104148.6 Ų148.664%0.63877%0.766SS**  trans-43.1137.2167.420.60000112.8L72 V76L72-T74 PolarHBondContact O-N 3.23Å; T74-V76 PolarHBondContact O-N 3.2Å
75E30.4Very low31Very low195 Ų195141.2 Ų141.291%0.91176%0.758SS**  trans-41112.6164.8-58.3178.7168.900111.3E77E75-E77 PolarHBondContact O-N 3.18Å
76V33Very low30.7Very low133 Ų133141.5 Ų141.581%0.80677%0.765SS**  trans-92.399.1167.8176.90000108T74T74-V76 PolarHBondContact O-N 3.2Å
77E31.8Very low30.4Very low138 Ų138137.5 Ų137.565%0.64576%0.762SS**  trans21.4104.6149.1-67.8-176.8153.800117E75 R79E75-E77 PolarHBondContact O-N 3.18Å; E77-R79 VanDerWaalsContact C-N 3.26Å; E77-R79 PolarHBondContact O-N 3.15Å; E77-R79 IonicContact OE2-NH2 3.79Å
78T31Very low30.4Very low133 Ų133138.6 Ų138.682%0.81677%0.767SS**  trans-55.689.5151.350.70000109.4N80T78-N80 PolarHBondContact O-N 3.36Å
79R31.5Very low30.4Very low201 Ų201140.5 Ų140.576%0.75878%0.778SS**  trans-70.7104165.6-76.7-170.8179.6146.46.8108E77 L81E77-R79 VanDerWaalsContact C-N 3.26Å; E77-R79 PolarHBondContact O-N 3.15Å; E77-R79 IonicContact OE2-NH2 3.79Å; R79-L81 VanDerWaalsContact C-N 3.31Å; R79-L81 PolarHBondContact O-N 3.37Å
80N28.7Very low30.2Very low145 Ų145139.7 Ų139.778%0.77578%0.78SS**  trans-47.393.4161.6-62.7-55.9000109.2T78 T82T78-N80 PolarHBondContact O-N 3.36Å; N80-T82 PolarHBondContact O-N 3.33Å
81L28.4Very low30.1Very low168 Ų168142.4 Ų142.488%0.8879%0.789SS**  trans-8597.9162.2-122.984.2000107.6R79R79-L81 VanDerWaalsContact C-N 3.31Å; R79-L81 PolarHBondContact O-N 3.37Å
82T28Very low29.9Very low125 Ų125143.6 Ų143.677%0.76780%0.795SS**  trans-38.3126.7170.5-31.40000112.1N80 S84N80-T82 PolarHBondContact O-N 3.33Å; T82-S84 PolarHBondContact O-N 3.17Å
83Q24.6Very low29.7Very low196 Ų196144.7 Ų144.792%0.91680%0.796SS**  trans-56.496.8167.7-165.817529.800109.9
84S31.1Very low29.4Very low121 Ų121142.2 Ų142.285%0.84679%0.792SS**  trans-91.4106.4164.247.60000108.2T82T82-S84 PolarHBondContact O-N 3.17Å
85G24.2Very low29.5Very low71 Ų71146.5 Ų146.573%0.73280%0.801SS**  trans-76.5144.3176.300000113.4
86S30.8Very low29.5Very low115 Ų115145.5 Ų145.580%0.80480%0.797SS**  trans169.5103.8149.353.70000103.5
87G25.9Very low29.5Very low68 Ų68146.4 Ų146.470%0.70180%0.796SS**  7182.375.900000107.6
88D36.7Very low29.5Very low152 Ų152147.2 Ų147.281%0.81380%0.799SS**  trans-165.8102.5150.7-86.1-24.8000107.2L90D88-L90 PolarHBondContact O-N 3.44Å; D88-L90 VanDerWaalsContact O-N 3.14Å
89N28.6Very low29.6Very low166 Ų166146.4 Ų146.489%0.88880%0.796SS**  trans-65104.1163.8-67.9-39.3000106.7
90L31Very low29.5Very low144 Ų144144 Ų14475%0.75480%0.798SS**  trans-9687.3163.6-87.3157.7000107.4D88 L92D88-L90 PolarHBondContact O-N 3.44Å; D88-L90 VanDerWaalsContact O-N 3.14Å; L90-L92 PolarHBondContact O-N 3.48Å
91E28.4Very low29.6Very low176 Ų176142.6 Ų142.682%0.82279%0.794SS**  trans-58.4107.9154.3-84.1172154.200107.4E93E91-E93 PolarHBondContact O-N 3.14Å
92L32.3Very low29.8Very low164 Ų164141.7 Ų141.786%0.85979%0.79SS**  trans-95.585.2166.6-71.2174.6000107.6L90L90-L92 PolarHBondContact O-N 3.48Å
93E26.7Very low29.7Very low165 Ų165142.6 Ų142.677%0.77179%0.786SS**  trans-78.4143163.4-100.2-171.7173.700110.9E91E91-E93 PolarHBondContact O-N 3.14Å
94C24.7Very low30Very low107 Ų107139.6 Ų139.672%0.72378%0.776SS**  trans69.9112.1152.6-60.50000119
95K32.9Very low30.1Very low193 Ų193140.9 Ų140.984%0.83977%0.774SS**  -176.4111.9107-97.9164.8-176.4176.80110.6I97K95-I97 PolarHBondContact O-N 3.18Å
96E28.5Very low30.3Very low174 Ų174145.5 Ų145.581%0.81378%0.782SS**  trans-59.9113.4162.9-158.2168.1-160.500108.1H98E96-H98 PolarHBondContact O-N 3.19Å
97I34Very low30.6Very low153 Ų153146.2 Ų146.279%0.78578%0.781SS**  trans-87.4100.3-179.7-61.1172.4000106.5K95 P99K95-I97 PolarHBondContact O-N 3.18Å; I97-P99 WeakPolarHBondContact O-CD 3.45Å
98H31.2Very low30.6Very low155 Ų155151.9 Ų151.972%0.71879%0.79SS**  trans-63.4123166.8-71.4-74.3000109.3E96 N100E96-H98 PolarHBondContact O-N 3.19Å; H98-N100 PolarHBondContact O-N 3.01Å
99P33.7Very low30.5Very low115 Ų115150.3 Ų150.375%0.74779%0.791SS**  trans-69.2115.4172.626.2-29.1000108.6I97 V101I97-P99 WeakPolarHBondContact O-CD 3.45Å; P99-V101 PolarHBondContact O-N 3.48Å
100N30.2Very low30.4Very low150 Ų150150.9 Ų150.980%0.80279%0.788SS**  trans-67116.4176.4-163.88.8000108.8H98 N102H98-N100 PolarHBondContact O-N 3.01Å; N100-N102 PolarHBondContact O-N 3.33Å; N100-N102 VanDerWaalsContact O-N 3.07Å
101V29.5Very low30.3Very low116 Ų116150.9 Ų150.970%0.70379%0.788SS**  trans-64.6102.7171.3177.60000107.2P99 E103P99-V101 PolarHBondContact O-N 3.48Å; V101-E103 HydrophobicContact CG1-CG 4.14Å
102N32.2Very low30.4Very low149 Ų149148.2 Ų148.280%0.79778%0.784SS**  trans-112.894.1168.2-15332.6000108.2N100N100-N102 PolarHBondContact O-N 3.33Å; N100-N102 VanDerWaalsContact O-N 3.07Å
103E27.7Very low30.3Very low145 Ų145147.4 Ų147.468%0.67878%0.781SS**  trans-63.6149.2164.6-66.1175.516600109.7V101V101-E103 HydrophobicContact CG1-CG 4.14Å
104N30.9Very low30.5Very low133 Ų133147.8 Ų147.871%0.71178%0.783SS**  trans89.4100.8171.2-44.4-56.6000116.1
105N32.5Very low30.7Very low148 Ų148150.2 Ų150.279%0.79179%0.788SS**  174.6115.5103.1-80.4-37.9000109.5T107N105-T107 PolarHBondContact O-N 2.9Å
106D28.2Very low30.5Very low168 Ų168145.9 Ų145.990%0.89878%0.781SS**  trans-61.3116.9157.5-70.3-48.9000108.7
107T36Very low30.7Very low130 Ų130144.7 Ų144.780%0.79878%0.778SS**  trans-162.5124.5151.11.40000109.8N105 S109N105-T107 PolarHBondContact O-N 2.9Å; T107-S109 PolarHBondContact O-N 3.05Å
108E27.8Very low30.5Very low187 Ų187144.2 Ų144.287%0.87478%0.777SS**  trans-41.9131.1172.3-67.7164.5120.600113.1
109S33.2Very low30.4Very low119 Ų119144.9 Ų144.983%0.83278%0.781SS**  trans-146.4117140.2600000109.3T107T107-S109 PolarHBondContact O-N 3.05Å
110Q27.3Very low30.2Very low178 Ų178149.2 Ų149.283%0.83279%0.788SS**  trans-63.9130.8174.7-60.5-169.1-17.200110
111N28.5Very low30.2Very low143 Ų143149 Ų14977%0.76579%0.785SS**  trans-156.461.7153.7-132-3.5000110.4N113N111-N113 PolarHBondContact O-N 2.75Å
112T30.4Very low30.3Very low120 Ų120152.2 Ų152.274%0.73679%0.79SS**  trans-78.293.516245.80000107.6E114T112-E114 PolarHBondContact O-N 3.34Å
113N30.6Very low30.2Very low147 Ų147149.3 Ų149.379%0.78678%0.781SS**  trans-69.385.3161.8-83.7-32.7000107.7N111 L115N111-N113 PolarHBondContact O-N 2.75Å; N113-L115 PolarHBondContact O-N 2.83Å
114E31Very low30.4Very low174 Ų174151 Ų15181%0.81379%0.788SS**  trans-65115167.5-76.5180163.500108.9T112 C116T112-E114 PolarHBondContact O-N 3.34Å; E114-C116 PolarHBondContact O-N 3.34Å
115L29.1Very low30.3Very low157 Ų157150.9 Ų150.982%0.82279%0.788SS**  trans-71.899.2177.5-162.278.7000108.5N113 I117N113-L115 PolarHBondContact O-N 2.83Å; L115-I117 PolarHBondContact O-N 3.35Å; L115-I117 VanDerWaalsContact O-N 3.11Å
116C27.2Very low30.4Very low103 Ų103151.1 Ų151.170%0.69679%0.789SS**  trans-66101.8-179.6-169.50000111.1E114E114-C116 PolarHBondContact O-N 3.34Å
117I33.7Very low30.5Very low148 Ų148150 Ų15076%0.75978%0.782SS**  trans-94.9106.8167.6-53.6177.9000107.2L115 E119L115-I117 PolarHBondContact O-N 3.35Å; L115-I117 VanDerWaalsContact O-N 3.11Å; I117-E119 PolarHBondContact O-N 3.21Å; I117-E119 VanDerWaalsContact O-N 3.11Å
118N29.5Very low30.3Very low143 Ų143148.7 Ų148.777%0.76577%0.774SS**  trans-7491.6179.7-71.5-57.6000110.8
119E29.5Very low30.5Very low169 Ų169146.7 Ų146.779%0.7977%0.769SS**  trans-94.4111.2170.4-145.3170.5-160.300110.3I117 I121I117-E119 PolarHBondContact O-N 3.21Å; I117-E119 VanDerWaalsContact O-N 3.11Å; E119-I121 PolarHBondContact O-N 2.88Å
120K30.3Very low30.4Very low207 Ų207149.7 Ų149.790%0.977%0.767SS**  trans-73.189.3177.2-89.9178.5173.5172.60109.7K122K120-K122 PolarHBondContact O-N 2.79Å
121I29.6Very low30.6Very low145 Ų145149.8 Ų149.874%0.74477%0.768SS**  trans-75.8107.1166.2-55.8174.4000107.6E119 S123E119-I121 PolarHBondContact O-N 2.88Å; I121-S123 PolarHBondContact O-N 2.75Å
122K31.3Very low30.8Very low184 Ų184150.9 Ų150.980%0.877%0.77SS**  trans-75.198.9166.2-81.7-178.9177177.80108K120 H124K120-K122 PolarHBondContact O-N 2.79Å; K122-H124 PolarHBondContact O-N 3.44Å
123S29.8Very low31Very low88 Ų88152.4 Ų152.462%0.61577%0.774SS**  trans-74.1116.6169.949.50000110.2I121 N125I121-S123 PolarHBondContact O-N 2.75Å; S123-N125 PolarHBondContact O-N 2.82Å
124H32.8Very low30.9Very low179 Ų179152.2 Ų152.283%0.82977%0.773SS**  trans-90.185.7163.8-81.6-76.2000108.3K122 N126K122-H124 PolarHBondContact O-N 3.44Å; H124-N126 PolarHBondContact O-N 3.29Å
125N29.1Very low31.1Very low132 Ų132151 Ų15171%0.70677%0.772SS**  trans-81.598.5168.6-76.7-10.1000109S123S123-N125 PolarHBondContact O-N 2.82Å
126N34.2Very low31.4Very low152 Ų152151.1 Ų151.181%0.81377%0.769SS**  trans-13073.3158.5-90.5-10.5000107.6H124 T128H124-N126 PolarHBondContact O-N 3.29Å; N126-T128 PolarHBondContact O-N 3.49Å
127I29.8Very low31.6Very low146 Ų146155 Ų15575%0.74978%0.776SS**  trans-76.1107.5163.5-66.7171000105.3
128T31.4Very low31.7Very low101 Ų101154.5 Ų154.562%0.6278%0.78SS**  trans-90.9102.3174-50.40000106.2N126 F130N126-T128 PolarHBondContact O-N 3.49Å; T128-F130 HydrophobicContact CG2-CD2 4.15Å; T128-F130 HydrophobicContact CG2-CE2 3.85Å; T128-F130 PolarHBondContact O-N 3.42Å
129D32.3Very low31.6Very low145 Ų145156.8 Ų156.878%0.77578%0.784SS**  trans-64.8100.8173.6-71.5-31.9000109Q131D129-Q131 PolarHBondContact O-N 3.37Å
130F30.5Very low31.6Very low183 Ų183156 Ų15680%0.80378%0.784SS**  trans-80.8101168.6-87.6-88.3000108.7T128 M132T128-F130 HydrophobicContact CG2-CD2 4.15Å; T128-F130 HydrophobicContact CG2-CE2 3.85Å; T128-F130 PolarHBondContact O-N 3.42Å; F130-M132 PolarHBondContact O-N 3.4Å
131Q32.6Very low31.7Very low179 Ų179152.7 Ų152.784%0.83678%0.776SS**  trans-69.8115.1170.7-121.5166.8-1.700109D129 N133D129-Q131 PolarHBondContact O-N 3.37Å; Q131-N133 PolarHBondContact O-N 3.01Å
132M31.8Very low31.6Very low167 Ų167153.2 Ų153.282%0.82378%0.78SS**  trans-63.4113.6171.3-66.3-75.7-16900108.6F130F130-M132 PolarHBondContact O-N 3.4Å
133N35Very low31.6Very low152 Ų152153.4 Ų153.481%0.81378%0.783SS**  trans-91.794.3164.9-70-37.5000107.1Q131 D135Q131-N133 PolarHBondContact O-N 3.01Å; N133-D135 PolarHBondContact O-N 3.2Å
134D29.5Very low31.4Very low143 Ų143154.4 Ų154.477%0.76579%0.789SS**  trans-78.299.6162.1-70.8-35.1000107.1
135D34Very low31.3Very low149 Ų149151.5 Ų151.580%0.79779%0.789SS**  trans-156.1127.5163.7-92.9-30.1000111.5N133N133-D135 PolarHBondContact O-N 3.2Å
136E35Very low31.2Very low159 Ų159154 Ų15474%0.74380%0.796SS**  trans85.186.7156.6-59.8-65.2153.200119.5T138E136-T138 PolarHBondContact O-N 3.23Å
137E32.3Very low31Very low184 Ų184151.6 Ų151.686%0.8679%0.791SS**  trans-42.699.3147.4-67.1-176.9142.100112.4K139E137-K139 PolarHBondContact O-N 2.82Å
138T34.7Very low30.9Very low138 Ų138150.4 Ų150.485%0.84779%0.791SS**  trans-96.576.2161.635.20000110E136E136-T138 PolarHBondContact O-N 3.23Å
139K29Very low30.9Very low191 Ų191152 Ų15283%0.8380%0.796SS**  trans-56.9127153.6-140.6173.5-169167.50106.8E137E137-K139 PolarHBondContact O-N 2.82Å
140L29.6Very low30.9Very low151 Ų151155.7 Ų155.779%0.79180%0.8SS**  trans178.7122.1143.3-92.6169.7000111.4
141N32Very low30.7Very low138 Ų138152.2 Ų152.274%0.73880%0.798SS**  trans82.694.7144.4-57.8-16.9000120.2
142L27.3Very low30.8Very low157 Ų157151.5 Ų151.582%0.82280%0.799SS**  trans-41.1128.1139.1-85.472.1000111.5
143E31.6Very low30.6Very low188 Ų188152.2 Ų152.288%0.87980%0.801SS**  trans-114.692.7146.8-83.8-174.8161.100107.8
144C24.7Very low30.5Very low109 Ų109154.3 Ų154.374%0.73681%0.806SS**  trans-79.8110.5160.9-880000107.7E146C144-E146 PolarHBondContact O-N 2.97Å
145S32Very low30.5Very low117 Ų117152.3 Ų152.382%0.81880%0.8SS**  trans-81.9105.2168.5-14.90000108.8
146E26.5Very low30.2Very low186 Ų186152.4 Ų152.487%0.86980%0.801SS**  trans-73.6131.3163.5-66.5176154.500110.1C144C144-E146 PolarHBondContact O-N 2.97Å
147S30.2Very low30Very low101 Ų101151.3 Ų151.371%0.70681%0.805SS**  trans-177.6101.4146.736.70000108.9
148T27.3Very low29.8Very low120 Ų120148 Ų14874%0.73680%0.802SS**  75.4123.488520000115.7
149N30.8Very low29.7Very low136 Ų136150.4 Ų150.473%0.72780%0.801SS**  trans75.8105.6152.5-56-30.2000117.4
150Y32.8Very low29.9Very low222 Ų222150.3 Ų150.387%0.87180%0.801SS**  -158.4114.597.4-105.5-84.5000108.9
151C25.5Very low29.9Very low110 Ų110152.6 Ų152.674%0.74381%0.805SS**  trans-81.3123.4162.4-66.70000107.1
152D34.3Very low29.9Very low163 Ų163154.5 Ų154.587%0.87281%0.81SS**  trans-129120.9145.6-85.6-39.9000107.7
153Q28.9Very low30.1Very low182 Ų182155.7 Ų155.785%0.8581%0.811SS**  trans-120.4101.1-168-172.8173.337.600105.5
154E33.1Very low30.1Very low197 Ų197154.9 Ų154.992%0.92181%0.811SS**  trans-123.5123161.2-81.5-159.5160.100110.2
155P30.1Very low30.5Very low100 Ų100154.6 Ų154.665%0.64981%0.81SS**  trans-98147.5-178.835.7-30.6000113
156N27Very low30.5Very low151 Ų151158 Ų15881%0.80781%0.813SS**  trans64.1105150.8-61.3-26.2000118.9
157T31Very low30.8Very low136 Ų136157.7 Ų157.783%0.83481%0.811SS**  -14310312646.80000110.6
158S26.6Very low30.9Very low115 Ų115161.4 Ų161.480%0.80482%0.817SS**  trans-73.2114.7158.7153.30000107.5
159K34Very low30.9Very low189 Ų189165.2 Ų165.282%0.82282%0.824SS**  trans-132.2107164.5-90.6-173.8178.5178.90108.9
160F33.4Very low30.9Very low189 Ų189166.9 Ų166.983%0.82983%0.828SS**  trans16122.2148.8-83.7-94.3000118.6E162F160-E162 PolarHBondContact O-N 2.92Å
161F29.3Very low30.9Very low198 Ų198162.4 Ų162.487%0.86883%0.825SS**  trans-43.9113.8151.8-78.8-100.8000111.1
162E32Very low31.2Very low179 Ų179163.3 Ų163.384%0.83683%0.828SS**  trans-93.1123.6153.6-85.2-179.9164.800107.3F160 I164F160-E162 PolarHBondContact O-N 2.92Å; E162-I164 PolarHBondContact O-N 3.09Å
163H30.8Very low31.1Very low182 Ų182160.2 Ų160.284%0.84383%0.825SS**  trans-60.1123.8174.8-76-92.9000109.4S165H163-S165 PolarHBondContact O-N 2.85Å; H163-S165 VanDerWaalsContact O-N 3.13Å
164I31.9Very low31.3Very low171 Ų171158.9 Ų158.988%0.87782%0.823SS**  trans-70.2105.6170.6-60.2166.7000105.9E162E162-I164 PolarHBondContact O-N 3.09Å
165S33.7Very low31.2Very low103 Ų103156.6 Ų156.672%0.7282%0.815SS**  trans-65.7132.9173.449.50000110H163 E167H163-S165 PolarHBondContact O-N 2.85Å; H163-S165 VanDerWaalsContact O-N 3.13Å; S165-E167 PolarHBondContact O-N 2.8Å
166E31.4Very low31.2Very low189 Ų189157.3 Ų157.388%0.88382%0.818SS**  trans-55.4123.9170.8-69.2170.4162.100110.1E168E166-E168 PolarHBondContact O-N 2.84Å; E166-E168 VanDerWaalsContact O-N 3.14Å
167E32.3Very low31.5Very low178 Ų178156.7 Ų156.783%0.83282%0.815SS**  trans-77.694.4178.1-161.3169-163.300107.7S165 F169S165-E167 PolarHBondContact O-N 2.8Å; E167-F169 PolarHBondContact O-N 2.77Å; E167-F169 VanDerWaalsContact O-N 3.12Å
168E32Very low31.6Very low180 Ų180160.3 Ų160.384%0.84182%0.819SS**  trans-59.2110.8167.2-86.5-177.1145.400108.8E166 E170E166-E168 PolarHBondContact O-N 2.84Å; E166-E168 VanDerWaalsContact O-N 3.14Å; E168-E170 PolarHBondContact O-N 2.98Å
169F29.2Very low32.1Very low200 Ų200162.4 Ų162.488%0.87782%0.822SS**  trans-63.299.2168.3-93.6-95000109.3E167 P171E167-F169 PolarHBondContact O-N 2.77Å; E167-F169 VanDerWaalsContact O-N 3.12Å; F169-P171 VanDerWaalsContact O-CD 3.27Å; F169-P171 WeakPolarHBondContact O-CD 3.4Å
170E30Very low32Very low171 Ų171161 Ų16180%0.79982%0.823SS**  trans-70.2116.9164.2-77.4-167.7159.900109.7E168 T172E168-E170 PolarHBondContact O-N 2.98Å; E170-T172 PolarHBondContact O-N 3.42Å; E170-T172 VanDerWaalsContact O-N 3.09Å
171P33Very low32.1Very low127 Ų127161.7 Ų161.783%0.82583%0.826SS**  trans-70.6108.917227.9-30.4000108.7F169 A173F169-P171 VanDerWaalsContact O-CD 3.27Å; F169-P171 WeakPolarHBondContact O-CD 3.4Å; P171-A173 PolarHBondContact O-N 3.27Å; P171-A173 VanDerWaalsContact O-N 3.11Å
172T31.5Very low32.2Very low129 Ų129158.2 Ų158.279%0.79182%0.821SS**  trans-60.5114.3179.1-37.30000109.7E170 L174E170-T172 PolarHBondContact O-N 3.42Å; E170-T172 VanDerWaalsContact O-N 3.09Å; T172-L174 PolarHBondContact O-N 3.08Å
173A32.2Very low32.3Very low98 Ų98157.6 Ų157.681%0.8182%0.818SS**  trans-61.397.5173.400000110.2P171 I175P171-A173 PolarHBondContact O-N 3.27Å; P171-A173 VanDerWaalsContact O-N 3.11Å; A173-I175 PolarHBondContact O-N 2.92Å
174L32.4Very low32.3Very low155 Ų155154.9 Ų154.981%0.81281%0.814SS**  trans-77.198.4168.8-87163.2000109.6T172T172-L174 PolarHBondContact O-N 3.08Å
175I32.3Very low32.4Very low149 Ų149156.8 Ų156.876%0.76481%0.812SS**  trans48.3108.6134.5-51.9175.9000116.6A173A173-I175 PolarHBondContact O-N 2.92Å
176T29.8Very low32.4Very low115 Ų115159.3 Ų159.371%0.70682%0.816SS**  trans-64.1160.7166.241.50000114.5
177D33.6Very low32.4Very low138 Ų138158.2 Ų158.274%0.73881%0.811SS**  trans85.186.7150.1-53-31.1000119.8
178F33.3Very low32.4Very low211 Ų211157.9 Ų157.993%0.92581%0.809SS**  trans-134.384.9144-98-86.9000108.8
179N35.4Very low32.5Very low160 Ų160155.7 Ų155.786%0.85680%0.803SS**  trans-147.669.1168.8-93.4-24000109.6
180D33.5Very low32.7Very low158 Ų158154.4 Ų154.485%0.84580%0.799SS**  trans-112.382.3164.8-90.9-20.1000108.6
181F35.1Very low33.1Very low205 Ų205151.5 Ų151.590%0.89980%0.796SS**  trans-114.4100.4154.4-88.3-80.1000108.2E183F181-E183 PolarHBondContact O-N 2.64Å
182T29.9Very low33.1Very low125 Ų125151.3 Ų151.377%0.76779%0.794SS**  trans-53.7106.2169.440.10000111.7
183E33.9Very low33.3Very low166 Ų166153.2 Ų153.278%0.77680%0.799SS**  trans-100.7106.3154.7-74.1-166.6173.300108.8F181 Y185F181-E183 PolarHBondContact O-N 2.64Å; E183-Y185 PolarHBondContact O-N 3.34Å
184V32.9Very low33.2Very low124 Ų124154.8 Ų154.875%0.75279%0.794SS**  trans-71.8103.3177.8176.30000107.9I186V184-I186 PolarHBondContact O-N 3.01Å
185Y32.5Very low33.3Very low211 Ų211156.2 Ų156.283%0.82779%0.794SS**  trans-65.3112167.4-80.3-89.8000109.1E183 E187E183-Y185 PolarHBondContact O-N 3.34Å; Y185-E187 PolarHBondContact O-N 2.86Å
186I33.5Very low33.3Very low157 Ų157153.6 Ų153.681%0.80579%0.789SS**  trans-78.1109.9167-62.2175.6000106.9V184 E188V184-I186 PolarHBondContact O-N 3.01Å; I186-E188 PolarHBondContact O-N 2.96Å; I186-E188 VanDerWaalsContact O-N 3.17Å
187E31.4Very low33.2Very low166 Ų166156.4 Ų156.478%0.77679%0.794SS**  trans-69.695.7177.9-161.2170.6-152.500109.7Y185 N189Y185-E187 PolarHBondContact O-N 2.86Å; E187-N189 PolarHBondContact O-N 2.92Å; E187-N189 PolarHBondContact O-ND2 3.39Å
188E33.7Very low33.2Very low170 Ų170156.8 Ų156.879%0.79480%0.801SS**  trans-79.898.3174.4-163.2169.7-169.900109.5I186 H190I186-E188 PolarHBondContact O-N 2.96Å; I186-E188 VanDerWaalsContact O-N 3.17Å; E188-H190 PolarHBondContact O-N 2.71Å
189N34.1Very low32.9Very low135 Ų135154.5 Ų154.572%0.72279%0.794SS**  trans-64.9107.2178.8-74.4-83.2000111.1E187 P191E187-N189 PolarHBondContact O-N 2.92Å; E187-N189 PolarHBondContact O-ND2 3.39Å; N189-P191 WeakPolarHBondContact O-CD 3.4Å
190H33.2Very low32.5Very low172 Ų172151.9 Ų151.980%0.79679%0.787SS**PPolyproline II helixtrans-79.3122.2163.4-79.8-66.7000110.7E188E188-H190 PolarHBondContact O-N 2.71Å
191P37.5Very low32.5Very low111 Ų111151.7 Ų151.772%0.72179%0.786SS**PPolyproline II helixtrans-77.8141.8171.630-31.2000111.2N189N189-P191 WeakPolarHBondContact O-CD 3.4Å
192P34.4Very low32.2Very low122 Ų122149.4 Ų149.479%0.79278%0.782SS**PPolyproline II helixtrans-78.8124.8179.331.4-31000109.8
193N34.6Very low32.6Very low169 Ų169150.3 Ų150.390%0.90478%0.781SS**  trans-101.3109.4173.1-150.89.7000109.6
194D29.5Very low32.4Very low131 Ų131149 Ų14970%0.70178%0.779SS**  trans-63.6154.7173.2-72.6-44.7000112.8
195K35.1Very low32.6Very low185 Ų185150 Ų15080%0.80478%0.78SS**  trans121.398.1143.9-73157.4-172.2178.80117.3
196S32.4Very low32.5Very low95 Ų95148 Ų14866%0.66478%0.779SS**  55.7113.7118.9660000120.1
197E27.3Very low32.3Very low173 Ų173149.8 Ų149.881%0.80878%0.783SS**  34.8116.3125-69.4177.3162.700118.5
198T34.1Very low32.3Very low146 Ų146145.6 Ų145.690%0.89679%0.785SS**  trans-148.1103.5142.5-4.60000109.4
199H27.2Very low32.2Very low164 Ų164146.5 Ų146.576%0.75979%0.789SS**  trans-74.4161.3161.9-76.1-84.7000110.2
200S27.2Very low32.3Very low104 Ų104145 Ų14573%0.72779%0.789SS**  trans98108.5164.8-38.50000114.8
201N33.2Very low32Very low154 Ų154144 Ų14482%0.82479%0.79SS**  -170.2113.5101-81.5-26.1000110
202I29.7Very low31.9Very low158 Ų158146.4 Ų146.481%0.8180%0.795SS**  trans-81.4120.4159-65.9163.8000105.6
203I36.5Very low31.7Very low144 Ų144147.3 Ų147.374%0.73879%0.793SS**  trans-139.9113.4154.1-62.9-174.7000107.1
204D29.7Very low31.3Very low138 Ų138145.4 Ų145.474%0.73879%0.788SS**  trans-54.4138.7161.5-77.1-50.5000110.9
205D37.7Very low31.4Very low146 Ų146143.6 Ų143.678%0.78179%0.79SS**  trans-150.3100.5150.2-89.5-34.2000110.5
206Q31Very low31.1Very low169 Ų169143.1 Ų143.179%0.7979%0.789SS**  trans44.2114.2135-71.9-178.1-11.600121.5
207E29.1Very low31.1Very low193 Ų193146.4 Ų146.490%0.90280%0.798SS**  37.3115119.1-67.4-176.7169.800119
208G31.7Very low31.2Very low78 Ų78145 Ų14580%0.80479%0.791SS**  trans-160.160166.800000111.6S210G208-S210 PolarHBondContact O-N 3.13Å
209E31.3Very low30.8Very low189 Ų189148.8 Ų148.888%0.88379%0.791SS**  trans-77110.8166.9-68.9-175.3175.800109.4
210S35.3Very low31Very low103 Ų103146.9 Ų146.972%0.7280%0.796SS**  trans-123.8100.6165.768.40000110.2G208G208-S210 PolarHBondContact O-N 3.13Å
211N28.1Very low30.9Very low152 Ų152145.1 Ų145.181%0.81379%0.794SS**  trans-72.3116.1165.9-75.1-39.2000109.8
212I34.2Very low30.7Very low162 Ų162145.2 Ų145.283%0.83179%0.793SS**  trans-135.8128.1159.8-52.9178.1000109.8
213N30.4Very low30.7Very low140 Ų140149.3 Ų149.375%0.74980%0.798SS**  trans-66.5148.6-173.9-70.7-46.2000115.1
214T26.6Very low30.4Very low130 Ų130151.4 Ų151.480%0.79881%0.805SS**  trans48.699.9130.1-42.40000118.5
215A32.4Very low30.6Very low92 Ų92150.5 Ų150.576%0.7681%0.81SS**  trans-139.598151.600000110.2L217A215-L217 PolarHBondContact O-N 2.7Å
216K28Very low30.1Very low176 Ų176152.1 Ų152.177%0.76581%0.809SS**  trans-66.2108.1166.2-165.2-178.6-172.9-174.90107.4
217L31.8Very low30.1Very low164 Ų164150.1 Ų150.186%0.85980%0.804SS**  trans-122.1100.1172.2-94.4163.1000109.2A215A215-L217 PolarHBondContact O-N 2.7Å
218E29.4Very low30.4Very low144 Ų144150 Ų15067%0.67381%0.806SS**  trans-75.1139.1168.3-73.3170.9179.800110.2
219Y26.1Very low30.3Very low224 Ų224152 Ų15288%0.87880%0.797SS**  trans46.8110.9147.4-83.9-97.1000119.8
220S31.2Very low30.5Very low125 Ų125150.3 Ų150.387%0.87479%0.794SS**  trans-157.2126.6135.40.80000109.8
221G26.3Very low30.2Very low67 Ų67152 Ų15269%0.69180%0.795SS**  trans-78.5169.9-175.100000115.4
222I28Very low30.5Very low156 Ų156152.6 Ų152.680%0.879%0.793SS**  trans59.896.3147.2-45.4171.2000115.3
223R29.2Very low30.4Very low244 Ų244150.1 Ų150.192%0.92179%0.79SS**  trans-133.7104.1141.4-81.3-171.4175.1179.3-1.8109.4S225R223-S225 PolarHBondContact O-N 2.88Å; R223-S225 VanDerWaalsContact O-N 3.07Å
224E30Very low30.4Very low188 Ų188149.1 Ų149.188%0.87979%0.791SS**  trans-59.198.7154.5-70.2175152.500107.7K226E224-K226 PolarHBondContact O-N 3.22Å
225S34.2Very low30.4Very low119 Ų119151.3 Ų151.383%0.83280%0.797SS**  trans-80.997166.7480000108.6R223R223-S225 PolarHBondContact O-N 2.88Å; R223-S225 VanDerWaalsContact O-N 3.07Å
226K27.9Very low30.3Very low179 Ų179155.3 Ų155.378%0.77880%0.8SS**  trans-56.9152.7154-156.7130.2177.3170.10109.5E224E224-K226 PolarHBondContact O-N 3.22Å
227D31.2Very low30.2Very low128 Ų128150.5 Ų150.568%0.68480%0.801SS**  trans84.692.5166.2-48.6-30.4000116.8
228M35.1Very low30Very low190 Ų190148.6 Ų148.694%0.93680%0.796SS**  trans-141.1109130.7-86.6-98.889.100107.2
229I29.9Very low30Very low120 Ų120147 Ų14762%0.61580%0.801SS**  trans-78.4122.5172.9-66.8159000106.3D231I229-D231 HydrophobicContact CG2-CB 4.27Å; I229-D231 WeakPolarHBondContact CG2-OD2 3.41Å
230D34Very low30Very low154 Ų154144.9 Ų144.982%0.82480%0.803SS**  trans-123.291155.8-109.1-23.2000107.7H232D230-H232 PolarHBondContact O-N 2.61Å
231D29.2Very low30Very low137 Ų137143.8 Ų143.873%0.73380%0.796SS**  trans-79.291.9169.2-81.4-37000108.6I229I229-D231 HydrophobicContact CG2-CB 4.27Å; I229-D231 WeakPolarHBondContact CG2-OD2 3.41Å
232H36.2Very low30.2Very low165 Ų165146 Ų14676%0.76480%0.8SS**  trans-141.1102.2161.1-78.9-54.2000112.6D230D230-H232 PolarHBondContact O-N 2.61Å
233S30.6Very low30.4Very low111 Ų111144.9 Ų144.978%0.77680%0.801SS**  trans85.6142.2144.3-61.40000119.7
234P30.6Very low30.7Very low119 Ų119141.9 Ų141.977%0.77379%0.794SS**  trans-98.5159.5-149.56.815.6000113E236P234-E236 PolarHBondContact O-N 3.41Å; P234-E236 VanDerWaalsContact O-N 3.14Å
235L27Very low30.8Very low175 Ų175140.4 Ų140.492%0.91679%0.791SS**  trans-39.6112.4163-8279.5000112.3
236E30.4Very low30.8Very low176 Ų176141.6 Ų141.682%0.82279%0.788SS**  trans-102.299.5146.8-75.3-164.7166.800107.9P234 T238P234-E236 PolarHBondContact O-N 3.41Å; P234-E236 VanDerWaalsContact O-N 3.14Å; E236-T238 VanDerWaalsContact C-N 3.29Å; E236-T238 PolarHBondContact O-N 3.32Å
237G26Very low31.1Very low76 Ų76141.5 Ų141.578%0.78479%0.791SS**  trans-69.488.916600000109.1S239G237-S239 PolarHBondContact O-N 3.2Å
238T28.5Very low31.2Very low124 Ų124142.9 Ų142.976%0.76180%0.796SS**  trans-77.8113.3166.541.10000109.4E236E236-T238 VanDerWaalsContact C-N 3.29Å; E236-T238 PolarHBondContact O-N 3.32Å
239S28.9Very low31.4Very low111 Ų111139.6 Ų139.678%0.77678%0.782SS**  trans-27.1130.1173-52.20000116G237 S241G237-S239 PolarHBondContact O-N 3.2Å; S239-S241 PolarHBondContact O-N 3.42Å
240L26.4Very low31.5Very low178 Ų178144.3 Ų144.393%0.93279%0.792SS**  trans-52.2104.5156.1-70.2163.7000109S242L240-S242 PolarHBondContact O-N 3.12Å
241S30.6Very low31.6Very low103 Ų103143.6 Ų143.672%0.7279%0.789SS**  trans-76.3108.7163.458.80000108.1S239 V243S239-S241 PolarHBondContact O-N 3.42Å; S241-V243 PolarHBondContact O-N 3.36Å; S241-V243 VanDerWaalsContact O-N 3.11Å
242S30.4Very low31.7Very low112 Ų112146.6 Ų146.678%0.78380%0.795SS**  trans-45.6105.2169.223.20000111.9L240 K244L240-S242 PolarHBondContact O-N 3.12Å; S242-K244 PolarHBondContact O-N 2.98Å
243V32.2Very low31.4Very low134 Ų134144.6 Ų144.681%0.81280%0.798SS**  trans-71.1113.1163.9174.60000106.9S241 I245S241-V243 PolarHBondContact O-N 3.36Å; S241-V243 VanDerWaalsContact O-N 3.11Å; V243-I245 PolarHBondContact O-N 3.48Å
244K34.4Very low31.4Very low180 Ų180147 Ų14778%0.78380%0.797SS**  trans-60116.5178.9-67.1175.7177.7179.20109.1S242S242-K244 PolarHBondContact O-N 2.98Å
245I32.9Very low31.6Very low158 Ų158147.8 Ų147.881%0.8180%0.8SS**  trans-83.2110.1160.3-64.1168.7000104.3V243 E247V243-I245 PolarHBondContact O-N 3.48Å; I245-E247 PolarHBondContact O-N 3.34Å
246D35.5Very low31.9Very low143 Ų143146.5 Ų146.577%0.76580%0.799SS**  trans-63.6106.1172.4-74.3-35.8000108.3I248D246-I248 PolarHBondContact O-N 3.36Å; D246-I248 VanDerWaalsContact O-N 3.15Å
247E32.9Very low31.9Very low178 Ų178144 Ų14483%0.83279%0.791SS**  trans-72.899.5179.6-166.6162.5-16100108.1I245 D249I245-E247 PolarHBondContact O-N 3.34Å; E247-D249 PolarHBondContact O-N 3.27Å
248I34.3Very low32Very low157 Ų157148.6 Ų148.681%0.80579%0.792SS**  trans-63.1111.2171.3-66174.2000107.8D246 R250D246-I248 PolarHBondContact O-N 3.36Å; D246-I248 VanDerWaalsContact O-N 3.15Å; I248-R250 PolarHBondContact O-N 3.14Å; I248-R250 VanDerWaalsContact O-N 3.13Å
249D37.6Very low32.2Very low120 Ų120147.3 Ų147.364%0.64279%0.794SS**  trans-50.8106.1-177.5-166.3-2.1000111.6E247 N251E247-D249 PolarHBondContact O-N 3.27Å; D249-N251 PolarHBondContact O-N 3.32Å; D249-N251 VanDerWaalsContact OD1-CB 3.27Å; D249-N251 WeakPolarHBondContact OD1-CB 3.38Å; D249-N251 VanDerWaalsContact OD1-CG 3.27Å; D249-N251 PolarHBondContact OD1-N 3.11Å; D249-N251 PolarHBondContact OD1-ND2 2.81Å
250R32.7Very low32.4Very low219 Ų219147.6 Ų147.683%0.82680%0.796SS**  trans-84.518.7-176.7-137.8-176.7-58.7177.65.2112.6I248 K252I248-R250 PolarHBondContact O-N 3.14Å; I248-R250 VanDerWaalsContact O-N 3.13Å; R250-K252 PolarHBondContact O-N 3.39Å
251N35.5Very low32.5Very low140 Ų140148.5 Ų148.575%0.74979%0.793SS**THydrogen-bonded Turntrans-93.726.9-171.1-69.2-32.3000115.4D249D249-N251 PolarHBondContact O-N 3.32Å; D249-N251 VanDerWaalsContact OD1-CB 3.27Å; D249-N251 WeakPolarHBondContact OD1-CB 3.38Å; D249-N251 VanDerWaalsContact OD1-CG 3.27Å; D249-N251 PolarHBondContact OD1-N 3.11Å; D249-N251 PolarHBondContact OD1-ND2 2.81Å
252K33Very low32.7Very low200 Ų200151.1 Ų151.187%0.8780%0.798SS**THydrogen-bonded Turntrans-109.214.9174.8-132.5179.2-175.7-178.10115.8R250R250-K252 PolarHBondContact O-N 3.39Å
253C28.7Very low32.9Very low122 Ų122154 Ų15482%0.82480%0.799SS**SBendtrans-131.151.2176.8-70.40000112.7
254E31.1Very low32.8Very low161 Ų161156.1 Ų156.175%0.75281%0.805SS**  trans-158.254.8169.8-135.4167.9-159.300113.8
255T33.7Very low32.8Very low136 Ų136152.5 Ų152.583%0.83480%0.798SS**  trans-138.962.6166.748.70000111.2
256V33.9Very low32.5Very low148 Ų148153.5 Ų153.590%0.89780%0.799SS**  trans-150.473.5141.5-169.70000106.8
257L30.9Very low32.5Very low124 Ų124156 Ų15665%0.64980%0.803SS**  trans-91.2126.9161.5-80.2172.1000108.3
258E27.8Very low32.3Very low173 Ų173154.8 Ų154.881%0.80880%0.798SS**  trans49.486.5140.3-65.3179.6151.100117.1
259A33Very low31.9Very low97 Ų97153.2 Ų153.280%0.80279%0.79SS**  trans-147.672.4157.200000110.7
260S33.1Very low31.5Very low116 Ų116154.8 Ų154.881%0.81180%0.795SS**  trans160.871.5145.6580000111.5
261F28.6Very low31.3Very low198 Ų198150 Ų15087%0.86879%0.792SS**  trans-104.893.8152.7-87.4-83.8000106.3
262D33.8Very low31.1Very low157 Ų157151.8 Ų151.884%0.8480%0.796SS**  trans-173.377.2162.3-93.9-23.6000110.7
263H35.7Very low30.9Very low173 Ų173150 Ų15080%0.80179%0.79SS**  trans-168.296.7138.1-115.149000110.8T265H263-T265 PolarHBondContact O-N 2.87Å
264L29Very low30.9Very low179 Ų179152.6 Ų152.694%0.93779%0.79SS**  trans-65.1119.3152.4-85.5148.5000107.7
265T35Very low31.1Very low103 Ų103151.7 Ų151.763%0.63279%0.79SS**  trans-141.495.1156.8-25.30000108.9H263 K267H263-T265 PolarHBondContact O-N 2.87Å; T265-K267 PolarHBondContact O-N 3.12Å
266E27.1Very low30.9Very low180 Ų180151.8 Ų151.884%0.84179%0.786SS**  trans-6097.1168.9-168.4174.3-162.700108.8
267K35.4Very low30.9Very low195 Ų195150.6 Ų150.685%0.84878%0.778SS**  trans-10295.6167.6-88.6-172.1177.7179.10109.8T265T265-K267 PolarHBondContact O-N 3.12Å
268Q27.9Very low30.8Very low153 Ų153152.5 Ų152.572%0.71578%0.784SS**  trans-50142.9155.8-103.1177.216.300112.5
269I25.5Very low31Very low124 Ų124152.2 Ų152.264%0.63679%0.787SS**  trans81.5100.5141.9-59.1160.9000117.9
270M30.8Very low30.9Very low152 Ų152153 Ų15375%0.74978%0.782SS**  169.1129.7106.6-94.5-70.893.500110.7
271P28.7Very low31Very low118 Ų118156.3 Ų156.377%0.76678%0.784SS**  trans-76.6119.2170.530.9-28.5000109.5
272Q30.1Very low31.2Very low179 Ų179154.8 Ų154.884%0.83679%0.785SS**  trans-105.7116.7172.3-91.4-177-34.900110.3
273H28.9Very low31Very low161 Ų161154.9 Ų154.975%0.74579%0.786SS**  trans48.7109.9145.2-75.6-78.6000119.5D275H273-D275 PolarHBondContact O-N 3.45Å
274H29.3Very low30.8Very low178 Ų178155.9 Ų155.982%0.82479%0.791SS**  trans-49.3112.6142.8-73-65.7000109.7
275D34.6Very low31Very low141 Ų141159.4 Ų159.475%0.75479%0.792SS**  trans-102.4115.1154.6-76.8-28.6000107.1H273 V277H273-D275 PolarHBondContact O-N 3.45Å; D275-V277 PolarHBondContact O-N 3.22Å
276D28.9Very low30.8Very low139 Ų139159 Ų15974%0.74380%0.799SS**  trans-61.395.6175.3-66.2-48.2000109.9H278D276-H278 PolarHBondContact O-N 2.99Å
277V34Very low31.1Very low122 Ų122159.3 Ų159.374%0.73980%0.801SS**  trans-85.196.5163.9-178.20000107.2D275 L279D275-V277 PolarHBondContact O-N 3.22Å; V277-L279 PolarHBondContact O-N 3.31Å
278H30.2Very low30.9Very low165 Ų165158 Ų15876%0.76480%0.803SS**  trans-52.3100162.4-72.4-81.3000109.5D276 T280D276-H278 PolarHBondContact O-N 2.99Å; H278-T280 VanDerWaalsContact C-N 3.33Å; H278-T280 PolarHBondContact O-N 3.21Å; H278-T280 VanDerWaalsContact O-N 3.15Å
279L31.2Very low31.1Very low166 Ų166158.5 Ų158.587%0.86981%0.81SS**  trans-76.793.2161.3-74.7165.9000107V277 E281V277-L279 PolarHBondContact O-N 3.31Å; L279-E281 PolarHBondContact O-N 3.1Å
280T32Very low31.4Very low114 Ų114162.4 Ų162.470%0.69982%0.823SS**  trans-62.5118164.538.30000109.3H278 D282H278-T280 VanDerWaalsContact C-N 3.33Å; H278-T280 PolarHBondContact O-N 3.21Å; H278-T280 VanDerWaalsContact O-N 3.15Å; T280-D282 PolarHBondContact O-N 3.37Å
281E34.4Very low31.5Very low185 Ų185164.2 Ų164.286%0.86483%0.829SS**  trans8.491.8142.4-66.7165.4173.200116.1L279L279-E281 PolarHBondContact O-N 3.1Å
282D33Very low31.7Very low166 Ų166167.7 Ų167.789%0.88884%0.835SS**  trans-126.770.4156-87.9-29.9000107.1T280T280-D282 PolarHBondContact O-N 3.37Å
283N28.8Very low31.7Very low160 Ų160166 Ų16686%0.85684%0.837SS**  trans-134.153.9177-143.926.2000110.5
284E32.6Very low31.9Very low194 Ų194163.7 Ų163.791%0.90784%0.835SS**  trans-131.765.9166.5-78.8-169.8168.900109.3
285R31.7Very low32.2Very low252 Ų252164.1 Ų164.195%0.95184%0.837SS**  trans-159.257.5167.5-137.9-179.7-81.3-131.12.4112.6
286A31.8Very low32.2Very low96 Ų96165.5 Ų165.579%0.79384%0.839SS**SBendtrans-138.7-7.5169.700000114.9
287E32.4Very low32.3Very low185 Ų185167.9 Ų167.986%0.86485%0.846SS**SBendtrans-105.489.8171.3-67-171.6178.600109
288N31.8Very low32.4Very low168 Ų168168.3 Ų168.390%0.89885%0.848SS**  trans-171.937.9160.9-95.5-18.7000112.1
289L33.1Very low32.5Very low163 Ų163167.3 Ų167.385%0.85385%0.846SS**SBendtrans-124.116.7178.4-119.8144.2000114.2
290F31.1Very low32.4Very low207 Ų207166.9 Ų166.991%0.90884%0.844SS**SBendtrans-131.972.6169.4-92-83.9000109.8
291E33.2Very low32.3Very low189 Ų189169.3 Ų169.388%0.88385%0.852SS**SBendtrans-176.663.6157.9-107.9175.3-153.800109.7
292Q32.6Very low32Very low191 Ų191166.9 Ų166.989%0.89385%0.85SS**  trans-163.158.3165.1-118.4172.257.800112
293T30.7Very low31.9Very low143 Ų143167.6 Ų167.688%0.87785%0.848SS**  trans-111.2104.515235.90000107.2
294T33.6Very low31.9Very low114 Ų114170.7 Ų170.770%0.69985%0.848SS**  trans-54141.9178.736.50000111.5E296T294-E296 PolarHBondContact O-N 3.05Å
295Q33.7Very low31.8Very low186 Ų186166.6 Ų166.687%0.86984%0.841SS**THydrogen-bonded Turntrans-6427.6-178.9-115.1175.9-12.300115.3
296E34.5Very low31.8Very low170 Ų170163.5 Ų163.579%0.79484%0.837SS**THydrogen-bonded Turntrans-99-5.8-169-139.1168-168.100114.6T294T294-E296 PolarHBondContact O-N 3.05Å
297E32.3Very low31.7Very low190 Ų190168.1 Ų168.189%0.88884%0.842SS**SBendtrans-101.23.7178.2-112.5179.817500115.4
298V35.2Very low31.6Very low130 Ų130166.9 Ų166.979%0.78884%0.841SS**SBendtrans-95.41.1177.2-167.90000112.7
299M33.3Very low31.7Very low145 Ų145164.3 Ų164.371%0.71483%0.833SS**SBendtrans-94.5-0.2-173.5-76.2-81.3-73.800115.8
300N28.7Very low31.6Very low157 Ų157162.9 Ų162.984%0.8483%0.831SS**SBendtrans-111.344.1-178-80.4-11.7000114.2
301L29.3Very low31.7Very low165 Ų165159.5 Ų159.586%0.86482%0.823SS**  trans-14454.1158-70.9177.4000110
302T29Very low31.7Very low134 Ų134158.3 Ų158.382%0.82282%0.817SS**  trans-100.273.1158.9-54.70000107.6R304T302-R304 PolarHBondContact O-N 2.79Å; T302-R304 VanDerWaalsContact O-N 3.16Å
303E30.8Very low31.9Very low181 Ų181155.2 Ų155.285%0.84681%0.806SS**  trans-77.7100.5169-158.4167-15500108.3S305E303-S305 PolarHBondContact O-N 3.14Å
304R27.7Very low32Very low224 Ų224155.6 Ų155.685%0.84580%0.803SS**  trans7.596.8153.4-159.7173.3-168.11570.3114.8T302 E306T302-R304 PolarHBondContact O-N 2.79Å; T302-R304 VanDerWaalsContact O-N 3.16Å; R304-E306 PolarHBondContact O-N 3.07Å
305S30.8Very low32Very low109 Ų109156.5 Ų156.576%0.76280%0.803SS**  trans-52.4109.3162.156.70000109.4E303 Q307E303-S305 PolarHBondContact O-N 3.14Å; S305-Q307 PolarHBondContact O-N 3.06Å
306E33Very low32Very low187 Ų187152.6 Ų152.687%0.87479%0.793SS**  trans-60.8125167.9-70.6-171.4150.900108.9R304 L308R304-E306 PolarHBondContact O-N 3.07Å; E306-L308 PolarHBondContact O-N 2.75Å
307Q29.4Very low32Very low193 Ų193153 Ų15390%0.90279%0.793SS**  trans-63.8100.7174.2-75.6169.9-34.400108.9S305 P309S305-Q307 PolarHBondContact O-N 3.06Å; Q307-P309 WeakPolarHBondContact O-CD 3.27Å
308L29.4Very low32Very low159 Ų159150.9 Ų150.983%0.83279%0.788SS**  trans-74121161.7-149.479.9000107.4E306 T310E306-L308 PolarHBondContact O-N 2.75Å; L308-T310 PolarHBondContact O-N 2.81Å
309P34.1Very low31.8Very low114 Ų114153.5 Ų153.574%0.7479%0.789SS**  trans-68.2119.4-176.925.2-31.3000110.6Q307 D311Q307-P309 WeakPolarHBondContact O-CD 3.27Å; P309-D311 PolarHBondContact O-N 3.34Å
310T30.9Very low31.8Very low133 Ų133151.8 Ų151.882%0.81679%0.786SS**  trans-63.797.6167.1-36.10000108.5L308 E312L308-T310 PolarHBondContact O-N 2.81Å; T310-E312 PolarHBondContact O-N 3.26Å
311D33.1Very low31.8Very low136 Ų136149.5 Ų149.573%0.72778%0.777SS**  trans-85.7100.3165.8-162.119.8000107.7P309 N313P309-D311 PolarHBondContact O-N 3.34Å; D311-N313 PolarHBondContact O-N 2.74Å
312E34.3Very low31.9Very low163 Ų163149.1 Ų149.176%0.76277%0.771SS**  trans-58.990.7171.2-72.5174.4151.900109.7T310T310-E312 PolarHBondContact O-N 3.26Å
313N36.4Very low32Very low126 Ų126148.9 Ų148.967%0.67477%0.765SS**  trans-103.387157.4-76.8-62.7000108.5D311 I315D311-N313 PolarHBondContact O-N 2.74Å; N313-I315 PolarHBondContact O-N 2.94Å
314D32.8Very low32.1Very low151 Ų151147.6 Ų147.681%0.80776%0.762SS**  trans-5297.4163.4-77-37.9000110.2
315I33.3Very low32Very low134 Ų134143.3 Ų143.369%0.68776%0.756SS**  trans-112.8107.6161.6-57.7179.7000107.3N313 F317N313-I315 PolarHBondContact O-N 2.94Å; I315-F317 PolarHBondContact O-N 2.98Å
316P34.3Very low32Very low104 Ų104147.1 Ų147.168%0.67576%0.761SS**  trans-70.6116-179.626.7-30.2000109.8D318P316-D318 PolarHBondContact O-N 3.48Å; P316-D318 VanDerWaalsContact O-N 3.08Å
317F33.3Very low32Very low179 Ų179147.6 Ų147.679%0.78576%0.764SS**  trans-7392.6167-86.9-93000109.1I315 F319I315-F317 PolarHBondContact O-N 2.98Å; F317-F319 HydrophobicContact CB-CE2 4.47Å; F317-F319 PolarHBondContact O-N 3.09Å; F317-F319 VanDerWaalsContact O-N 3.07Å
318D32.6Very low32Very low145 Ų145145.9 Ų145.978%0.77577%0.766SS**  trans-69.297.6168.5-86.7-23000109.7P316 V320P316-D318 PolarHBondContact O-N 3.48Å; P316-D318 VanDerWaalsContact O-N 3.08Å; D318-V320 PolarHBondContact O-N 2.77Å
319F30.8Very low31.9Very low185 Ų185141.8 Ų141.881%0.81176%0.762SS**  trans-69.294165-83.4-92.3000109.4F317 V321F317-F319 HydrophobicContact CB-CE2 4.47Å; F317-F319 PolarHBondContact O-N 3.09Å; F317-F319 VanDerWaalsContact O-N 3.07Å; F319-V321 PolarHBondContact O-N 3.29Å
320V33.7Very low31.5Very low108 Ų108139.4 Ų139.466%0.65576%0.759SS**  trans-80.997.8165.9-1790000108.4D318 H322D318-V320 PolarHBondContact O-N 2.77Å; V320-H322 PolarHBondContact O-N 3.45Å
321V28.8Very low31.5Very low109 Ų109140.2 Ų140.266%0.66176%0.758SS**  trans-64.1104.6169.6179.40000108.5F319 D323F319-V321 PolarHBondContact O-N 3.29Å; V321-D323 PolarHBondContact O-N 2.79Å
322H31.4Very low31.2Very low157 Ų157142.5 Ų142.573%0.72777%0.769SS**  trans-91.194.2161.7-83.8-55.9000108.9V320 I324V320-H322 PolarHBondContact O-N 3.45Å; H322-I324 PolarHBondContact O-N 3.18Å; H322-I324 VanDerWaalsContact O-N 3.16Å
323D30.2Very low31Very low130 Ų130140.9 Ų140.970%0.69577%0.766SS**  trans-56.5107.9157.9-88.2-34.3000109V321V321-D323 PolarHBondContact O-N 2.79Å
324I33.1Very low30.5Very low153 Ų153146.2 Ų146.279%0.78578%0.776SS**  trans-128.680159.1-40.3177.1000106.5H322H322-I324 PolarHBondContact O-N 3.18Å; H322-I324 VanDerWaalsContact O-N 3.16Å
325N27.5Very low30.3Very low135 Ų135147.1 Ų147.172%0.72278%0.78SS**  trans-75.4151159.6-75.7-57.3000108.9
326E30.4Very low29.9Very low188 Ų188145.9 Ų145.988%0.87978%0.783SS**  trans97.289.4172.1-57.7-17516500116.9
327E32.7Very low29.8Very low197 Ų197147.4 Ų147.492%0.92179%0.79SS**  -170.898.2106-108.7-176.516100109.9
328V28.5Very low29.5Very low158 Ų158142.2 Ų142.296%0.95879%0.787SS**  trans-98.1108.6163.31740000106.2
329G28.1Very low29.1Very low72 Ų72138.9 Ų138.974%0.74279%0.787SS**  trans-168.478.4-177.400000114.6
330G26.4Very low29.1Very low65 Ų65136.8 Ų136.867%0.6779%0.79SS**  trans67109.4140.600000119.4
331N29.4Very low29Very low149 Ų149140.4 Ų140.480%0.79780%0.799SS**  165.690.2110.8-82.4-20000109.7D333N331-D333 PolarHBondContact O-N 2.82Å; N331-D333 VanDerWaalsContact O-N 3.15Å
332L27.2Very low29Very low184 Ų184138.3 Ų138.396%0.96380%0.799SS**  trans-78.377.9160.2-82.2162000108
333D29.7Very low29Very low129 Ų129137.9 Ų137.969%0.6980%0.802SS**  trans-105.8105168.1-101.9-25000109.9N331N331-D333 PolarHBondContact O-N 2.82Å; N331-D333 VanDerWaalsContact O-N 3.15Å
334R25.7Very low28.9Very low238 Ų238139.2 Ų139.290%0.89881%0.808SS**  trans26.598.3142.9-72.7175.8164.5-159-3.8116.2
335I28.9Very low28.6Very low171 Ų171140 Ų14088%0.87781%0.809SS**  trans-105.5108.6148.4-58.3179.2000107.2
336S25.7Very low28.8Very low107 Ų107139 Ų13975%0.74881%0.807SS**  trans-55126.4-179.3-173.90000111.9G338S336-G338 PolarHBondContact O-N 2.94Å; S336-G338 VanDerWaalsContact O-N 3.12Å
337T31.5Very low28.9Very low136 Ų136135.9 Ų135.983%0.83480%0.803SS**  trans-59.4109162.241.90000109G339T337-G339 PolarHBondContact O-N 3.11Å
338G26.7Very low28.9Very low70 Ų70134 Ų13472%0.72280%0.799SS**  trans-71.2110.9172.200000109.9S336 V340S336-G338 PolarHBondContact O-N 2.94Å; S336-G338 VanDerWaalsContact O-N 3.12Å; G338-V340 PolarHBondContact O-N 2.78Å
339G25.6Very low29.1Very low76 Ų76135.1 Ų135.178%0.78479%0.794SS**  trans-67.3119.4167.100000109.7T337T337-G339 PolarHBondContact O-N 3.11Å
340V30Very low29.3Very low141 Ų141141 Ų14186%0.85580%0.799SS**  trans-98.5105.8164.2177.60000106.1G338 G342G338-V340 PolarHBondContact O-N 2.78Å; V340-G342 PolarHBondContact O-N 2.68Å
341E30.5Very low29.7Very low184 Ų184143.7 Ų143.786%0.8680%0.801SS**  trans-62.794.8171.5-67.6174.5157.700109.2N343E341-N343 PolarHBondContact O-N 2.72Å
342G28.8Very low29.7Very low64 Ų64144.6 Ų144.666%0.6680%0.801SS**  trans-81.8103.316800000109.4V340 I344V340-G342 PolarHBondContact O-N 2.68Å; G342-I344 PolarHBondContact O-N 2.71Å; G342-I344 VanDerWaalsContact O-N 3.14Å
343N31.6Very low29.9Very low148 Ų148140.9 Ų140.979%0.79179%0.786SS**  trans-54116.6174.1-72.9-23.2000110.5E341 Q345E341-N343 PolarHBondContact O-N 2.72Å; N343-Q345 PolarHBondContact O-N 2.92Å
344I28.6Very low30Very low158 Ų158143.9 Ų143.981%0.8179%0.793SS**  trans-65.798.1172-59.6170.9000107.1G342 T346G342-I344 PolarHBondContact O-N 2.71Å; G342-I344 VanDerWaalsContact O-N 3.14Å; I344-T346 PolarHBondContact O-N 2.79Å; I344-T346 VanDerWaalsContact O-N 3.08Å
345Q28.1Very low30.2Very low171 Ų171140 Ų14080%0.79978%0.783SS**  trans-69.4102.4172.6-162.2100.427.700107.2N343N343-Q345 PolarHBondContact O-N 2.92Å
346T31.1Very low30.3Very low112 Ų112141 Ų14169%0.68778%0.784SS**  trans-59.1135.9174.721.40000109.7I344 L348I344-T346 PolarHBondContact O-N 2.79Å; I344-T346 VanDerWaalsContact O-N 3.08Å; T346-L348 PolarHBondContact O-N 3.35Å
347P32.9Very low30.6Very low123 Ų123144.9 Ų144.980%0.79978%0.783SS**  trans-58.4123.8-179.1-19.429.4000109.8E349P347-E349 PolarHBondContact O-N 3.32Å
348L32.3Very low30.6Very low158 Ų158145.3 Ų145.383%0.82778%0.781SS**  trans-55.8113.8170.7-112.590.5000108.2T346 K350T346-L348 PolarHBondContact O-N 3.35Å; L348-K350 PolarHBondContact O-N 2.88Å
349E31.7Very low30.9Very low182 Ų182148.2 Ų148.285%0.8578%0.778SS**  trans-48.3113.2165.3-103.6179.7154.800108.5P347 V351P347-E349 PolarHBondContact O-N 3.32Å; E349-V351 PolarHBondContact O-N 3.22Å
350K33.1Very low31.2Very low196 Ų196149.4 Ų149.485%0.85277%0.774SS**  trans-65.698.9172.7-75.7-179.5179.1175.50107.7L348 E352L348-K350 PolarHBondContact O-N 2.88Å; K350-E352 VanDerWaalsContact C-N 3.32Å; K350-E352 PolarHBondContact O-N 3.36Å
351V33.9Very low31.3Very low120 Ų120147.8 Ų147.873%0.72777%0.765SS**  trans-64.195.4166.5179.90000107.4E349 T353E349-V351 PolarHBondContact O-N 3.22Å; V351-T353 VanDerWaalsContact C-N 3.34Å; V351-T353 PolarHBondContact O-N 3.39Å; V351-T353 PolarHBondContact O-OG1 2.87Å
352E29.9Very low31.5Very low169 Ų169143.7 Ų143.779%0.7976%0.757SS**  trans-6296.6170.1-75.1-173.2166.300108.9K350 K354K350-E352 VanDerWaalsContact C-N 3.32Å; K350-E352 PolarHBondContact O-N 3.36Å; E352-K354 PolarHBondContact O-N 2.9Å
353T32.2Very low31.7Very low105 Ų105146.8 Ų146.864%0.64476%0.763SS**  trans-74.298.1174.5-100000107.5V351 F355V351-T353 VanDerWaalsContact C-N 3.34Å; V351-T353 PolarHBondContact O-N 3.39Å; V351-T353 PolarHBondContact O-OG1 2.87Å; T353-F355 WeakPolarHBondContact O-CD2 3.5Å; T353-F355 PolarHBondContact O-N 3.27Å
354K30.4Very low31.8Very low192 Ų192147 Ų14784%0.83576%0.763SS**  trans-64.7101.7170.5-71.8-178.6179.41770108.8E352 E356E352-K354 PolarHBondContact O-N 2.9Å; K354-E356 PolarHBondContact O-N 3.42Å
355F30.8Very low31.9Very low158 Ų158147 Ų14769%0.69376%0.76SS**  trans-77.696.1166.1-76.6-84.2000108.7T353 Y357T353-F355 WeakPolarHBondContact O-CD2 3.5Å; T353-F355 PolarHBondContact O-N 3.27Å; F355-Y357 HydrophobicContact CB-CD2 4.32Å; F355-Y357 HydrophobicContact CB-CE2 3.98Å; F355-Y357 PolarHBondContact O-N 3.44Å
356E31.9Very low32.1Very low190 Ų190144.6 Ų144.689%0.88876%0.759SS**  trans-75.998.7168.1-147.3166.4-150.200107.2K354 D358K354-E356 PolarHBondContact O-N 3.42Å; E356-D358 PolarHBondContact O-N 2.93Å
357Y31.4Very low32.2Very low189 Ų189147.7 Ų147.774%0.74177%0.766SS**  trans-73.298.8175.5-79.3-85.4000109.5F355 I359F355-Y357 HydrophobicContact CB-CD2 4.32Å; F355-Y357 HydrophobicContact CB-CE2 3.98Å; F355-Y357 PolarHBondContact O-N 3.44Å; Y357-I359 PolarHBondContact O-N 3.39Å
358D32.3Very low32.1Very low146 Ų146149.1 Ų149.178%0.78177%0.767SS**  trans-78.975169.7-142.2-5.2000108.6E356 S360E356-D358 PolarHBondContact O-N 2.93Å; D358-S360 PolarHBondContact O-N 2.95Å
359I31.1Very low32Very low131 Ų131145.9 Ų145.967%0.67277%0.771SS**  trans-78.869.1174.7-48.6179.8000108.1Y357 T361Y357-I359 PolarHBondContact O-N 3.39Å; I359-T361 WeakPolarHBondContact CG2-OG1 3.32Å; I359-T361 PolarHBondContact O-N 2.79Å
360S33.8Very low31.9Very low100 Ų100142.6 Ų142.670%0.69977%0.769SS**  trans-89.959.2161.9-67.30000108.7D358 S362D358-S360 PolarHBondContact O-N 2.95Å; S360-S362 PolarHBondContact O-N 2.88Å
361T32.1Very low31.7Very low108 Ų108136.8 Ų136.866%0.66376%0.764SS**  trans-76.396.5168.818.20000109I359 V363I359-T361 WeakPolarHBondContact CG2-OG1 3.32Å; I359-T361 PolarHBondContact O-N 2.79Å; T361-V363 PolarHBondContact O-N 3.42Å; T361-V363 VanDerWaalsContact O-N 3.1Å
362S33.4Very low31.7Very low98 Ų98141.1 Ų141.169%0.68577%0.773SS**  trans-21.2102.1153.550.30000113.4S360 D364S360-S362 PolarHBondContact O-N 2.88Å; S362-D364 PolarHBondContact O-N 3.2Å
363V33Very low31.7Very low129 Ų129142 Ų14278%0.78278%0.777SS**  trans-81.9105.6159.4174.80000106T361 Q365T361-V363 PolarHBondContact O-N 3.42Å; T361-V363 VanDerWaalsContact O-N 3.1Å; V363-Q365 PolarHBondContact O-N 3.02Å
364D33.3Very low31.7Very low151 Ų151145.2 Ų145.281%0.80779%0.79SS**  trans-53.399.6172.6-75-39.6000109.8S362 P366S362-D364 PolarHBondContact O-N 3.2Å; D364-P366 WeakPolarHBondContact O-CD 3.36Å
365Q30.3Very low31.8Very low158 Ų158143.5 Ų143.574%0.73879%0.785SS**  trans-85.6121165.4-73.1-153.6-28.200108.6V363 E367V363-Q365 PolarHBondContact O-N 3.02Å; Q365-E367 PolarHBondContact O-N 2.8Å
366P33Very low31.8Very low121 Ų121141.9 Ų141.979%0.78679%0.788SS**  trans-72.895.9168.428.9-30.3000108.3D364 N368D364-P366 WeakPolarHBondContact O-CD 3.36Å; P366-N368 PolarHBondContact O-N 3.15Å
367E32.5Very low31.6Very low178 Ų178140.7 Ų140.783%0.83278%0.782SS**  trans-71.5122.6166.9-81.7-161.5159.100110.1Q365 G369Q365-E367 PolarHBondContact O-N 2.8Å; E367-G369 PolarHBondContact O-N 3.07Å; E367-G369 VanDerWaalsContact O-N 3.1Å
368N32.4Very low31.7Very low153 Ų153137.5 Ų137.582%0.81878%0.782SS**  trans-55.4106.6177.9-66.7-62.9000111.6P366 S370P366-N368 PolarHBondContact O-N 3.15Å; N368-S370 VanDerWaalsContact C-N 3.31Å; N368-S370 PolarHBondContact O-N 2.75Å
369G29.1Very low31.4Very low89 Ų89138.6 Ų138.692%0.91879%0.788SS**  trans-7281.8167.200000111.6E367E367-G369 PolarHBondContact O-N 3.07Å; E367-G369 VanDerWaalsContact O-N 3.1Å
370S29.8Very low31.6Very low113 Ų113140.1 Ų140.179%0.7979%0.792SS**  trans-108.2115.4162.567.10000109.2N368N368-S370 VanDerWaalsContact C-N 3.31Å; N368-S370 PolarHBondContact O-N 2.75Å
371G29Very low31.4Very low74 Ų74142.3 Ų142.376%0.76380%0.796SS**  trans15951.8173.500000116.6
372K35Very low31.1Very low211 Ų211146.1 Ų146.192%0.91781%0.806SS**  trans-127.192.7154.9-76-169.5179.5177.50110.2L374K372-L374 PolarHBondContact O-N 2.64Å
373Q29.3Very low31.1Very low187 Ų187150.4 Ų150.487%0.87482%0.816SS**  trans-31.8117.1149.8-97.6169.9-18.200111.2
374L32.7Very low30.9Very low173 Ų173152.1 Ų152.191%0.90682%0.815SS**  trans-125.1121.1145.2-93.1166.1000107.7K372K372-L374 PolarHBondContact O-N 2.64Å
375H30.6Very low30.4Very low156 Ų156150.7 Ų150.772%0.72281%0.806SS**  trans-99.3102.8-168.9-164.473.1000106.4
376T31Very low30.5Very low125 Ų125151.1 Ų151.177%0.76781%0.808SS**  trans-140.495.7164.5-43.60000108.9
377Q28Very low30.3Very low165 Ų165152 Ų15277%0.77181%0.806SS**  trans-64128.1158.4-68.1177.3-19.700108.8
378V33.1Very low30.2Very low121 Ų121149.3 Ų149.373%0.73380%0.802SS**  trans-152.793.7141-177.20000107.2Q380V378-Q380 HydrophobicContact CG1-CB 4.49Å; V378-Q380 HydrophobicContact CG1-CG 4.41Å
379D27.3Very low30.1Very low169 Ų169148.3 Ų148.390%0.90480%0.803SS**  trans-81.6108.4156.4-79.8-41.7000107.4
380Q35.3Very low30.2Very low164 Ų164148.9 Ų148.977%0.76679%0.793SS**  trans-149.6106.1158.3-70.6-162.5-12.300111V378V378-Q380 HydrophobicContact CG1-CB 4.49Å; V378-Q380 HydrophobicContact CG1-CG 4.41Å
381N29.1Very low30.1Very low145 Ų145152.5 Ų152.578%0.77580%0.798SS**  50.3114.6128.3-60.4-13.9000120.6
382E24.9Very low30.1Very low188 Ų188154 Ų15488%0.87980%0.797SS**  29.8108.4119.7-61.6-176.9168.700118.8
383E33.9Very low29.6Very low188 Ų188152.3 Ų152.388%0.87979%0.791SS**  trans-165.899.2142.5-124.5176.2175.700107.2
384E28.5Very low29.5Very low165 Ų165150.2 Ų150.277%0.77179%0.792SS**  63.397.189.9-150.3172.3-164.800114.8
385I24.3Very low29.3Very low122 Ų122145.9 Ų145.963%0.62679%0.789SS**  trans48.1115.5136.9-49.4169.1000117.6
386H32.6Very low29.3Very low166 Ų166142.8 Ų142.877%0.76979%0.79SS**  -179.2115.4122.4-92.8-57.7000113.6
387N28.2Very low29.3Very low141 Ų141148.1 Ų148.175%0.75480%0.798SS**  trans26.299.8137.3-63.5-20.5000119.8
388V31.2Very low29.5Very low121 Ų121147.1 Ų147.173%0.73380%0.796SS**  trans-151.2119.7135-173.50000109S390V388-S390 WeakPolarHBondContact CG1-OG 3.43Å
389P29.1Very low29.5Very low132 Ų132146.5 Ų146.586%0.85780%0.797SS**  trans-86.2106.5165.518.5-2.9000108.9
390S31.2Very low29.7Very low100 Ų100147.2 Ų147.270%0.69979%0.793SS**  trans-112.7120.4171.5-54.30000109.2V388V388-S390 WeakPolarHBondContact CG1-OG 3.43Å
391E27Very low29.6Very low190 Ų190142.5 Ų142.589%0.88878%0.781SS**  trans-56.5130177.7-62.3166.8144.600112.4
392S29.1Very low29.6Very low106 Ų106142.6 Ų142.674%0.74178%0.782SS**  trans-173.7107.6144.236.50000112.1
393H25.3Very low30.1Very low174 Ų174143.7 Ų143.781%0.80678%0.78SS**  trans28109.7131.1-65.272.5000118.5
394T28.1Very low30.1Very low144 Ų144139.3 Ų139.388%0.88377%0.77SS**  164.3127.6109.735.90000112.2
395G27.9Very low30.5Very low82 Ų82140.1 Ų140.185%0.84577%0.771SS**  trans69.296.3140.900000120.5
396A31.4Very low31.1Very low90 Ų90141 Ų14174%0.74478%0.777SS**  trans-166.4110.8134.600000111.5
397Y30.7Very low31.2Very low238 Ų238139 Ų13993%0.93378%0.776SS**  trans39.291.1144.2-77.2-95000118.3S399Y397-S399 PolarHBondContact O-N 2.88Å
398I32.4Very low31.5Very low143 Ų143141.1 Ų141.173%0.73378%0.781SS**  trans-80113.6159.6-52.8173.2000107.2F400I398-F400 WeakPolarHBondContact O-CD2 3.05Å; I398-F400 PolarHBondContact O-N 3.35Å; I398-F400 VanDerWaalsContact O-N 3.15Å
399S31.8Very low31.5Very low108 Ų108144.3 Ų144.376%0.75579%0.785SS**  trans-49.3106.3164.8157.90000110.8Y397 A401Y397-S399 PolarHBondContact O-N 2.88Å; S399-A401 PolarHBondContact O-N 3.16Å
400F32.6Very low31.7Very low185 Ų185143.4 Ų143.481%0.81178%0.78SS**  trans-84.1100.7166.1-76.2-80.7000108.6I398I398-F400 WeakPolarHBondContact O-CD2 3.05Å; I398-F400 PolarHBondContact O-N 3.35Å; I398-F400 VanDerWaalsContact O-N 3.15Å
401A31.6Very low31.8Very low64 Ų64143.1 Ų143.153%0.52978%0.784SS.*  trans-81140.2159.700000109.4S399S399-A401 PolarHBondContact O-N 3.16Å
402D29.8Very low32.1Very low148 Ų148140.4 Ų140.479%0.79178%0.78SS**  trans55.288.1146.9-54.2-23.1000119.2
403Y35.5Very low32.3Very low211 Ų211143 Ų14383%0.82778%0.78SS**  trans-120.180.9142.2-72.2-78000109.1K405Y403-K405 PolarHBondContact O-N 3.25Å
404S33.9Very low32.7Very low95 Ų95143.4 Ų143.466%0.66478%0.782SS**  trans-67.5113.8157.7-162.30000107.4D406S404-D406 PolarHBondContact OG-OD1 2.95Å
405K37.4Very low32.9Very low182 Ų182144.3 Ų144.379%0.79178%0.777SS**  trans-106.896.5162.1-80.3-174.4179.41790106.4Y403 V407Y403-K405 PolarHBondContact O-N 3.25Å; K405-V407 PolarHBondContact O-N 3.31Å
406D35.9Very low32.9Very low142 Ų142147.8 Ų147.876%0.75977%0.774SS**  trans-61110.4169-54.8-43.8000107.8S404S404-D406 PolarHBondContact OG-OD1 2.95Å
407V34.8Very low33Very low123 Ų123149.6 Ų149.675%0.74578%0.776SS**  trans-99.495.1166.8178.70000105.9K405K405-V407 PolarHBondContact O-N 3.31Å
408E33.8Very low33.1Very low185 Ų185143.5 Ų143.586%0.86476%0.764SS**  trans-72119.8-179-159.1170-157.900109.5
409F31.2Very low33Very low188 Ų188145.1 Ų145.183%0.82577%0.768SS**  trans-78.5130.2173.3-77.6-91.1000109.4A411F409-A411 PolarHBondContact O-N 3.4Å
410P33.9Very low33Very low113 Ų113150.9 Ų150.973%0.73478%0.775SS**  trans-73111.3175.727.8-30.5000109.9V412P410-V412 PolarHBondContact O-N 3.1Å
411A33.7Very low32.9Very low95 Ų95150.1 Ų150.179%0.78577%0.774SS**  trans-70.7112.7163.200000108.3F409 E413F409-A411 PolarHBondContact O-N 3.4Å; A411-E413 PolarHBondContact O-N 3.09Å
412V32.9Very low32.9Very low133 Ų133151.6 Ų151.681%0.80678%0.781SS**  trans-81.6107.6174.5177.80000107.5P410P410-V412 PolarHBondContact O-N 3.1Å
413E34.8Very low33Very low160 Ų160152 Ų15275%0.74878%0.777SS**  trans-71.8121.9174-71-179.4160.400110.6A411 Q415A411-E413 PolarHBondContact O-N 3.09Å; E413-Q415 PolarHBondContact O-N 2.98Å
414E32.2Very low33Very low182 Ų182153.7 Ų153.785%0.8578%0.782SS**  trans-69.1103.7169-69.1-179.2158.700109.6
415Q33.2Very low33Very low164 Ų164159 Ų15977%0.76679%0.793SS**  trans-88.3109168.8-69.9-166.99.200110.2E413E413-Q415 PolarHBondContact O-N 2.98Å
416I28.3Very low32.9Very low155 Ų155159 Ų15980%0.79580%0.796SS**  trans-84.1112.5170.1-47.6163.1000106.2
417T33.4Very low32.9Very low127 Ų127161.7 Ų161.778%0.77980%0.801SS**  trans-113.2124.1168.845.20000110.4
418T32.2Very low32.8Very low111 Ų111162.8 Ų162.868%0.68180%0.803SS**  trans-78146.7-176.634.10000112.5
419E30.6Very low32.8Very low177 Ų177161.1 Ų161.183%0.82780%0.8SS**  trans59.7107.4140.2-64.3169.6-164.800118.8
420Y30.9Very low32.6Very low229 Ų229156.8 Ų156.890%0.89879%0.793SS**  trans-136.693.3148.2-133.2-94.9000109.9
421E30.8Very low32.7Very low169 Ų169158.1 Ų158.179%0.7979%0.794SS**  trans-93.6117.4172.5-167.8167.7-159.200108.1
422S32Very low32.6Very low95 Ų95160.7 Ų160.766%0.66479%0.794SS**  trans-145.998.1169.41770000110.5R424S422-R424 PolarHBondContact O-N 3.12Å
423H31.7Very low32.6Very low157 Ų157161.9 Ų161.973%0.72779%0.794SS**  trans-33.4124.6166.1-54.4-76.6000114.4
424R35.1Very low32.3Very low246 Ų246161.4 Ų161.493%0.92880%0.796SS**  trans-122.9107.5156.8-80.3-164.8177.7-157.52.2110.3S422S422-R424 PolarHBondContact O-N 3.12Å
425K34.6Very low32.3Very low205 Ų205159 Ų15989%0.89180%0.795SS**  trans-25.6125.5171.6-68.6174.5174.4-179.20116.1
426E34.6Very low31.9Very low184 Ų184158.8 Ų158.886%0.8680%0.798SS**  trans-50.9141.8155.1-68.5162.2158.400111.1
427K35.4Very low32.1Very low198 Ų198156.9 Ų156.986%0.86180%0.798SS**  trans-131.685.1173.8-155.7176.4-172.2-179.30107
428D33.1Very low31.9Very low146 Ų146156.7 Ų156.778%0.78180%0.799SS**  trans-62.8127.6163.8-79.4-35.3000109.5
429N33.6Very low31.9Very low149 Ų149160.2 Ų160.280%0.79781%0.808SS**  trans-145.6106.7151-87.9-25.3000107
430S27.9Very low31.7Very low98 Ų98158.5 Ų158.569%0.68580%0.804SS**  trans-48.3141.7156.9500000111.7
431D35.9Very low31.7Very low140 Ų140155.2 Ų155.275%0.74980%0.801SS**  -175.3121.6128.7-87.8-20.9000111.7
432L31.5Very low31.5Very low149 Ų149154.6 Ų154.678%0.7880%0.798SS**  trans25.7128.3145.1-69.497.8000120.2
433I33.4Very low31.1Very low158 Ų158156.6 Ų156.681%0.8181%0.807SS**  -173.4125.6102.4-85.4151.8000109.2
434N28.5Very low31.1Very low150 Ų150155.4 Ų155.480%0.80281%0.811SS**  trans-71.4135168.1-70.9-40.9000110.9
435T31.4Very low30.9Very low133 Ų133152.7 Ų152.782%0.81681%0.809SS**  trans-145.9106.114544.90000109.3
436L26.2Very low30.8Very low159 Ų159151.3 Ų151.383%0.83281%0.805SS**  trans-79.2130157.5-88.1104.7000108.2
437S31.1Very low30.5Very low115 Ų115152.1 Ų152.180%0.80480%0.8SS**  trans-150.5114.8150-84.60000108.9
438P28.6Very low30.4Very low123 Ų123150 Ų15080%0.79980%0.798SS**  trans-94.5117.5171.531.4-22.6000110.1
439E32.4Very low30.4Very low184 Ų184151.1 Ų151.186%0.8679%0.793SS**  trans-126.3115.3164.5-76.3-169.916700110.1
440L26.5Very low30.3Very low142 Ų142149.5 Ų149.574%0.74379%0.793SS**  trans-50.6131.3160.8-110.382.6000109.8
441N32.3Very low30.3Very low159 Ų159149.9 Ų149.985%0.8579%0.791SS**  trans-157.5120.2140.8-86.7-42000109.3
442H25.6Very low30.2Very low156 Ų156150.4 Ų150.472%0.72279%0.794SS**  trans-76.4137.5170.5-55.9-84.3000109.4
443T24.5Very low30.2Very low137 Ų137151.3 Ų151.384%0.8479%0.792SS**  159.6142.3128.434.90000112.6
444T30.6Very low30.2Very low132 Ų132152 Ų15281%0.8180%0.796SS**  trans105.5108.9156.1-38.60000116
445E30.9Very low30.2Very low190 Ų190149.9 Ų149.989%0.88879%0.788SS**  trans-61.5132.8173.8-61.3175.8156.100111.9R447E445-R447 PolarHBondContact O-N 3.14Å
446E32.5Very low30.1Very low175 Ų175150.5 Ų150.582%0.81879%0.787SS**  trans-78.9103.1176.3-68.7-179.5155.900110.3N448E446-N448 PolarHBondContact O-N 2.72Å
447R28.9Very low30.5Very low202 Ų202148.9 Ų148.976%0.76278%0.783SS**  trans-75.7106158.4-92.7-174.3-176.7164.23.8108.8E445 Y449E445-R447 PolarHBondContact O-N 3.14Å; R447-Y449 HydrophobicContact CB-CD2 4.07Å; R447-Y449 HydrophobicContact CB-CE2 3.76Å; R447-Y449 HydrophobicContact CG-CE2 4.35Å; R447-Y449 PolarHBondContact NH1-OH 2.97Å; R447-Y449 PolarHBondContact O-N 3.5Å; R447-Y449 VanDerWaalsContact O-N 3.09Å
448N32.7Very low30.5Very low153 Ų153150.2 Ų150.282%0.81878%0.78SS**  trans-71.895.9168-74.6-32.1000110.2E446E446-N448 PolarHBondContact O-N 2.72Å
449Y32.7Very low30.8Very low170 Ų170151.8 Ų151.867%0.66778%0.782SS**  trans-88.9106.3160.4-69.9-82.9000108.1R447R447-Y449 HydrophobicContact CB-CD2 4.07Å; R447-Y449 HydrophobicContact CB-CE2 3.76Å; R447-Y449 HydrophobicContact CG-CE2 4.35Å; R447-Y449 PolarHBondContact NH1-OH 2.97Å; R447-Y449 PolarHBondContact O-N 3.5Å; R447-Y449 VanDerWaalsContact O-N 3.09Å
450S31.5Very low30.9Very low114 Ų114150.6 Ų150.680%0.79777%0.774SS**  trans-103.793.6165.7-169.20000107.9
451T28.6Very low31.4Very low106 Ų106150.5 Ų150.565%0.6577%0.774SS**  trans-116.487.5175.3-41.30000107.1
452D34.1Very low31.6Very low151 Ų151149.1 Ų149.181%0.80777%0.767SS**  trans-118.3128.3172.2-81.5-27.9000110.8
453F31.9Very low32.1Very low169 Ų169152.3 Ų152.374%0.74177%0.774SS**  trans-69.7136.6-172.3-75-112.4000112.2
454I33.7Very low32.5Very low173 Ų173153.3 Ų153.389%0.88777%0.774SS**  trans-128.486.1150.3-57.4-179000107.6
455T28.3Very low32.8Very low104 Ų104154.5 Ų154.564%0.63878%0.776SS**  trans-94.8118.4155.134.40000107
456D28.7Very low32.9Very low147 Ų147148.9 Ų148.979%0.78677%0.769SS**  trans173.1149.4140.8-90.1-20.4000112.2
457V34.9Very low33Very low124 Ų124149.4 Ų149.475%0.75277%0.769SS**  trans8486.9165.2-159.60000115.4
458L31.1Very low33.1Very low143 Ų143146.7 Ų146.775%0.74977%0.769SS**  52.2103.387.3-65.1171.8000114
459N35.5Very low33.3Very low157 Ų157148.9 Ų148.984%0.8477%0.772SS**  -149.7109.5129-89.1-30.5000108.7
460K33.8Very low33.1Very low159 Ų159147.7 Ų147.769%0.69178%0.776SS**  trans-85.7111.3166.7-77.2-131.4177-166.30107.1
461D37.3Very low33.3Very low139 Ų139151.6 Ų151.674%0.74378%0.779SS**  trans-112.383161.2-74.3-36.7000107.6Y463D461-Y463 PolarHBondContact O-N 2.74Å
462D35.5Very low33.5Very low130 Ų130151.2 Ų151.270%0.69578%0.776SS**  trans-70.6100.1165.5-69.7-42000107.7
463Y37.1Very low33.3Very low224 Ų224151.3 Ų151.388%0.87877%0.772SS**  trans-94.9102.2162.5-93.7-84.8000109.2D461D461-Y463 PolarHBondContact O-N 2.74Å
464D32.6Very low33.3Very low158 Ų158151.3 Ų151.385%0.84578%0.78SS**  trans-117.891.2174.1-165.813.1000107.3
465D36Very low33.2Very low156 Ų156150.8 Ų150.883%0.83477%0.774SS**  trans-154.3105168.9-151.15.1000111.3
466G33.6Very low33.4Very low73 Ų73153.2 Ų153.275%0.75378%0.783SS**  trans175.946.9-177.100000113.6N468G466-N468 PolarHBondContact O-N 3.01Å
467K35.1Very low33.3Very low185 Ų185153.4 Ų153.480%0.80478%0.784SS**  trans-55.6131.8-179.8-64.2-156179.8-172.40113.5
468N31.4Very low33.1Very low146 Ų146152.7 Ų152.778%0.78178%0.779SS**  trans31.5102.7131.3-63.71.3000117.4G466G466-N468 PolarHBondContact O-N 3.01Å
469K35.5Very low33Very low199 Ų199154.1 Ų154.187%0.86578%0.782SS**  trans-116.888139.4-79.8-173.4179.3177.80109.3F471K469-F471 PolarHBondContact O-N 2.83Å
470L29.4Very low32.9Very low145 Ų145154.8 Ų154.876%0.75978%0.778SS**  trans-61.3114.5160.7-169.182.7000108T472L470-T472 HydrophobicContact CD2-CG2 4.04Å; L470-T472 HydrophobicContact CG-CG2 4.25Å
471F34.6Very low32.7Very low195 Ų195155.1 Ų155.186%0.85578%0.782SS**  trans-106.9107.8154.6-90.8-78.6000107K469K469-F471 PolarHBondContact O-N 2.83Å
472T33.6Very low32.5Very low98 Ų98155.1 Ų155.160%0.60178%0.782SS**  trans-68.7125.7170.3330000110.7L470L470-T472 HydrophobicContact CD2-CG2 4.04Å; L470-T472 HydrophobicContact CG-CG2 4.25Å
473E29.6Very low32.1Very low153 Ų153156.9 Ų156.972%0.71579%0.785SS**  50.793.1117.1-146.7169.2-145.300117Q475E473-Q475 HydrophobicContact CG-CG 4.43Å
474D33Very low31.7Very low170 Ų170154.1 Ų154.191%0.90979%0.785SS**  trans-114.4101149.3-82.3-34000107.6
475Q30.5Very low31.5Very low161 Ų161155.2 Ų155.275%0.75279%0.785SS**  trans-77111.7163.4-76.5176.7-23.200107.9E473E473-Q475 HydrophobicContact CG-CG 4.43Å
476D32.9Very low30.8Very low156 Ų156159.4 Ų159.483%0.83479%0.789SS**  trans-133.697.2154.7-91.9-33.4000108.7
477N27.1Very low30.5Very low150 Ų150161.5 Ų161.580%0.80279%0.793SS**  trans-84.8106.1172.4-154.814.6000107
478V31Very low30Very low109 Ų109158.9 Ų158.966%0.66179%0.792SS**  trans-130.588.5168.8-178.10000108.3K480V478-K480 HydrophobicContact CG1-CD 4.47Å; V478-K480 HydrophobicContact CG1-CG 4.1Å; V478-K480 PolarHBondContact O-N 2.81Å
479E28.5Very low30Very low173 Ų173159.4 Ų159.481%0.80880%0.795SS**  trans-56.9118.1156-76.2172.5151.300108.8
480K33.5Very low29.6Very low171 Ų171153 Ų15374%0.74379%0.785SS**  trans-132.987.5157.2-80.2-172.1179.4-178.80108.4V478 D482V478-K480 HydrophobicContact CG1-CD 4.47Å; V478-K480 HydrophobicContact CG1-CG 4.1Å; V478-K480 PolarHBondContact O-N 2.81Å; K480-D482 PolarHBondContact O-N 3.34Å
481E30Very low29.5Very low167 Ų167153.8 Ų153.878%0.7879%0.79SS**  trans-68.893.3156.9-71.5-177.5142.600108.3
482D32.6Very low29.1Very low139 Ų139149.8 Ų149.874%0.74379%0.786SS**  trans-9495.3164.3-82.9-29.7000108.8K480 L484K480-D482 PolarHBondContact O-N 3.34Å; D482-L484 PolarHBondContact O-N 2.88Å
483H27.7Very low28.9Very low166 Ų166152.6 Ų152.677%0.76980%0.797SS**  trans-58.6108.8162.4-69.6-63.3000110.2
484L27.4Very low28.8Very low167 Ų167153.7 Ų153.787%0.87480%0.795SS**  trans-118.391.9162.3-87.4159.1000109.6D482D482-L484 PolarHBondContact O-N 2.88Å
485Q28.1Very low28.6Very low181 Ų181153.5 Ų153.585%0.84679%0.793SS**  trans-68.2150.9172-126.2172.7100111.4
486W22.5Very low28.4Very low243 Ų243152.8 Ų152.892%0.9279%0.789SS**  trans-46.9134.7-176.2-58.5-31000115.8
487S27.3Very low28.1Very low118 Ų118153.2 Ų153.283%0.82579%0.786SS**  trans-101.9104160.2-66.80000109
488V24Very low28.1Very low129 Ų129152.2 Ų152.278%0.78279%0.786SS**  trans-93.6105.2163.9176.20000106.6
489N32.3Very low28.1Very low158 Ų158153.5 Ų153.585%0.84579%0.789SS**  trans-146.1118.2162.4-74.4-39.4000103.2
490G25.5Very low28Very low64 Ų64150.4 Ų150.466%0.6679%0.786SS**  114.1100.753.700000106.7
491D27.8Very low27.9Very low161 Ų161147.9 Ų147.986%0.86179%0.788SS**  trans67.2109.5149.8-54.3-24.4000121.6
492S25.9Very low27.7Very low111 Ų111145.2 Ų145.278%0.77679%0.788SS**  54.2105.6121.1177.20000118.7
493L29.3Very low27.6Very low158 Ų158145.9 Ų145.983%0.82779%0.79SS**  trans-151.8115.1146.7-142.579.3000113.3
494Y28.4Very low27.6Very low175 Ų175144.6 Ų144.669%0.68679%0.788SS**  trans61.589143.5-90.6-117.5000119.4Q496Y494-Q496 HydrophobicContact CD1-CG 3.72Å; Y494-Q496 HydrophobicContact CE1-CG 3.92Å; Y494-Q496 VanDerWaalsContact CE1-NE2 3.33Å
495I27.7Very low27.7Very low167 Ų167143.5 Ų143.586%0.85678%0.783SS**  trans-107.698.8146-59.5177000106.4Q497I495-Q497 PolarHBondContact O-N 3.31Å
496Q27.3Very low27.7Very low145 Ų145142.1 Ų142.168%0.67878%0.777SS**  trans-74105.5172.3-81.3-179.2-25.700109.2Y494 T498Y494-Q496 HydrophobicContact CD1-CG 3.72Å; Y494-Q496 HydrophobicContact CE1-CG 3.92Å; Y494-Q496 VanDerWaalsContact CE1-NE2 3.33Å; Q496-T498 PolarHBondContact O-N 3.39Å
497Q25.6Very low28.2Very low165 Ų165137.7 Ų137.777%0.77176%0.764SS**  trans-73.3107.4159.9-79.6174.1-1600108.6I495I495-Q497 PolarHBondContact O-N 3.31Å
498T28.9Very low28.3Very low129 Ų129141.4 Ų141.479%0.79177%0.768SS**  trans-88.6105.2165.952.10000108.7Q496Q496-T498 PolarHBondContact O-N 3.39Å
499N30.9Very low28.6Very low137 Ų137141.3 Ų141.373%0.73377%0.768SS**  trans-76.7127.9171.4-72-41.2000110.6
500S24.6Very low28.5Very low107 Ų107142.6 Ų142.675%0.74877%0.769SS**  trans27.9134.2147-43.50000120.8
501P32.5Very low28.6Very low119 Ų119147.1 Ų147.177%0.77378%0.776SS**  -126.6116.9123.413.17.1000110.6I503P501-I503 PolarHBondContact O-N 2.9Å
502S26.2Very low28.9Very low111 Ų111145.9 Ų145.978%0.77677%0.77SS**  trans-69.3114.3165.660.70000108.9
503I30.1Very low29.2Very low153 Ų153144.7 Ų144.779%0.78577%0.766SS**  trans-107.393.1165-66.5172.5000105.5P501P501-I503 PolarHBondContact O-N 2.9Å
504N26.8Very low29.2Very low138 Ų138144.1 Ų144.174%0.73876%0.762SS**  trans-64124.4148.1-78.3-23.7000105.8
505D29.9Very low29.3Very low144 Ų144142.7 Ų142.777%0.7777%0.767SS**  172.8134.3127.9-84.9-23.8000111.2
506E29.4Very low29.4Very low152 Ų152141.5 Ų141.571%0.7176%0.762SS**  trans85.2119.9146.8-78.6-168.1147.200121.5
507K32.3Very low29.3Very low150 Ų150145.7 Ų145.765%0.65277%0.772SS**  trans96.384.5138.2-70.3162.9-178.3144.40116.9T509K507-T509 PolarHBondContact O-N 2.86Å; K507-T509 VanDerWaalsContact O-N 3.15Å
508H29.7Very low29.6Very low197 Ų197143.1 Ų143.191%0.91277%0.768SS**  trans-39.3113.7141.7-60.3-76.8000110.3
509T30.6Very low29.6Very low126 Ų126142.5 Ų142.577%0.77377%0.769SS**  trans-103.4100.7160.92.60000106K507 I511K507-T509 PolarHBondContact O-N 2.86Å; K507-T509 VanDerWaalsContact O-N 3.15Å; T509-I511 PolarHBondContact O-N 3.46Å
510E28.6Very low29.5Very low185 Ų185143.3 Ų143.386%0.86477%0.772SS**  trans-53.2113.2165.7-171.6173.8-170.900108.1
511I28.9Very low29.7Very low160 Ų160143 Ų14382%0.82177%0.77SS**  trans-98.1117.7172.7-64.2176.6000106.6T509T509-I511 PolarHBondContact O-N 3.46Å
512D33.1Very low29.5Very low135 Ų135145.2 Ų145.272%0.72278%0.775SS**  trans-45.1127.1-173.2-63.9-57.4000114.4I514D512-I514 PolarHBondContact O-N 2.58Å; D512-I514 VanDerWaalsContact O-N 3.12Å
513A32.1Very low29.7Very low85 Ų85148.4 Ų148.470%0.70278%0.775SS**  trans-60111.3166.400000109.8N515A513-N515 PolarHBondContact O-N 2.94Å
514I30Very low29.6Very low146 Ų146148.4 Ų148.475%0.74978%0.777SS**  trans-69.898.9176.3-62.2174.7000108.6D512 N516D512-I514 PolarHBondContact O-N 2.58Å; D512-I514 VanDerWaalsContact O-N 3.12Å; I514-N516 VanDerWaalsContact C-N 3.32Å; I514-N516 PolarHBondContact O-N 2.88Å
515N29.7Very low29.9Very low146 Ų146149.9 Ų149.978%0.78178%0.783SS**  trans-65.978.6172-78.9-48.5000111.8A513 R517A513-N515 PolarHBondContact O-N 2.94Å; N515-R517 VanDerWaalsContact C-N 3.35Å; N515-R517 PolarHBondContact O-N 3.44Å
516N30.2Very low29.7Very low142 Ų142149.9 Ų149.976%0.75979%0.793SS**  trans-8880.9165.7-77.4-22.9000110.4I514 T518I514-N516 VanDerWaalsContact C-N 3.32Å; I514-N516 PolarHBondContact O-N 2.88Å; N516-T518 PolarHBondContact O-N 2.85Å; N516-T518 VanDerWaalsContact O-N 3.11Å
517R25.4Very low29.5Very low232 Ų232145 Ų14588%0.87578%0.783SS**  trans-53.2108.1156.6-83.1176.6169.2178.6-3109.2N515N515-R517 VanDerWaalsContact C-N 3.35Å; N515-R517 PolarHBondContact O-N 3.44Å
518T31.4Very low29.3Very low112 Ų112147.6 Ų147.669%0.68779%0.794SS**  trans-130.586.2150.6-46.30000107.7N516 L520N516-T518 PolarHBondContact O-N 2.85Å; N516-T518 VanDerWaalsContact O-N 3.11Å; T518-L520 HydrophobicContact CG2-CG 4.24Å; T518-L520 PolarHBondContact O-N 3.17Å
519S28.3Very low29.5Very low116 Ų116145.4 Ų145.481%0.81179%0.789SS**  trans-64.594.6166.3-51.70000108.3
520L29.3Very low29.3Very low154 Ų154143.1 Ų143.181%0.80679%0.791SS**  trans-89.3117.4163.9-80.9165.2000107.7T518T518-L520 HydrophobicContact CG2-CG 4.24Å; T518-L520 PolarHBondContact O-N 3.17Å
521S29.2Very low29.7Very low100 Ų100141.5 Ų141.570%0.69979%0.787SS**  trans-65.2132-17452.50000112.5K523S521-K523 VanDerWaalsContact C-N 3.31Å; S521-K523 PolarHBondContact O-N 3.34Å
522D28.7Very low30.1Very low165 Ų165142.6 Ų142.688%0.88279%0.789SS**SBendtrans-64.985.7165.7-67.9-45.2000111
523K29.6Very low30.2Very low179 Ų179140 Ų14078%0.77878%0.782SS**  trans-162.2127.8161.3-107.8155-175.61700106.9S521S521-K523 VanDerWaalsContact C-N 3.31Å; S521-K523 PolarHBondContact O-N 3.34Å
524D29.2Very low30.9Very low153 Ų153138.5 Ų138.582%0.81877%0.774SS**SBendtrans105.538.9170.5-51-20.4000117.8
525I31.6Very low31.3Very low169 Ų169136.7 Ų136.787%0.86777%0.772SS**  trans-135.261.1148-44.3176.2000110.3G527I525-G527 PolarHBondContact O-N 3.2Å
526C25.5Very low31.8Very low144 Ų144136.2 Ų136.297%0.97377%0.769SS**  trans-9279.8159.3-167.50000107.7
527G25.2Very low32.5Very low50 Ų50134.4 Ų134.452%0.51576%0.759SS.*  trans-145.966.1-169.200000113.3I525 N529I525-G527 PolarHBondContact O-N 3.2Å; G527-N529 PolarHBondContact O-N 2.98Å
528K29.4Very low33.2Very low204 Ų204131.3 Ų131.389%0.88775%0.748SS**  trans47.663.1150.3-59.8-178.2177.9175.20117.6
529N33.3Very low33.6Very low150 Ų150129 Ų12980%0.80274%0.74SS**  trans-117.361.3151.4-72.3-16.5000109.1G527 L531G527-N529 PolarHBondContact O-N 2.98Å; N529-L531 PolarHBondContact O-N 3.13Å
530G27.2Very low34.5Very low79 Ų79126.5 Ų126.581%0.81472%0.72SS**  trans-77.266.1159.400000108.5E532G530-E532 PolarHBondContact O-N 3.06Å
531L36.6Very low35.2Very low150 Ų150124 Ų12479%0.78570%0.704SS**  trans-86.796.7163.6-84.1165.2000105.5N529 S533N529-L531 PolarHBondContact O-N 3.13Å; L531-S533 PolarHBondContact O-N 3.25Å
532E36.6Very low35.9Very low184 Ų184123 Ų12386%0.8669%0.691SS**  trans-52.4104.1167.5-74.9171.9151.900108.7G530 G534G530-E532 PolarHBondContact O-N 3.06Å; E532-G534 PolarHBondContact O-N 2.72Å
533S35.6Very low36.8Very low81 Ų81120 Ų12057%0.56668%0.675SS**  trans-74.333172.453.80000112.4L531L531-S533 PolarHBondContact O-N 3.25Å
534G47.4Very low37.7Very low53 Ų53115.7 Ų115.755%0.54666%0.659SS.*Hα-helixtrans-72.8-45.9-17000000115.3E532E532-G534 PolarHBondContact O-N 2.72Å
535P38.8Very low38.5Very low108 Ų108112.1 Ų112.170%0.70164%0.64SS**Hα-helixtrans-88.1-30.1-173.2-12.729.2000114.4A539P535-A539 PolarHBondContact O-N 2.84Å
536L39.5Very low39.3Very low136 Ų136110 Ų11071%0.71263%0.627SS**Hα-helixtrans-76-35.3-174.9-109.5157.9000112.4Y538 T540L536-Y538 VanDerWaalsContact C-N 3.32Å; L536-Y538 PolarHBondContact O-N 3.14Å; L536-T540 PolarHBondContact O-N 2.9Å; L536-T540 PolarHBondContact O-OG1 3.37Å; L536-T540 VanDerWaalsContact O-OG1 3.12Å
537L43.9Very low40.2Very low104 Ų104108.5 Ų108.555%0.54561%0.608SS.*Hα-helixtrans-69.1-30.5175.2-75.9171.3000112.4T540 Q541L537-T540 WeakPolarHBondContact CA-OG1 3.42Å; L537-T540 PolarHBondContact O-OG1 3.36Å; L537-Q541 WeakPolarHBondContact O-CB 3.41Å; L537-Q541 PolarHBondContact O-N 2.95Å
538Y41.1Very low41.2Very low166 Ų166111.4 Ų111.465%0.65161%0.609SS**Hα-helixtrans-71.4-39.7178.8-157-96.4000112.1L536 Q541 N542L536-Y538 VanDerWaalsContact C-N 3.32Å; L536-Y538 PolarHBondContact O-N 3.14Å; Y538-Q541 PolarHBondContact O-N 3.07Å; Y538-N542 PolarHBondContact O-N 3Å; Y538-N542 VanDerWaalsContact O-N 3.16Å
539A39.6Very low42Very low63 Ų63106.1 Ų106.152%0.52159%0.593SS.*Hα-helixtrans-66.6-39.8176.400000112.3P535 L543P535-A539 PolarHBondContact O-N 2.84Å; A539-L543 PolarHBondContact O-N 3.13Å
540T47.1Very low42.6Very low64 Ų64103.3 Ų103.339%0.39358%0.581SS.*Hα-helixtrans-70.1-34.9176.548.60000112.6L536 L537 L543 I544L536-T540 PolarHBondContact O-N 2.9Å; L536-T540 PolarHBondContact O-OG1 3.37Å; L536-T540 VanDerWaalsContact O-OG1 3.12Å; L537-T540 WeakPolarHBondContact CA-OG1 3.42Å; L537-T540 PolarHBondContact O-OG1 3.36Å; T540-L543 PolarHBondContact O-N 3.33Å; T540-I544 VanDerWaalsContact O-CG1 3.3Å; T540-I544 WeakPolarHBondContact O-CG1 3.24Å; T540-I544 PolarHBondContact O-N 3.41Å; T540-I544 VanDerWaalsContact O-N 3.08Å
541Q44.6Very low43.4Very low102 Ų102106.3 Ų106.348%0.47757%0.574SS.*Hα-helixtrans-68.3-39.2178.6-159.773.548.400111.8L537 Y538 I544 N545L537-Q541 WeakPolarHBondContact O-CB 3.41Å; L537-Q541 PolarHBondContact O-N 2.95Å; Y538-Q541 PolarHBondContact O-N 3.07Å; Q541-I544 PolarHBondContact O-N 3.4Å; Q541-N545 VanDerWaalsContact O-CG 3.3Å; Q541-N545 PolarHBondContact O-N 3.05Å
542N44.4Very low43.7Very low78 Ų78106.3 Ų106.342%0.41757%0.57SS.*Hα-helixtrans-64.4-41.2174.6-89.711.3000112.1Y538 I544 N545 E546Y538-N542 PolarHBondContact O-N 3Å; Y538-N542 VanDerWaalsContact O-N 3.16Å; N542-I544 VanDerWaalsContact C-N 3.33Å; N542-I544 PolarHBondContact O-N 3.16Å; N542-N545 PolarHBondContact O-N 3.05Å; N542-E546 PolarHBondContact O-N 2.99Å
543L46.9Very low43.8Very low103 Ų103104.6 Ų104.654%0.53957%0.566SS.*Hα-helixtrans-63.9-39.2177.6-163.684.5000111.8A539 T540 E546 L547A539-L543 PolarHBondContact O-N 3.13Å; T540-L543 PolarHBondContact O-N 3.33Å; L543-E546 PolarHBondContact O-N 3.41Å; L543-L547 HydrophobicContact CD2-CD1 4.49Å; L543-L547 HydrophobicContact CG-CD1 4.35Å; L543-L547 WeakPolarHBondContact O-CB 3.27Å; L543-L547 VanDerWaalsContact O-CG 3.32Å; L543-L547 WeakPolarHBondContact O-CG 3.42Å; L543-L547 PolarHBondContact O-N 3.28Å
544I48.9Very low44.2Very low89 Ų89105.4 Ų105.446%0.45657%0.568SS.*Hα-helixtrans-66.4-42.1176.9-67.7166.2000110.5T540 Q541 N542 L547 Q548T540-I544 VanDerWaalsContact O-CG1 3.3Å; T540-I544 WeakPolarHBondContact O-CG1 3.24Å; T540-I544 PolarHBondContact O-N 3.41Å; T540-I544 VanDerWaalsContact O-N 3.08Å; Q541-I544 PolarHBondContact O-N 3.4Å; N542-I544 VanDerWaalsContact C-N 3.33Å; N542-I544 PolarHBondContact O-N 3.16Å; I544-L547 PolarHBondContact O-N 2.84Å; I544-Q548 WeakPolarHBondContact O-CB 3.43Å; I544-Q548 PolarHBondContact O-N 3.35Å
545N45.9Very low44.2Very low78 Ų78110.6 Ų110.642%0.41758%0.583SS.*Hα-helixtrans-65.9-37.7177.5-70.5-6.1000112.4Q541 N542 T549Q541-N545 VanDerWaalsContact O-CG 3.3Å; Q541-N545 PolarHBondContact O-N 3.05Å; N542-N545 PolarHBondContact O-N 3.05Å; N545-T549 PolarHBondContact O-N 2.93Å; N545-T549 VanDerWaalsContact O-N 3.1Å; N545-T549 PolarHBondContact O-OG1 2.85Å
546E47.9Very low44.4Very low124 Ų124113 Ų11358%0.57959%0.589SS**Hα-helixtrans-67-41.7174.2-80.6-178.1178.500111.8N542 L543 Q548 T549 V550N542-E546 PolarHBondContact O-N 2.99Å; L543-E546 PolarHBondContact O-N 3.41Å; E546-Q548 PolarHBondContact O-N 3.08Å; E546-T549 WeakPolarHBondContact CA-OG1 3.22Å; E546-T549 PolarHBondContact O-N 2.93Å; E546-T549 PolarHBondContact O-OG1 2.73Å; E546-V550 WeakPolarHBondContact O-CG2 3.07Å; E546-V550 PolarHBondContact O-N 3.24Å; E546-V550 VanDerWaalsContact O-N 3.17Å
547L45.2Very low44.5Very low112 Ų112117 Ų11759%0.58660%0.595SS**Hα-helixtrans-68.4-35.3177.4-70.4173.8000112.4L543 I544 T549 V550 E551L543-L547 HydrophobicContact CD2-CD1 4.49Å; L543-L547 HydrophobicContact CG-CD1 4.35Å; L543-L547 WeakPolarHBondContact O-CB 3.27Å; L543-L547 VanDerWaalsContact O-CG 3.32Å; L543-L547 WeakPolarHBondContact O-CG 3.42Å; L543-L547 PolarHBondContact O-N 3.28Å; I544-L547 PolarHBondContact O-N 2.84Å; L547-T549 VanDerWaalsContact C-N 3.31Å; L547-T549 PolarHBondContact O-N 3.45Å; L547-V550 PolarHBondContact O-N 2.9Å; L547-E551 PolarHBondContact O-N 3.26Å
548Q45.8Very low44.3Very low112 Ų112117.7 Ų117.752%0.52361%0.606SS.*Hα-helixtrans-73.1-24.7177.6-154.6172.91.700112.5I544 E546 H552I544-Q548 WeakPolarHBondContact O-CB 3.43Å; I544-Q548 PolarHBondContact O-N 3.35Å; E546-Q548 PolarHBondContact O-N 3.08Å; Q548-H552 PolarHBondContact O-CD2 2.95Å; Q548-H552 VanDerWaalsContact O-CD2 3.26Å
549T45.6Very low44.1Very low93 Ų93118.1 Ų118.157%0.57161%0.614SS**Hα-helixtrans-78.4-26.5171.932.20000112.8N545 E546 L547N545-T549 PolarHBondContact O-N 2.93Å; N545-T549 VanDerWaalsContact O-N 3.1Å; N545-T549 PolarHBondContact O-OG1 2.85Å; E546-T549 WeakPolarHBondContact CA-OG1 3.22Å; E546-T549 PolarHBondContact O-N 2.93Å; E546-T549 PolarHBondContact O-OG1 2.73Å; L547-T549 VanDerWaalsContact C-N 3.31Å; L547-T549 PolarHBondContact O-N 3.45Å
550V46.8Very low43.9Very low90 Ų90120.7 Ų120.755%0.54563%0.625SS.*Hα-helixtrans-77-30.8174.8177.20000112.2E546 L547 H552 L553E546-V550 WeakPolarHBondContact O-CG2 3.07Å; E546-V550 PolarHBondContact O-N 3.24Å; E546-V550 VanDerWaalsContact O-N 3.17Å; L547-V550 PolarHBondContact O-N 2.9Å; V550-H552 PolarHBondContact O-N 2.78Å; V550-L553 PolarHBondContact O-N 2.96Å
551E43.8Very low43.2Very low142 Ų142125 Ų12566%0.66465%0.645SS**G310 helixtrans-67.5-20.5-179.9-163.1169.6-161.500113.4L547 T554L547-E551 PolarHBondContact O-N 3.26Å; E551-T554 PolarHBondContact O-OG1 2.91Å
552H41.6Very low42.5Very low150 Ų150127.7 Ų127.769%0.69466%0.663SS**G310 helixtrans-88.54.4177.4-67.5-51000114.9Q548 V550Q548-H552 PolarHBondContact O-CD2 2.95Å; Q548-H552 VanDerWaalsContact O-CD2 3.26Å; V550-H552 PolarHBondContact O-N 2.78Å
553L40.2Very low41.8Very low148 Ų148130.1 Ų130.178%0.77567%0.674SS**G310 helixtrans-105.911.9177.6-72.4172.6000114.1V550V550-L553 PolarHBondContact O-N 2.96Å
554T43.2Very low40.9Very low99 Ų99130.2 Ų130.261%0.60768%0.684SS**  trans-113.117.4-173.457.80000116.6E551E551-T554 PolarHBondContact O-OG1 2.91Å
555D46.7Very low40Very low161 Ų161131.1 Ų131.186%0.86169%0.693SS**SBendtrans-88.1-13171.8-86.8-12.2000114.1R557D555-R557 PolarHBondContact O-N 2.97Å
556D43.3Very low39.3Very low158 Ų158134.4 Ų134.485%0.84571%0.711SS**  trans-83.765.9168.9-75.9-22.9000110.2P558D556-P558 WeakPolarHBondContact O-CD 3.43Å
557R41.5Very low38.5Very low222 Ų222135 Ų13584%0.83872%0.716SS**  trans-72.7110.2166.7-172.1175.2-173.6171.63.2107.3D555 E559D555-R557 PolarHBondContact O-N 2.97Å; R557-E559 PolarHBondContact O-N 3.04Å; R557-E559 VanDerWaalsContact O-N 3.14Å
558P40.1Very low37.9Very low118 Ų118138.3 Ų138.377%0.76673%0.729SS**  trans-60.9123179.624.1-32.2000109D556D556-P558 WeakPolarHBondContact O-CD 3.43Å
559E36.4Very low37.1Very low174 Ų174136 Ų13681%0.81374%0.735SS**  trans-56135.7171.7-72.8-171.715700108.9R557 L561R557-E559 PolarHBondContact O-N 3.04Å; R557-E559 VanDerWaalsContact O-N 3.14Å; E559-L561 PolarHBondContact O-N 3.1Å
560P35Very low36.6Very low118 Ų118139 Ų13977%0.76675%0.748SS**  trans-62.7110.3179.124-31.2000109.3N562P560-N562 PolarHBondContact O-N 3.39Å
561L32.4Very low35.8Very low153 Ų153143.6 Ų143.680%0.80176%0.763SS**  trans-56.8101.8172.4-111.9114000109E559 I563E559-L561 PolarHBondContact O-N 3.1Å; L561-I563 VanDerWaalsContact C-N 3.26Å; L561-I563 HydrophobicContact CB-CG1 4.22Å; L561-I563 HydrophobicContact CD2-CD1 4.33Å; L561-I563 HydrophobicContact CD2-CG1 3.98Å; L561-I563 PolarHBondContact O-N 3.05Å
562N30.6Very low35.3Very low160 Ų160144.6 Ų144.686%0.85677%0.772SS**  trans-72.584.1168.8-96.8-34.5000108.3P560 S564P560-N562 PolarHBondContact O-N 3.39Å; N562-S564 PolarHBondContact O-N 3.43Å; N562-S564 VanDerWaalsContact O-N 3.16Å
563I29.2Very low34.7Very low128 Ų128142.8 Ų142.866%0.65678%0.775SS**  trans-80.295.1171-49.3172000107L561 V565L561-I563 VanDerWaalsContact C-N 3.26Å; L561-I563 HydrophobicContact CB-CG1 4.22Å; L561-I563 HydrophobicContact CD2-CD1 4.33Å; L561-I563 HydrophobicContact CD2-CG1 3.98Å; L561-I563 PolarHBondContact O-N 3.05Å; I563-V565 HydrophobicContact CG2-CG2 3.82Å; I563-V565 PolarHBondContact O-N 2.78Å
564S28.8Very low34.1Very low105 Ų105143.2 Ų143.273%0.73478%0.778SS**  trans-74.399.9164.252.80000108.2N562 D566N562-S564 PolarHBondContact O-N 3.43Å; N562-S564 VanDerWaalsContact O-N 3.16Å; S564-D566 PolarHBondContact O-N 3.27Å
565V30.9Very low33.4Very low108 Ų108143.1 Ų143.166%0.65579%0.787SS**  trans-82107.9170.6-178.70000107.5I563 I567I563-V565 HydrophobicContact CG2-CG2 3.82Å; I563-V565 PolarHBondContact O-N 2.78Å; V565-I567 VanDerWaalsContact C-N 3.34Å; V565-I567 HydrophobicContact CG1-CG1 4.25Å; V565-I567 PolarHBondContact O-N 3.17Å
566D29.5Very low32.6Very low148 Ų148143.1 Ų143.179%0.79178%0.782SS**  trans-66.994167.9-82.7-28.7000108.5S564 Q568S564-D566 PolarHBondContact O-N 3.27Å; D566-Q568 VanDerWaalsContact C-N 3.34Å; D566-Q568 PolarHBondContact O-N 2.77Å
567I32.5Very low32.1Very low136 Ų136142.6 Ų142.670%0.69778%0.778SS**  trans-72.194.2171.5-56173.3000106.7V565 G569V565-I567 VanDerWaalsContact C-N 3.34Å; V565-I567 HydrophobicContact CG1-CG1 4.25Å; V565-I567 PolarHBondContact O-N 3.17Å; I567-G569 PolarHBondContact O-N 2.9Å; I567-G569 VanDerWaalsContact O-N 3.08Å
568Q31.2Very low31.6Very low182 Ų182139.9 Ų139.985%0.8577%0.774SS**  trans-61.5109.3165.5-79.5179.7-15.600108.1D566 D570D566-Q568 VanDerWaalsContact C-N 3.34Å; D566-Q568 PolarHBondContact O-N 2.77Å; Q568-D570 VanDerWaalsContact C-N 3.26Å; Q568-D570 PolarHBondContact O-N 2.79Å
569G29.5Very low31.6Very low63 Ų63143.1 Ų143.165%0.64978%0.776SS**THydrogen-bonded Turntrans-76.124.3-160.500000117.8I567I567-G569 PolarHBondContact O-N 2.9Å; I567-G569 VanDerWaalsContact O-N 3.08Å
570D35.3Very low31.5Very low156 Ų156146.1 Ų146.183%0.83478%0.78SS**THydrogen-bonded Turntrans-112.9-2.3-167.7-76.5-9.7000116.5Q568Q568-D570 VanDerWaalsContact C-N 3.26Å; Q568-D570 PolarHBondContact O-N 2.79Å
571E30.7Very low31.3Very low186 Ų186145.4 Ų145.487%0.86978%0.778SS**SBendtrans-110.6-0.7-176.5-65-166.1171.900116.6C573E571-C573 VanDerWaalsContact C-N 3.31Å; E571-C573 PolarHBondContact O-N 2.86Å
572L33.3Very low31.1Very low164 Ų164143.2 Ų143.286%0.85977%0.771SS**SBendtrans-83.33.1-178.4-72.4178.7000115.8
573C29.2Very low31Very low112 Ų112141 Ų14176%0.75776%0.763SS**SBendtrans-115.483.9176.7-73.90000109.4E571E571-C573 VanDerWaalsContact C-N 3.31Å; E571-C573 PolarHBondContact O-N 2.86Å
574N27.7Very low31Very low157 Ų157141.4 Ų141.484%0.8476%0.762SS**  trans168.910.6148.6-81.5-20.6000115.2E576N574-E576 PolarHBondContact O-N 3.42Å
575A27.1Very low30.8Very low96 Ų96141.6 Ų141.679%0.79376%0.763SS**  trans-73.871.2166.500000110.1I577A575-I577 VanDerWaalsContact C-N 3.34Å; A575-I577 PolarHBondContact O-N 3.45Å
576E31Very low30.7Very low162 Ų162144.9 Ų144.976%0.75776%0.764SS**  trans-6697.9169.3-161.3169.1-150.500106.8N574 H578N574-E576 PolarHBondContact O-N 3.42Å; E576-H578 PolarHBondContact O-N 2.95Å
577I33.1Very low30.7Very low147 Ų147143.9 Ų143.975%0.75476%0.763SS**  trans-52.8102.7179.8-58.8169.5000107.3A575 K579A575-I577 VanDerWaalsContact C-N 3.34Å; A575-I577 PolarHBondContact O-N 3.45Å; I577-K579 PolarHBondContact O-N 3.21Å
578H31Very low30.6Very low164 Ų164142.3 Ų142.376%0.75976%0.76SS**  trans-62.991.4172.5-78.1-26.6000108.2E576 R580E576-H578 PolarHBondContact O-N 2.95Å; H578-R580 PolarHBondContact O-N 3.33Å; H578-R580 VanDerWaalsContact O-N 3.14Å
579K39.1Very low30.7Very low187 Ų187139.3 Ų139.381%0.81375%0.746SS**SBendtrans-55.3117.5165.6-68.6179178.9179.10106.5I577I577-K579 PolarHBondContact O-N 3.21Å
580R34.4Very low30.9Very low236 Ų236144.5 Ų144.589%0.89175%0.753SS**  trans87.867.1174.8-49.4167.1175.9-171.7-2.9115.3H578H578-R580 PolarHBondContact O-N 3.33Å; H578-R580 VanDerWaalsContact O-N 3.14Å
581S30.8Very low31Very low103 Ų103144.2 Ų144.272%0.7274%0.742SS**  trans-92.595.7146.6-169.30000107.6V583S581-V583 PolarHBondContact O-N 2.64Å
582T27.6Very low31.3Very low108 Ų108140.7 Ų140.766%0.66374%0.737SS**  trans-74.7106.6167.233.50000107.5E584T582-E584 PolarHBondContact O-N 3.47Å
583V29.1Very low31.4Very low114 Ų114140.5 Ų140.569%0.69174%0.737SS**  trans-80.7106.1173-176.70000107.5S581 C585S581-V583 PolarHBondContact O-N 2.64Å; V583-C585 PolarHBondContact O-N 2.71Å
584E28.7Very low32Very low136 Ų136142 Ų14264%0.63674%0.738SS**  trans-82.4104.4171.4-65.8-173.1170.500108.8T582 Y586T582-E584 PolarHBondContact O-N 3.47Å; E584-Y586 HydrophobicContact CB-CD2 4.42Å; E584-Y586 HydrophobicContact CB-CE2 3.68Å; E584-Y586 PolarHBondContact OE2-OH 3.17Å
585C25.6Very low32.5Very low109 Ų109141.5 Ų141.574%0.73674%0.735SS**  trans-88.6116175.2-63.90000109.8V583V583-C585 PolarHBondContact O-N 2.71Å
586Y27.5Very low33.2Very low176 Ų176144 Ų14469%0.6974%0.735SS**  trans-100.9110.8171.4-63.3-88.4000108.6E584E584-Y586 HydrophobicContact CB-CD2 4.42Å; E584-Y586 HydrophobicContact CB-CE2 3.68Å; E584-Y586 PolarHBondContact OE2-OH 3.17Å
587V30Very low33.6Very low127 Ų127144.5 Ų144.577%0.7774%0.743SS**  trans-85.5113.6172.6-177.30000107.6
588T30.3Very low34Very low103 Ų103143.9 Ų143.963%0.63274%0.741SS**  trans-103.4103.3178.3-45.80000108H590T588-H590 PolarHBondContact O-N 3.14Å
589E32.8Very low34.4Very low119 Ų119146 Ų14656%0.55675%0.748SS**  trans-76.2103.2175.2-68.3-177.1-177.600109.7Y591E589-Y591 HydrophobicContact CB-CD2 4.3Å; E589-Y591 HydrophobicContact CB-CE2 3.68Å; E589-Y591 PolarHBondContact O-N 3Å; E589-Y591 WeakPolarHBondContact OE2-CE2 3.34Å; E589-Y591 PolarHBondContact OE2-OH 3.08Å
590H34.8Very low34.3Very low172 Ų172146.2 Ų146.280%0.79674%0.744SS**  trans-80.4100.8173.1-82.6-93.6000109.7T588T588-H590 PolarHBondContact O-N 3.14Å
591Y37Very low34.5Very low151 Ų151140.5 Ų140.559%0.59274%0.74SS**  trans-83.4120.4165.3-65.5-85.3000108.6E589 N593E589-Y591 HydrophobicContact CB-CD2 4.3Å; E589-Y591 HydrophobicContact CB-CE2 3.68Å; E589-Y591 PolarHBondContact O-N 3Å; E589-Y591 WeakPolarHBondContact OE2-CE2 3.34Å; E589-Y591 PolarHBondContact OE2-OH 3.08Å; Y591-N593 PolarHBondContact O-N 3.4Å
592S36.3Very low34.7Very low112 Ų112142.6 Ų142.678%0.78374%0.742SS**  trans-61.2128.4178.652.80000111D594S592-D594 PolarHBondContact O-N 3.02Å
593N35.7Very low35Very low160 Ų160142.2 Ų142.286%0.85674%0.744SS**  trans-69.8102.6174.6-88.7-24.6000110.2Y591Y591-N593 PolarHBondContact O-N 3.4Å
594D42.1Very low35.3Very low143 Ų143143.7 Ų143.777%0.76575%0.748SS**  trans-119.7101.7148.9-78.2-42.6000107.1S592S592-D594 PolarHBondContact O-N 3.02Å
595N38.5Very low35.6Very low146 Ų146145.8 Ų145.878%0.78175%0.751SS**SBendtrans36.791.5158.5-63.2-40.2000116.9
596D41.4Very low36Very low150 Ų150150 Ų15080%0.80276%0.757SS**  trans-168.4127.3138.4-95.9-27.2000110.1N598D596-N598 PolarHBondContact O-N 3.11Å
597D39.8Very low36.3Very low171 Ų171147.1 Ų147.191%0.91476%0.757SS**  trans-64.440.8-172.9-82.7-40.7000115.9
598N40.9Very low36.6Very low134 Ų134149.6 Ų149.672%0.71776%0.76SS**  trans-103.4104179.4-79.1-31.6000111.6D596 R600D596-N598 PolarHBondContact O-N 3.11Å; N598-R600 PolarHBondContact O-N 2.91Å
599K40.7Very low37.1Very low208 Ų208151.9 Ų151.990%0.90477%0.768SS**  trans-33.190.6165.2-63172.7-179.5174.30112.3S601K599-S601 PolarHBondContact O-N 3.41Å
600R36.6Very low37Very low193 Ų193154.1 Ų154.173%0.72878%0.783SS**  trans-83.2113.3174.3-78.3-174.1178.8-158.42.4109.6N598N598-R600 PolarHBondContact O-N 2.91Å
601S37.7Very low37.1Very low116 Ų116149.4 Ų149.481%0.81177%0.769SS**  trans-74.7120.9172.3-57.20000109.8K599 S603K599-S601 PolarHBondContact O-N 3.41Å; S601-S603 PolarHBondContact O-N 3.06Å
602I35.8Very low37.3Very low147 Ų147147.3 Ų147.375%0.75477%0.774SS**  trans-67.5112.1175.2-60.4162.7000108.2N604I602-N604 WeakPolarHBondContact CG2-OD1 3.44Å; I602-N604 PolarHBondContact O-N 2.94Å
603S33.5Very low37.5Very low100 Ų100149.2 Ų149.270%0.69977%0.77SS**  trans-92.297173.859.60000110.2S601 Y605S601-S603 PolarHBondContact O-N 3.06Å; S603-Y605 PolarHBondContact O-N 3.03Å
604N36.7Very low37.4Very low145 Ų145152.5 Ų152.578%0.77577%0.772SS**  trans-79108.7169.5-65.1-26.4000108.7I602I602-N604 WeakPolarHBondContact CG2-OD1 3.44Å; I602-N604 PolarHBondContact O-N 2.94Å
605Y33.7Very low37Very low179 Ų179154.3 Ų154.370%0.70277%0.774SS**  trans-99.7130.3167.955.6-89.2000110.3S603 V607S603-Y605 PolarHBondContact O-N 3.03Å; Y605-V607 HydrophobicContact CD2-CG2 4.37Å; Y605-V607 HydrophobicContact CE2-CG2 4.48Å
606K33.8Very low37Very low199 Ų199154.7 Ų154.787%0.86577%0.771SS**  trans-90.2112.4-179.3-169.3179.8-175.2-1790107.9E608K606-E608 PolarHBondContact O-N 3.01Å
607V34.9Very low36.8Very low115 Ų115155.8 Ų155.870%0.69777%0.771SS**PPolyproline II helixtrans-72.4121.4173.5-178.90000107.9Y605 N609Y605-V607 HydrophobicContact CD2-CG2 4.37Å; Y605-V607 HydrophobicContact CE2-CG2 4.48Å; V607-N609 PolarHBondContact O-N 3.09Å
608E36.2Very low36.5Very low179 Ų179156.1 Ų156.184%0.83677%0.767SS**PPolyproline II helixtrans-65.5127.4179-76.2-177.1154.800110.6K606 I610K606-E608 PolarHBondContact O-N 3.01Å; E608-I610 PolarHBondContact O-N 3.02Å
609N39.8Very low36.3Very low150 Ų150157.5 Ų157.580%0.80277%0.769SS**PPolyproline II helixtrans-59.2120.5179.1-75.2-26.5000110.7V607 S611V607-N609 PolarHBondContact O-N 3.09Å; N609-S611 PolarHBondContact O-N 2.89Å; N609-S611 VanDerWaalsContact O-N 3.08Å
610I32Very low35.9Very low167 Ų167153.2 Ų153.286%0.85677%0.765SS**  trans-67108.2167-51.7171.3000106.7E608E608-I610 PolarHBondContact O-N 3.02Å
611S36.8Very low35.7Very low72 Ų72152.5 Ų152.550%0.50378%0.775SS.*  trans-57.6131.4175.2178.30000109.8N609 E613N609-S611 PolarHBondContact O-N 2.89Å; N609-S611 VanDerWaalsContact O-N 3.08Å; S611-E613 PolarHBondContact O-N 2.87Å
612P41.2Very low35.5Very low107 Ų107157.9 Ų157.970%0.69578%0.777SS**G310 helixtrans-69.113.5178.3-16.530.2000115.1Y614 F615P612-Y614 PolarHBondContact O-N 3.27Å; P612-F615 PolarHBondContact O-N 2.8Å; P612-F615 VanDerWaalsContact O-N 3.12Å
613E39.8Very low35.2Very low152 Ų152158.7 Ų158.771%0.7178%0.783SS**G310 helixtrans-61.1-10.4179-126.9170.9-170.800113.2S611 F615S611-E613 PolarHBondContact O-N 2.87Å; E613-F615 PolarHBondContact O-N 2.75Å
614Y33.3Very low35Very low229 Ų229156.7 Ų156.790%0.89878%0.779SS**G310 helixtrans-76.4-0.4173.4-124.3-89.9000115P612P612-Y614 PolarHBondContact O-N 3.27Å
615F34.3Very low34.7Very low181 Ų181157.7 Ų157.779%0.79478%0.784SS**G310 helixtrans-108.213.2-178.5-91.8-82.1000115.5P612 E613 E617P612-F615 PolarHBondContact O-N 2.8Å; P612-F615 VanDerWaalsContact O-N 3.12Å; E613-F615 PolarHBondContact O-N 2.75Å; F615-E617 PolarHBondContact O-N 2.82Å
616E38.7Very low34.5Very low155 Ų155159.1 Ų159.172%0.72479%0.794SS**G310 helixtrans-82.8-2.7-176.1-102.7-175.6177.400116.5H618E616-H618 PolarHBondContact O-N 3.09Å
617E36.5Very low34.3Very low173 Ų173158 Ų15881%0.80879%0.792SS**G310 helixtrans-81.8-5.2-173.3-158.1167.9-176.300115.7F615F615-E617 PolarHBondContact O-N 2.82Å
618H34.1Very low34.2Very low177 Ų177159.5 Ų159.582%0.81980%0.796SS**G310 helixtrans-122.810.1-175.9-67.1-42000117.2E616E616-H618 PolarHBondContact O-N 3.09Å
619Q36Very low33.9Very low163 Ų163160.4 Ų160.476%0.76280%0.8SS**  trans-89.70.1176.2-76.6-154.344.500116L621Q619-L621 PolarHBondContact O-N 2.96Å
620S32.8Very low33.3Very low118 Ų118158.5 Ų158.583%0.82580%0.798SS**THydrogen-bonded Turntrans-76.810.9-173.6-63.90000116.6
621L32.9Very low33.3Very low178 Ų178155.4 Ų155.493%0.93279%0.788SS**THydrogen-bonded Turntrans-110.34178.4-88.1162.6000115.3Q619Q619-L621 PolarHBondContact O-N 2.96Å
622R33Very low32.9Very low229 Ų229158.4 Ų158.486%0.86481%0.805SS**SBendtrans-107.11.7-176.8-125.1-179.7-171.9-137.52.4116.9
623N30.1Very low32.7Very low164 Ų164161.7 Ų161.788%0.87781%0.811SS**  trans-114.666.9-179.8-71-20.6000111.8
624G27.5Very low32.5Very low59 Ų59160.4 Ų160.461%0.60881%0.814SS**SBendtrans-162.683.3172.800000109.5
625N31.9Very low32.4Very low166 Ų166157.1 Ų157.189%0.88881%0.811SS**  trans148.261.4160.1-70.8-13.6000109.7
626K28.4Very low32.2Very low208 Ų208154.6 Ų154.690%0.90481%0.806SS**  trans-96.978.7152.1-78.2-176178.9177.20106.8
627E30.6Very low32Very low175 Ų175154.8 Ų154.882%0.81881%0.812SS**  trans-158.2135.5162-115.6165.7-160.700109.1
628N33Very low31.8Very low147 Ų147155.2 Ų155.279%0.78681%0.814SS**  trans86.564.3178.8-47.2-29.9000115.7S630N628-S630 PolarHBondContact O-N 2.8Å
629Q28.4Very low31.7Very low199 Ų199154 Ų15493%0.9381%0.813SS**  trans-56.985.6143.7-69.9178.77.100109T631Q629-T631 PolarHBondContact O-N 2.75Å
630S28.9Very low31.6Very low109 Ų109154.9 Ų154.976%0.76282%0.817SS**  trans-82.6102.6164.71630000107.3N628N628-S630 PolarHBondContact O-N 2.8Å
631T30.3Very low31.5Very low103 Ų103154.4 Ų154.463%0.63281%0.814SS**  trans-47.7133.117742.20000112.9Q629 E633Q629-T631 PolarHBondContact O-N 2.75Å; T631-E633 VanDerWaalsContact C-N 3.3Å; T631-E633 PolarHBondContact O-N 2.78Å
632P28.6Very low31.5Very low134 Ų134154.7 Ų154.787%0.8781%0.807SS**SBendtrans-82.571.3-178.735-34000110.5
633E36.8Very low31.4Very low176 Ų176150 Ų15082%0.82281%0.807SS**  trans-127.21.6176.4-104-174.2175.300114.8T631T631-E633 VanDerWaalsContact C-N 3.3Å; T631-E633 PolarHBondContact O-N 2.78Å
634T36.3Very low31.4Very low125 Ų125150 Ų15077%0.76781%0.806SS**SBendtrans-120.81.8-173.6-32.60000116
635L31.7Very low31.7Very low160 Ų160154.2 Ų154.284%0.83881%0.814SS**SBendtrans-111.715.3177.6-65.8-177.4000115.2N637L635-N637 VanDerWaalsContact C-N 3.3Å; L635-N637 PolarHBondContact O-N 2.71Å
636N30.3Very low32Very low129 Ų129153.8 Ų153.869%0.6981%0.812SS**THydrogen-bonded Turntrans-87.713178.3-144.65.3000114.7
637N33.7Very low32.4Very low158 Ų158152.1 Ų152.185%0.84581%0.809SS**THydrogen-bonded Turntrans-119.523.1-177.6-72.5-21.9000114.3L635L635-N637 VanDerWaalsContact C-N 3.3Å; L635-N637 PolarHBondContact O-N 2.71Å
638Q32Very low32.7Very low182 Ų182149.1 Ų149.185%0.8580%0.799SS**  trans-12725.7171.8-68.5-162.717.600114.1E640Q638-E640 VanDerWaalsContact C-N 3.29Å
639L33.3Very low33Very low152 Ų152150.3 Ų150.380%0.79680%0.797SS**  trans-89.519.8171.4-80.1167.9000113.7S641L639-S641 PolarHBondContact O-N 2.66Å; L639-S641 VanDerWaalsContact O-N 3.15Å
640E32.2Very low33.4Very low182 Ų182147.2 Ų147.285%0.8579%0.787SS**SBendtrans-83.686.7167.1-88.2-174.1159.700110.8Q638Q638-E640 VanDerWaalsContact C-N 3.29Å
641S32.2Very low34.1Very low108 Ų108145.2 Ų145.276%0.75577%0.77SS**  trans3394.514062.50000117.6L639L639-S641 PolarHBondContact O-N 2.66Å; L639-S641 VanDerWaalsContact O-N 3.15Å
642K32.7Very low34.5Very low184 Ų184143.4 Ų143.480%0.877%0.766SS**  trans-132.6125.3143.8-88.5-177.2178173.20109.1L644K642-L644 PolarHBondContact O-N 2.67Å
643P31.3Very low34.9Very low131 Ų131142.7 Ų142.785%0.85175%0.754SS**  trans-72.8102.3177.830.1-30.1000107.4
644L29.5Very low34.9Very low163 Ų163143.2 Ų143.285%0.85375%0.748SS**  trans-98.9106.1179.7-134.8130.3000108.2K642K642-L644 PolarHBondContact O-N 2.67Å
645N34Very low35.2Very low147 Ų147146.5 Ų146.579%0.78675%0.747SS**  trans-30.7138.8174.8-75.7-36.6000114.4M647N645-M647 PolarHBondContact O-N 3.42Å
646D37.2Very low35.7Very low158 Ų158144.4 Ų144.485%0.84574%0.735SS**SBendtrans-56.627.7177.5-92.6-44000117.1N648D646-N648 PolarHBondContact O-N 2.95Å
647M36.9Very low36.2Very low173 Ų173148.2 Ų148.285%0.85274%0.74SS**THydrogen-bonded Turntrans-106.459.6-173.7-149.6178.375.700111.9N645N645-M647 PolarHBondContact O-N 3.42Å
648N36.9Very low36.9Very low112 Ų112146.6 Ų146.660%0.59973%0.731SS**THydrogen-bonded Turntrans-148.83.3164.3-155.511.8000116.9D646 N650 T651D646-N648 PolarHBondContact O-N 2.95Å; N648-N650 PolarHBondContact O-N 2.89Å; N648-T651 PolarHBondContact O-N 3.48Å; N648-T651 VanDerWaalsContact OD1-CB 3.26Å; N648-T651 WeakPolarHBondContact OD1-CB 3.27Å; N648-T651 PolarHBondContact OD1-OG1 3.46Å
649K40.7Very low37.3Very low172 Ų172144 Ų14475%0.74872%0.723SS**Hα-helixtrans-70.1-19.9173.5-67.5-175.8-178.3175.80112.9
650N35.4Very low37.8Very low134 Ų134141.7 Ų141.772%0.71772%0.715SS**Hα-helixtrans-82.4-11.6179.5-73-18.8000115.1N648 R654N648-N650 PolarHBondContact O-N 2.89Å; N650-R654 PolarHBondContact O-N 3.43Å
651T43.6Very low38.5Very low66 Ų66139.1 Ų139.141%0.40571%0.707SS.*Hα-helixtrans-83.4-32.3179.4-41.10000112.1N648 R654 R655N648-T651 PolarHBondContact O-N 3.48Å; N648-T651 VanDerWaalsContact OD1-CB 3.26Å; N648-T651 WeakPolarHBondContact OD1-CB 3.27Å; N648-T651 PolarHBondContact OD1-OG1 3.46Å; T651-R654 PolarHBondContact O-N 2.97Å; T651-R655 PolarHBondContact O-N 3.46Å
652A38.7Very low39Very low65 Ų65142.2 Ų142.254%0.53771%0.71SS.*Hα-helixtrans-68.1-41.1177.500000111.7R654 R655A652-R654 VanDerWaalsContact C-N 3.33Å; A652-R654 PolarHBondContact O-N 3.48Å; A652-R655 PolarHBondContact O-N 3.48Å
653L37.4Very low39.5Very low120 Ų120140 Ų14063%0.62871%0.706SS**Hα-helixtrans-71-27.2175.6-69.8176.7000113.1I656 R657L653-I656 PolarHBondContact O-N 2.98Å; L653-R657 PolarHBondContact O-N 2.96Å
654R37.6Very low40.1Very low186 Ų186137.2 Ų137.270%0.70269%0.689SS**Hα-helixtrans-69.1-34.9175.3-124.8178.9-173.5176.52.2112.9N650 T651 A652 I656 R657 D658N650-R654 PolarHBondContact O-N 3.43Å; T651-R654 PolarHBondContact O-N 2.97Å; A652-R654 VanDerWaalsContact C-N 3.33Å; A652-R654 PolarHBondContact O-N 3.48Å; R654-I656 VanDerWaalsContact C-N 3.33Å; R654-I656 PolarHBondContact O-N 3.41Å; R654-R657 PolarHBondContact O-N 3.12Å; R654-D658 PolarHBondContact O-N 3.31Å
655R41.1Very low41Very low195 Ų195136.2 Ų136.274%0.73668%0.684SS**Hα-helixtrans-72.9-24.7177.4-68.9-171.2-171.1173.33.3113.8T651 A652T651-R655 PolarHBondContact O-N 3.46Å; A652-R655 PolarHBondContact O-N 3.48Å
656I43.1Very low41.8Very low116 Ų116136.7 Ų136.760%0.59569%0.686SS**Hα-helixtrans-80.3-28.9175.3-58.6172.7000110.4L653 R654 D658 N659L653-I656 PolarHBondContact O-N 2.98Å; R654-I656 VanDerWaalsContact C-N 3.33Å; R654-I656 PolarHBondContact O-N 3.41Å; I656-D658 VanDerWaalsContact C-N 3.35Å; I656-D658 PolarHBondContact O-N 3.23Å; I656-N659 PolarHBondContact O-N 2.77Å
657R41.5Very low42.5Very low208 Ų208131 Ų13179%0.78566%0.658SS**Hα-helixtrans-71.3-28.5179.4-150.4172.5-168.3173.92.5113.7L653 R654L653-R657 PolarHBondContact O-N 2.96Å; R654-R657 PolarHBondContact O-N 3.12Å
658D47.3Very low43.4Very low125 Ų125129.2 Ų129.267%0.66865%0.648SS**THydrogen-bonded Turntrans-90.5-4.1-179.7-61.1-15.3000113.4R654 I656R654-D658 PolarHBondContact O-N 3.31Å; I656-D658 VanDerWaalsContact C-N 3.35Å; I656-D658 PolarHBondContact O-N 3.23Å
659N40.7Very low44.3Very low128 Ų128126.1 Ų126.168%0.68464%0.643SS**THydrogen-bonded Turntrans-111.38.7176.4-94.432.2000113.3I656 D661I656-N659 PolarHBondContact O-N 2.77Å; N659-D661 PolarHBondContact O-N 3.06Å
660V44.8Very low45.3Very low103 Ų103124.9 Ų124.962%0.62464%0.64SS**  trans-75.869.8151.9-171.20000105E662V660-E662 PolarHBondContact O-N 3.07Å
661D45.1Very low46.8Very low128 Ų128124.3 Ų124.368%0.68463%0.633SS**  trans-43.3115.6155.4-80.5-41.2000103.8N659 I663N659-D661 PolarHBondContact O-N 3.06Å; D661-I663 PolarHBondContact O-N 3.2Å
662E44Very low48.2Very low173 Ų173129.1 Ų129.181%0.80864%0.644SS**  trans-42.9101.8166.2-69.4175.3171.200104.9V660 S664V660-E662 PolarHBondContact O-N 3.07Å; E662-S664 WeakPolarHBondContact O-CA 3.47Å; E662-S664 PolarHBondContact O-N 3.18Å; E662-S664 PolarHBondContact O-OG 3.34Å
663I43.3Very low50Low138 Ų138129.9 Ų129.971%0.70864%0.642SS**  trans-54.696.3167.94.8171.6000101.2D661 L665D661-I663 PolarHBondContact O-N 3.2Å; I663-L665 VanDerWaalsContact C-N 3.35Å; I663-L665 PolarHBondContact O-N 2.95Å
664S44.2Very low52Low72 Ų72128.9 Ų128.950%0.50363%0.633SS.*  trans-57.2110.2-170.8-81.20000103.7E662 N666 S667E662-S664 WeakPolarHBondContact O-CA 3.47Å; E662-S664 PolarHBondContact O-N 3.18Å; E662-S664 PolarHBondContact O-OG 3.34Å; S664-N666 PolarHBondContact O-N 3.23Å; S664-S667 PolarHBondContact O-N 3.36Å; S664-S667 PolarHBondContact O-OG 3.45Å
665L47.5Very low54.2Low142 Ų142126.8 Ų126.874%0.74363%0.63SS**G310 helixtrans-58.60.5177-75.3164.9000111.7I663 S667I663-L665 VanDerWaalsContact C-N 3.35Å; I663-L665 PolarHBondContact O-N 2.95Å; L665-S667 VanDerWaalsContact C-N 3.35Å
666N50.7Low56.3Low156 Ų156122.4 Ų122.483%0.83462%0.618SS**G310 helixtrans-80.1-7.4169.3-57.8-29.3000113.9S664 E668S664-N666 PolarHBondContact O-N 3.23Å; N666-E668 VanDerWaalsContact C-N 3.34Å
667S52.2Low58.2Low38 Ų38123.3 Ų123.327%0.26662%0.619SS.*G310 helixtrans-89.53.417372.10000113.8S664 L665 G669 E670 Q671S664-S667 PolarHBondContact O-N 3.36Å; S664-S667 PolarHBondContact O-OG 3.45Å; L665-S667 VanDerWaalsContact C-N 3.35Å; S667-G669 PolarHBondContact O-N 3.22Å; S667-E670 PolarHBondContact O-N 3.38Å; S667-Q671 PolarHBondContact O-N 3.37Å; S667-Q671 VanDerWaalsContact O-N 3.08Å
668E54.6Low60.2Low136 Ų136121.4 Ų121.464%0.63661%0.612SS**Hα-helixtrans-51.9-28175.1-122.2-179.2-171.700112.2N666 R672N666-E668 VanDerWaalsContact C-N 3.34Å; E668-R672 WeakPolarHBondContact O-CB 3.42Å; E668-R672 PolarHBondContact O-N 3.16Å
669G56.2Low62.1Low47 Ų47121.8 Ų121.849%0.48561%0.605SS.*Hα-helixtrans-62-51.9172.400000113.1S667 T673S667-G669 PolarHBondContact O-N 3.22Å; G669-T673 WeakPolarHBondContact O-CB 3.47Å; G669-T673 PolarHBondContact O-N 3.5Å; G669-T673 PolarHBondContact O-OG1 3.15Å
670E63.1Low64.1Low147 Ų147118.5 Ų118.569%0.68760%0.596SS**Hα-helixtrans-73.8-43.9-176.7-80.5175.8166.300111.7S667 R672 T673 E674S667-E670 PolarHBondContact O-N 3.38Å; E670-R672 VanDerWaalsContact C-N 3.33Å; E670-R672 PolarHBondContact O-N 3.33Å; E670-T673 PolarHBondContact O-N 3.33Å; E670-T673 VanDerWaalsContact O-N 3.16Å; E670-E674 PolarHBondContact O-N 3.26Å
671Q66.9Low66Low121 Ų121119.1 Ų119.157%0.56559%0.592SS**Hα-helixtrans-64.6-38.2178.5-67.4-167.44.800112.2S667 E674 F675S667-Q671 PolarHBondContact O-N 3.37Å; S667-Q671 VanDerWaalsContact O-N 3.08Å; Q671-E674 PolarHBondContact O-N 3.04Å; Q671-F675 WeakPolarHBondContact O-CB 3.24Å; Q671-F675 PolarHBondContact O-N 2.99Å
672R71.3Confident67.8Low168 Ų168117 Ų11763%0.63458%0.58SS**Hα-helixtrans-67.9-37.3174.5-172.2175.8178.1169.37.8111.8E668 E670 F675 E676E668-R672 WeakPolarHBondContact O-CB 3.42Å; E668-R672 PolarHBondContact O-N 3.16Å; E670-R672 VanDerWaalsContact C-N 3.33Å; E670-R672 PolarHBondContact O-N 3.33Å; R672-F675 PolarHBondContact O-N 2.76Å; R672-E676 IonicContact NE-OE1 2.66Å; R672-E676 PolarHBondContact NE-OE1 3.02Å; R672-E676 WeakPolarHBondContact O-CB 3.23Å; R672-E676 WeakPolarHBondContact O-CG 3.37Å; R672-E676 PolarHBondContact O-N 3.07Å
673T76.6Confident69.7Low81 Ų81111.7 Ų111.750%0.49756%0.556SS.*Hα-helixtrans-65.7-42.7175.8-490000110.9G669 E670 E676 Q677G669-T673 WeakPolarHBondContact O-CB 3.47Å; G669-T673 PolarHBondContact O-N 3.5Å; G669-T673 PolarHBondContact O-OG1 3.15Å; E670-T673 PolarHBondContact O-N 3.33Å; E670-T673 VanDerWaalsContact O-N 3.16Å; T673-E676 PolarHBondContact O-N 2.88Å; T673-Q677 VanDerWaalsContact O-CB 3.27Å; T673-Q677 WeakPolarHBondContact O-CB 3.41Å; T673-Q677 PolarHBondContact O-N 3.04Å
674E79.9Confident71.4Confident98 Ų98107.5 Ų107.546%0.45854%0.543SS..Hα-helixtrans-63.6-43.5174.3-76.6-169.9-154.600112.2E670 Q671 Q677 R678E670-E674 PolarHBondContact O-N 3.26Å; Q671-E674 PolarHBondContact O-N 3.04Å; E674-Q677 PolarHBondContact O-N 2.88Å; E674-R678 WeakPolarHBondContact O-CB 3.48Å; E674-R678 WeakPolarHBondContact O-CG 3.32Å; E674-R678 PolarHBondContact O-N 3.12Å; E674-R678 IonicContact OE2-NH2 3.94Å; E674-R678 PolarHBondContact OE2-NH2 3.25Å
675F84.5Confident73Confident142 Ų142111.3 Ų111.362%0.62355%0.55SS**Hα-helixtrans-61.5-47.8176.4177.8-93.4000111.3Q671 R672 Q677 R678 Y679Q671-F675 WeakPolarHBondContact O-CB 3.24Å; Q671-F675 PolarHBondContact O-N 2.99Å; R672-F675 PolarHBondContact O-N 2.76Å; F675-Q677 VanDerWaalsContact C-N 3.28Å; F675-Q677 PolarHBondContact O-N 3.37Å; F675-R678 PolarHBondContact O-N 3.16Å; F675-Y679 VanDerWaalsContact O-CB 3.23Å; F675-Y679 WeakPolarHBondContact O-CB 3.1Å; F675-Y679 PolarHBondContact O-N 2.98Å
676E84.3Confident74.4Confident104 Ų104113.1 Ų113.149%0.48655%0.548SS..Hα-helixtrans-61.7-36.9176.7-81.5173-171.100111.7R672 T673 A680R672-E676 IonicContact NE-OE1 2.66Å; R672-E676 PolarHBondContact NE-OE1 3.02Å; R672-E676 WeakPolarHBondContact O-CB 3.23Å; R672-E676 WeakPolarHBondContact O-CG 3.37Å; R672-E676 PolarHBondContact O-N 3.07Å; T673-E676 PolarHBondContact O-N 2.88Å; E676-A680 VanDerWaalsContact O-CB 3.22Å; E676-A680 WeakPolarHBondContact O-CB 3.46Å; E676-A680 PolarHBondContact O-N 2.97Å
677Q82.8Confident75.6Confident134 Ų134110.8 Ų110.863%0.62654%0.535SS*.Hα-helixtrans-70-43.7177.7-163.2169.413.700112T673 E674 F675 A680 E681T673-Q677 VanDerWaalsContact O-CB 3.27Å; T673-Q677 WeakPolarHBondContact O-CB 3.41Å; T673-Q677 PolarHBondContact O-N 3.04Å; E674-Q677 PolarHBondContact O-N 2.88Å; F675-Q677 VanDerWaalsContact C-N 3.28Å; F675-Q677 PolarHBondContact O-N 3.37Å; Q677-A680 PolarHBondContact O-N 2.7Å; Q677-E681 WeakPolarHBondContact O-CB 2.94Å; Q677-E681 PolarHBondContact O-N 3.32Å
678R84.4Confident76.2Confident169 Ų169114.4 Ų114.464%0.63856%0.558SS**Hα-helixtrans-65.3-39.6174.3-69.8-177.1-157.1-158.49.6111.6E674 F675 E681 L682E674-R678 WeakPolarHBondContact O-CB 3.48Å; E674-R678 WeakPolarHBondContact O-CG 3.32Å; E674-R678 PolarHBondContact O-N 3.12Å; E674-R678 IonicContact OE2-NH2 3.94Å; E674-R678 PolarHBondContact OE2-NH2 3.25Å; F675-R678 PolarHBondContact O-N 3.16Å; R678-E681 PolarHBondContact O-N 3.01Å; R678-L682 WeakPolarHBondContact O-CB 3.36Å; R678-L682 PolarHBondContact O-N 3.24Å
679Y87.5Confident76.4Confident133 Ų133112 Ų11252%0.52255%0.552SS.*Hα-helixtrans-65.2-44.7175.6-175.3-99.7000111.2F675 E681 L682 I683F675-Y679 VanDerWaalsContact O-CB 3.23Å; F675-Y679 WeakPolarHBondContact O-CB 3.1Å; F675-Y679 PolarHBondContact O-N 2.98Å; Y679-E681 VanDerWaalsContact C-N 3.33Å; Y679-E681 PolarHBondContact O-N 2.9Å; Y679-L682 WeakPolarHBondContact O-CB 3.27Å; Y679-L682 PolarHBondContact O-N 3.06Å; Y679-I683 HydrophobicContact CD1-CG1 4.02Å; Y679-I683 HydrophobicContact CE1-CD1 4.23Å; Y679-I683 HydrophobicContact CE1-CG1 3.64Å; Y679-I683 HydrophobicContact CE2-CD1 4.26Å; Y679-I683 HydrophobicContact CE2-CG1 4.2Å; Y679-I683 HydrophobicContact CG-CG1 4.44Å; Y679-I683 WeakPolarHBondContact O-CB 3.19Å; Y679-I683 VanDerWaalsContact O-CG1 3.24Å; Y679-I683 WeakPolarHBondContact O-CG1 3.26Å; Y679-I683 PolarHBondContact O-N 3.41Å
680A82.7Confident76.4Confident58 Ų58117.7 Ų117.748%0.47957%0.566SS.*Hα-helixtrans-62.4-39.6175.700000112.2E676 Q677 A684E676-A680 VanDerWaalsContact O-CB 3.22Å; E676-A680 WeakPolarHBondContact O-CB 3.46Å; E676-A680 PolarHBondContact O-N 2.97Å; Q677-A680 PolarHBondContact O-N 2.7Å; A680-A684 VanDerWaalsContact O-CB 3.24Å; A680-A684 WeakPolarHBondContact O-CB 3.47Å; A680-A684 PolarHBondContact O-N 2.74Å
681E84.3Confident75.8Confident116 Ų116120.6 Ų120.654%0.54257%0.571SS.*Hα-helixtrans-65.8-42.4175-168.3-175.6159.400111.9Q677 R678 Y679 A684 K685Q677-E681 WeakPolarHBondContact O-CB 2.94Å; Q677-E681 PolarHBondContact O-N 3.32Å; R678-E681 PolarHBondContact O-N 3.01Å; Y679-E681 VanDerWaalsContact C-N 3.33Å; Y679-E681 PolarHBondContact O-N 2.9Å; E681-A684 PolarHBondContact O-N 3.06Å; E681-K685 PolarHBondContact O-N 2.91Å; E681-K685 VanDerWaalsContact O-N 3.14Å; E681-K685 IonicContact OE1-NZ 3.66Å
682L83.7Confident75Confident84 Ų84121.5 Ų121.544%0.4458%0.575SS.*Hα-helixtrans-58.7-52.3174.6-172.378000110.3R678 Y679 A684 K685 Y686R678-L682 WeakPolarHBondContact O-CB 3.36Å; R678-L682 PolarHBondContact O-N 3.24Å; Y679-L682 WeakPolarHBondContact O-CB 3.27Å; Y679-L682 PolarHBondContact O-N 3.06Å; L682-A684 VanDerWaalsContact C-N 3.29Å; L682-A684 PolarHBondContact O-N 3.16Å; L682-K685 WeakPolarHBondContact O-CB 3.41Å; L682-K685 PolarHBondContact O-N 2.86Å; L682-K685 VanDerWaalsContact O-N 3.07Å; L682-Y686 HydrophobicContact CD1-CE2 3.71Å; L682-Y686 HydrophobicContact CG-CD2 4.22Å; L682-Y686 HydrophobicContact CG-CE2 3.8Å; L682-Y686 WeakPolarHBondContact O-CD2 3.26Å; L682-Y686 PolarHBondContact O-N 3.23Å
683I84Confident73.8Confident61 Ų61118.1 Ų118.131%0.31358%0.577SS.*Hα-helixtrans-62-36.8179.2-67-63.2000111.2Y679 K685 Y686 L687Y679-I683 HydrophobicContact CD1-CG1 4.02Å; Y679-I683 HydrophobicContact CE1-CD1 4.23Å; Y679-I683 HydrophobicContact CE1-CG1 3.64Å; Y679-I683 HydrophobicContact CE2-CD1 4.26Å; Y679-I683 HydrophobicContact CE2-CG1 4.2Å; Y679-I683 HydrophobicContact CG-CG1 4.44Å; Y679-I683 WeakPolarHBondContact O-CB 3.19Å; Y679-I683 VanDerWaalsContact O-CG1 3.24Å; Y679-I683 WeakPolarHBondContact O-CG1 3.26Å; Y679-I683 PolarHBondContact O-N 3.41Å; I683-K685 VanDerWaalsContact C-N 3.27Å; I683-K685 PolarHBondContact O-N 2.95Å; I683-Y686 PolarHBondContact O-N 3.48Å; I683-L687 HydrophobicContact CG2-CD1 3.3Å; I683-L687 WeakPolarHBondContact O-CB 3.43Å; I683-L687 PolarHBondContact O-N 3.15Å
684A78.5Confident72.4Confident51 Ų51122.4 Ų122.442%0.42159%0.589SS.*Hα-helixtrans-67.6-22.817600000114A680 E681 L682 V689A680-A684 VanDerWaalsContact O-CB 3.24Å; A680-A684 WeakPolarHBondContact O-CB 3.47Å; A680-A684 PolarHBondContact O-N 2.74Å; E681-A684 PolarHBondContact O-N 3.06Å; L682-A684 VanDerWaalsContact C-N 3.29Å; L682-A684 PolarHBondContact O-N 3.16Å; A684-V689 WeakPolarHBondContact O-CG2 3.4Å
685K78.3Confident70.9Confident152 Ų152126.8 Ų126.866%0.66161%0.607SS**Hα-helixtrans-73.9-36.4171.7-72.1176.4-177.3174.80112.1E681 L682 I683E681-K685 PolarHBondContact O-N 2.91Å; E681-K685 VanDerWaalsContact O-N 3.14Å; E681-K685 IonicContact OE1-NZ 3.66Å; L682-K685 WeakPolarHBondContact O-CB 3.41Å; L682-K685 PolarHBondContact O-N 2.86Å; L682-K685 VanDerWaalsContact O-N 3.07Å; I683-K685 VanDerWaalsContact C-N 3.27Å; I683-K685 PolarHBondContact O-N 2.95Å
686Y75.9Confident69.2Low179 Ų179126.9 Ų126.970%0.70261%0.614SS**Hα-helixtrans-91.7-24.7-177.3-62.4-70.3000113.6L682 I683L682-Y686 HydrophobicContact CD1-CE2 3.71Å; L682-Y686 HydrophobicContact CG-CD2 4.22Å; L682-Y686 HydrophobicContact CG-CE2 3.8Å; L682-Y686 WeakPolarHBondContact O-CD2 3.26Å; L682-Y686 PolarHBondContact O-N 3.23Å; I683-Y686 PolarHBondContact O-N 3.48Å
687L75.5Confident67.5Low107 Ų107128.8 Ų128.856%0.5663%0.627SS**SBendtrans-74.6131.5170.5-105.2107000109.6I683 V689I683-L687 HydrophobicContact CG2-CD1 3.3Å; I683-L687 WeakPolarHBondContact O-CB 3.43Å; I683-L687 PolarHBondContact O-N 3.15Å; L687-V689 VanDerWaalsContact C-N 3.32Å; L687-V689 PolarHBondContact O-N 3.36Å
688P65Low65.8Low115 Ų115134.5 Ų134.575%0.74764%0.643SS**  trans-58.398.9165.6-19.130.8000108.6E690P688-E690 PolarHBondContact O-N 2.94Å
689V58.9Low64.1Low84 Ų84130.6 Ų130.651%0.50964%0.641SS.*  trans-74.684.8170.2-168.90000105.8A684 L687 R691A684-V689 WeakPolarHBondContact O-CG2 3.4Å; L687-V689 VanDerWaalsContact C-N 3.32Å; L687-V689 PolarHBondContact O-N 3.36Å; V689-R691 HydrophobicContact CB-CG 4.22Å; V689-R691 HydrophobicContact CG1-CG 3.41Å; V689-R691 VanDerWaalsContact CG1-CG 3.41Å; V689-R691 PolarHBondContact O-N 3.04Å
690E55.6Low62.1Low168 Ų168134.2 Ų134.279%0.78565%0.654SS**  trans-6184.3159.6-74.6-178.1172.800107.1P688 Q692P688-E690 PolarHBondContact O-N 2.94Å; E690-Q692 PolarHBondContact O-N 3.45Å
691R51.4Low60.4Low207 Ų207143.6 Ų143.678%0.78168%0.677SS**  trans-70.152.2168.4-63.6-173.4-175.9179.11.7109V689 S693V689-R691 HydrophobicContact CB-CG 4.22Å; V689-R691 HydrophobicContact CG1-CG 3.41Å; V689-R691 VanDerWaalsContact CG1-CG 3.41Å; V689-R691 PolarHBondContact O-N 3.04Å; R691-S693 PolarHBondContact O-N 3.38Å
692Q49.3Very low58.8Low140 Ų140143.2 Ų143.265%0.65468%0.683SS**  trans-79.367.7159.3-62-61.7-36.100106.6E690 K694E690-Q692 PolarHBondContact O-N 3.45Å; Q692-K694 PolarHBondContact O-N 2.97Å
693S46Very low57.2Low97 Ų97147.6 Ų147.668%0.67870%0.699SS**  trans-71.557.5167.957.50000109.6R691 K695R691-S693 PolarHBondContact O-N 3.38Å; S693-K695 PolarHBondContact O-N 2.98Å
694K47Very low55.5Low172 Ų172150.9 Ų150.975%0.74872%0.721SS**  trans-71.980.2159.8-71.1-175.4-178.8176.90106.9Q692 N696Q692-K694 PolarHBondContact O-N 2.97Å; K694-N696 PolarHBondContact O-N 3.39Å
695K48.8Very low54.2Low189 Ų189156.7 Ų156.782%0.82275%0.745SS**  trans-61.185.5157.4-68.7176.9-179.3175.70106.4S693S693-K695 PolarHBondContact O-N 2.98Å
696N48.7Very low52.7Low145 Ų145155 Ų15578%0.77574%0.743SS**  trans167.980.9160.4-83.3-17.2000106.3K694K694-N696 PolarHBondContact O-N 3.39Å
697D49.3Very low51.5Low143 Ų143157.5 Ų157.577%0.76575%0.751SS**  trans-17860.7139.5-87-24000108.6S699D697-S699 PolarHBondContact O-N 3.43Å
698R46.2Very low50.3Low254 Ų254160.8 Ų160.896%0.95876%0.761SS**  trans-71.142.1144.8-127.7176.6-173171.81.7108.7R700R698-R700 PolarHBondContact O-N 3.16Å; R698-R700 VanDerWaalsContact O-N 3.09Å
699S49.9Very low49.3Very low87 Ų87160.1 Ų160.161%0.60876%0.759SS**  trans-66.4108.3166.3-179.30000104.8D697 R701D697-S699 PolarHBondContact O-N 3.43Å; S699-R701 PolarHBondContact O-N 3.49Å; S699-R701 VanDerWaalsContact O-N 3.13Å
700R44.9Very low48.7Very low209 Ų209163.8 Ų163.879%0.78977%0.768SS**  trans-35.3121.3174.2-76171.3157.9-156.8-4.6109.4R698 T702R698-R700 PolarHBondContact O-N 3.16Å; R698-R700 VanDerWaalsContact O-N 3.09Å; R700-T702 HydrophobicContact CB-CG2 4.41Å; R700-T702 PolarHBondContact O-N 3.03Å
701R48.1Very low48.1Very low256 Ų256159.8 Ų159.897%0.96676%0.759SS**SBendtrans-63.642.2173.2-67.4171.779.5132.8-2.1112.5S699S699-R701 PolarHBondContact O-N 3.49Å; S699-R701 VanDerWaalsContact O-N 3.13Å
702T50Low48Very low107 Ų107159.2 Ų159.266%0.65676%0.762SS**  trans-116.228.3-177.262.50000112.2R700R700-T702 HydrophobicContact CB-CG2 4.41Å; R700-T702 PolarHBondContact O-N 3.03Å
703K50.3Low47.8Very low177 Ų177162 Ų16277%0.7777%0.772SS**SBendtrans-137.2112.8164.1-68.8-172.1177179.40107.9L705K703-L705 PolarHBondContact O-N 3.12Å
704T47.5Very low47.7Very low129 Ų129163.3 Ų163.379%0.79177%0.772SS**  trans-33.7130160.337.20000109.6D706T704-D706 PolarHBondContact O-N 3.26Å
705L50.9Low47.6Very low174 Ų174160.9 Ų160.991%0.91176%0.763SS**  trans-35.6108.9173.4-90.3144.2000109.9K703 R707K703-L705 PolarHBondContact O-N 3.12Å; L705-R707 PolarHBondContact O-N 3.02Å
706D48Very low47.4Very low117 Ų117158.9 Ų158.963%0.62676%0.761SS**  trans-60.5110.8168.6-86.4-36.1000106.1T704 F708 S709T704-D706 PolarHBondContact O-N 3.26Å; D706-F708 PolarHBondContact O-N 3.25Å; D706-S709 PolarHBondContact O-N 3.42Å
707R51.4Low47.2Very low230 Ų230162.5 Ų162.587%0.86876%0.764SS**THydrogen-bonded Turntrans-58.4-3.1-177.9-155177.8-160-176.55.1113.3L705L705-R707 PolarHBondContact O-N 3.02Å
708F48.5Very low46.9Very low177 Ų177165.5 Ų165.578%0.77677%0.766SS**THydrogen-bonded Turntrans-127.519.4-173.2-64.3-74.3000114.4D706 K710D706-F708 PolarHBondContact O-N 3.25Å; F708-K710 PolarHBondContact O-N 2.93Å
709S44.5Very low46.7Very low101 Ų101157.2 Ų157.271%0.70675%0.747SS**  trans-74.469.6161.3-72.60000109.8D706 S711D706-S709 PolarHBondContact O-N 3.42Å; S709-S711 PolarHBondContact O-N 3.29Å
710K45.5Very low46.2Very low161 Ų161163.8 Ų163.870%0.776%0.76SS**  trans-61.889.2155.6-76.5-173.9168.9-160.50106.1F708 K712 E715F708-K710 PolarHBondContact O-N 2.93Å; K710-K712 PolarHBondContact O-N 3.02Å; K710-E715 IonicContact NZ-OE1 3.01Å
711S44.3Very low46.3Very low84 Ų84160.1 Ų160.159%0.58776%0.755SS**  trans-60.3125.4167.276.70000106S709 F713S709-S711 PolarHBondContact O-N 3.29Å; S711-F713 PolarHBondContact O-N 3.45Å
712K48.6Very low46Very low195 Ų195154.7 Ų154.785%0.84875%0.745SS**THydrogen-bonded Turntrans-63.212.8-179.8-66.6-174.6174.5-176.80113.6K710K710-K712 PolarHBondContact O-N 3.02Å
713F45.6Very low46Very low199 Ų199155.5 Ų155.587%0.87375%0.75SS**THydrogen-bonded Turntrans-106.1-2.5-173.9-102.6-84.9000114.2S711S711-F713 PolarHBondContact O-N 3.45Å
714N44.3Very low45.7Very low124 Ų124150.8 Ų150.866%0.66374%0.74SS**SBendtrans-122.416.2178.3-150.57.9000114.9
715E44.9Very low45.6Very low120 Ų120151.9 Ų151.956%0.56174%0.74SS**SBendtrans-87.11.5-176.4-142.8155.5-147.300113.9K710K710-E715 IonicContact NZ-OE1 3.01Å
716N44.2Very low45.5Very low147 Ų147150.4 Ų150.479%0.78674%0.738SS**SBendtrans-122.816.1-171.1-81.36000117.6
717R45.2Very low45.4Very low222 Ų222153.9 Ų153.984%0.83875%0.748SS**SBendtrans-110.1-14.2169.3-71-165.7-160.9-176.36.2115.7
718Y42.8Very low45.2Very low205 Ų205152.7 Ų152.780%0.80475%0.749SS**SBendtrans-130.920.7-177.6-67.7-76.2000113.9Y720Y718-Y720 PolarHBondContact O-N 3.4Å
719S40.4Very low45Very low81 Ų81155.3 Ų155.357%0.56675%0.754SS**THydrogen-bonded Turntrans-80.15.2175.558.60000114.2I721S719-I721 PolarHBondContact O-N 3.08Å
720Y41.1Very low45.1Very low225 Ų225154.5 Ų154.588%0.88275%0.753SS**THydrogen-bonded Turntrans-81.24.7177.4-120.7-84.5000115Y718 D722Y718-Y720 PolarHBondContact O-N 3.4Å; Y720-D722 PolarHBondContact O-N 2.75Å
721I45.4Very low45.1Very low132 Ų132152.6 Ų152.668%0.67776%0.755SS**  trans-95.481.4165.7-41.9179.2000107S719 T723S719-I721 PolarHBondContact O-N 3.08Å; I721-T723 HydrophobicContact CB-CG2 4.32Å; I721-T723 HydrophobicContact CG2-CG2 3.47Å; I721-T723 VanDerWaalsContact CG2-CG2 3.47Å; I721-T723 PolarHBondContact O-N 2.97Å
722D42.1Very low45.3Very low142 Ų142153.6 Ų153.676%0.75976%0.757SS**  trans-53.184.5156.3-102.1-32000107.7Y720 S724Y720-D722 PolarHBondContact O-N 2.75Å; D722-S724 PolarHBondContact O-N 3.36Å
723T50.3Low45.3Very low124 Ų124152 Ų15276%0.76176%0.757SS**  trans-83.248.5169.850.40000109I721I721-T723 HydrophobicContact CB-CG2 4.32Å; I721-T723 HydrophobicContact CG2-CG2 3.47Å; I721-T723 VanDerWaalsContact CG2-CG2 3.47Å; I721-T723 PolarHBondContact O-N 2.97Å
724S45.1Very low45.2Very low78 Ų78150.1 Ų150.155%0.54575%0.751SS.*  trans-77.7123.2159.851.30000107.9D722 V726D722-S724 PolarHBondContact O-N 3.36Å; S724-V726 PolarHBondContact O-N 3.46Å
725D44.1Very low45.4Very low151 Ų151154.9 Ų154.981%0.80776%0.76SS**SBendtrans73.18.7157.3-61.3-14.5000122.8K727D725-K727 VanDerWaalsContact C-N 3.3Å; D725-K727 PolarHBondContact O-N 2.97Å
726V49.5Very low45.4Very low143 Ų143156.1 Ų156.187%0.86777%0.77SS**  trans-81.284.8166.6-163.50000110.6S724 K728S724-V726 PolarHBondContact O-N 3.46Å; V726-K728 PolarHBondContact O-N 2.93Å
727K45.4Very low45.7Very low190 Ų190156.7 Ų156.783%0.82677%0.768SS**  trans-43.3108.8170-71.8172.2178.4170.70111.1D725 R729D725-K727 VanDerWaalsContact C-N 3.3Å; D725-K727 PolarHBondContact O-N 2.97Å; K727-R729 PolarHBondContact O-N 2.92Å
728K47.6Very low46Very low206 Ų206154.6 Ų154.690%0.89677%0.766SS**  trans-7.483.3148.7-57.1175.1-176.5177.70114.2V726V726-K728 PolarHBondContact O-N 2.93Å
729R44.9Very low46.4Very low231 Ų231155.4 Ų155.487%0.87277%0.767SS**  trans-105.481.3146.3-88.9-175.5-178.2159.71106K727 V731K727-R729 PolarHBondContact O-N 2.92Å; R729-V731 VanDerWaalsContact C-N 3.26Å; R729-V731 PolarHBondContact O-N 3.17Å
730A46.4Very low47Very low84 Ų84163.1 Ų163.169%0.69478%0.784SS**  trans-62.2103.3156.800000105.1T732A730-T732 PolarHBondContact O-N 3.31Å
731V45.7Very low47.9Very low122 Ų122160.9 Ų160.974%0.73978%0.779SS**  trans-68.379.8165.1179.70000104.8R729 L733R729-V731 VanDerWaalsContact C-N 3.26Å; R729-V731 PolarHBondContact O-N 3.17Å; V731-L733 PolarHBondContact O-N 3.33Å
732T47.1Very low48.5Very low104 Ų104165.4 Ų165.464%0.63879%0.787SS**  trans-63.6101.9158.5480000104.2A730 E734A730-T732 PolarHBondContact O-N 3.31Å; T732-E734 PolarHBondContact O-N 3.48Å
733L48.5Very low49.5Very low162 Ų162170 Ų17085%0.84879%0.794SS**  trans-52.293.8152.9-113.2115.9000104.5V731 R735V731-L733 PolarHBondContact O-N 3.33Å; L733-R735 PolarHBondContact O-N 3.19Å
734E43.9Very low49.9Very low160 Ų160172 Ų17275%0.74880%0.799SS**  trans-53.6122.3175.7-72.5-174.2162.900105.7T732 N736T732-E734 PolarHBondContact O-N 3.48Å; E734-N736 VanDerWaalsContact C-N 3.32Å; E734-N736 PolarHBondContact O-N 3.03Å
735R48.7Very low50.7Low223 Ų223176.3 Ų176.384%0.84281%0.811SS**  trans-54.3103.2173.3-89.5178.5156.293-1.3106.2L733 E737L733-R735 PolarHBondContact O-N 3.19Å; R735-E737 HydrophobicContact CB-CG 4.49Å; R735-E737 PolarHBondContact O-N 3.49Å
736N46Very low51.7Low146 Ų146174.9 Ų174.978%0.78181%0.81SS**  trans-62.687.8167.1-90.8-33.6000107.6E734 F738E734-N736 VanDerWaalsContact C-N 3.32Å; E734-N736 PolarHBondContact O-N 3.03Å; N736-F738 PolarHBondContact O-N 2.91Å
737E49.6Very low52.1Low159 Ų159176.9 Ų176.974%0.74381%0.807SS**  trans-67.9-11.6172.5-69.1-171.216100111.5R735 R739R735-E737 HydrophobicContact CB-CG 4.49Å; R735-E737 PolarHBondContact O-N 3.49Å; E737-R739 PolarHBondContact O-N 3.25Å
738F51.3Low52.7Low178 Ų178172.9 Ų172.978%0.78180%0.8SS**SBendtrans-93.972.6178-55.8-73.1000111.8N736N736-F738 PolarHBondContact O-N 2.91Å
739R50.6Low53.1Low222 Ų222167.4 Ų167.484%0.83878%0.784SS**  trans165.377.7146.4-89.3158.4-170.3-169.44.8106.8E737 K741E737-R739 PolarHBondContact O-N 3.25Å; R739-K741 PolarHBondContact O-N 3.25Å
740R54.7Low53.9Low244 Ų244162.9 Ų162.992%0.92178%0.782SS**  trans-61.482.1149.6-77-177.6-179.2161.62.1106.6R742R740-R742 PolarHBondContact O-N 2.97Å
741K59.2Low54.4Low178 Ų178163.9 Ų163.977%0.77478%0.776SS**  trans-52.3117.2156.8-72.4-169.5176.7-176.90103.7R739 R743R739-K741 PolarHBondContact O-N 3.25Å; K741-R743 PolarHBondContact O-N 3.14Å
742R58.6Low54.9Low226 Ų226161.3 Ų161.385%0.85376%0.757SS**  trans-48122.4171.4-72.9-177.8177.8172.5-0104.7R740 L744R740-R742 PolarHBondContact O-N 2.97Å; R742-L744 VanDerWaalsContact C-N 3.31Å; R742-L744 PolarHBondContact O-N 2.93Å
743R62Low55.5Low240 Ų240162.1 Ų162.191%0.90676%0.758SS**  trans-52.1106.3176.8-62.3176.193.2133.31.7104.4K741 Q745K741-R743 PolarHBondContact O-N 3.14Å; R743-Q745 PolarHBondContact O-N 2.99Å
744L60Low55.9Low164 Ų164163 Ų16386%0.85975%0.751SS**  trans-62.5110.4175.3-69.5171.5000102.8R742R742-L744 VanDerWaalsContact C-N 3.31Å; R742-L744 PolarHBondContact O-N 2.93Å
745Q61.8Low56.7Low170 Ų170161.3 Ų161.379%0.79475%0.747SS**PPolyproline II helixtrans-58.9129.3165.8-71.7-163.7-16.300105.3R743 K747R743-Q745 PolarHBondContact O-N 2.99Å; Q745-K747 PolarHBondContact O-N 3.12Å
746P64Low57Low121 Ų121159.1 Ų159.179%0.78674%0.74SS**PPolyproline II helixtrans-53121.8176.922-30.8000106.6
747K58.4Low57.4Low185 Ų185156.2 Ų156.280%0.80473%0.728SS**PPolyproline II helixtrans-66.3129.3168-70.9-178.4177.7179.60105Q745 T749Q745-K747 PolarHBondContact O-N 3.12Å; K747-T749 PolarHBondContact O-N 3.19Å
748P58.5Low57.8Low106 Ų106154.3 Ų154.369%0.68872%0.724SS**PPolyproline II helixtrans-53.3117.9168.422.1-29.8000106.2D752P748-D752 WeakPolarHBondContact CA-OD2 3.25Å; P748-D752 WeakPolarHBondContact CB-OD2 3.44Å
749T55.8Low57.9Low91 Ų91150 Ų15056%0.55872%0.715SS**PPolyproline II helixtrans-66142.9175.531.70000106.9K747 N751 D752K747-T749 PolarHBondContact O-N 3.19Å; T749-N751 PolarHBondContact O-N 2.81Å; T749-D752 PolarHBondContact O-N 3.1Å; T749-D752 PolarHBondContact OG1-OD1 3.45Å
750V61.8Low58Low136 Ų136144 Ų14482%0.82470%0.703SS**THydrogen-bonded Turntrans-55.1-13.9176.1176.40000111.7
751N56Low57.8Low105 Ų105135.3 Ų135.356%0.56168%0.677SS**THydrogen-bonded Turntrans-914.8176.5-116.942.9000115.5T749 D753 Y754T749-N751 PolarHBondContact O-N 2.81Å; N751-D753 PolarHBondContact O-N 2.8Å; N751-Y754 HydrophobicContact CB-CD2 4.3Å; N751-Y754 WeakPolarHBondContact ND2-CD2 3.47Å; N751-Y754 WeakPolarHBondContact O-CD2 3.48Å; N751-Y754 PolarHBondContact O-N 3.28Å; N751-Y754 WeakPolarHBondContact OD1-CE2 3.46Å
752D56.4Low57.8Low67 Ų67132.2 Ų132.236%0.35868%0.676SS.*G310 helixtrans-67.3-12.1176.9-74.3-2.5000112.4P748 T749 Y754 L755 Y756P748-D752 WeakPolarHBondContact CA-OD2 3.25Å; P748-D752 WeakPolarHBondContact CB-OD2 3.44Å; T749-D752 PolarHBondContact O-N 3.1Å; T749-D752 PolarHBondContact OG1-OD1 3.45Å; D752-Y754 PolarHBondContact O-N 2.73Å; D752-Y754 VanDerWaalsContact O-N 3.15Å; D752-L755 PolarHBondContact O-N 2.89Å; D752-Y756 PolarHBondContact O-N 3.26Å
753D60.9Low57.8Low121 Ų121126.3 Ų126.365%0.64767%0.669SS**G310 helixtrans-57.9-22.1171.1-65.7-8.6000112.5N751 Y756 P757N751-D753 PolarHBondContact O-N 2.8Å; D753-Y756 CarbonylContact O-C 3.32Å; D753-P757 WeakPolarHBondContact O-CA 3.19Å
754Y56Low57.5Low182 Ų182121.4 Ų121.471%0.71465%0.654SS**G310 helixtrans-84.8-20.4173.7-63.1-70000113.8N751 D752N751-Y754 HydrophobicContact CB-CD2 4.3Å; N751-Y754 WeakPolarHBondContact ND2-CD2 3.47Å; N751-Y754 WeakPolarHBondContact O-CD2 3.48Å; N751-Y754 PolarHBondContact O-N 3.28Å; N751-Y754 WeakPolarHBondContact OD1-CE2 3.46Å; D752-Y754 PolarHBondContact O-N 2.73Å; D752-Y754 VanDerWaalsContact O-N 3.15Å
755L60.9Low57.4Low124 Ų124116.2 Ų116.265%0.64963%0.629SS**THydrogen-bonded Turntrans-80.6-28.3178-153.274.7000111.3D752D752-L755 PolarHBondContact O-N 2.89Å
756Y54.6Low57.2Low177 Ų177113.3 Ų113.369%0.69462%0.619SS**SBendtrans-132.584.4170.7-56.7-76.9000107.4D752 D753 D758D752-Y756 PolarHBondContact O-N 3.26Å; D753-Y756 CarbonylContact O-C 3.32Å; Y756-D758 PolarHBondContact O-N 3.02Å
757P54.5Low57Low84 Ų84116.3 Ų116.355%0.54562%0.62SS.*  trans-52.5112168.422.4-31.8000106.3D753 S759D753-P757 WeakPolarHBondContact O-CA 3.19Å; P757-S759 WeakPolarHBondContact O-CA 3.26Å; P757-S759 PolarHBondContact O-N 3.39Å
758D58.2Low56.9Low120 Ų120111.8 Ų111.864%0.64261%0.611SS**THydrogen-bonded Turntrans-29.197.4-170.3-153.636.9000109.8Y756 V760 K764Y756-D758 PolarHBondContact O-N 3.02Å; D758-V760 PolarHBondContact O-N 3.48Å; D758-K764 IonicContact OD2-NZ 3.41Å; D758-K764 PolarHBondContact OD2-NZ 3.21Å
759S53.2Low56.8Low86 Ų86111.4 Ų111.460%0.60160%0.603SS**THydrogen-bonded Turntrans-7.595.7-165.854.90000111.1P757 T761P757-S759 WeakPolarHBondContact O-CA 3.26Å; P757-S759 PolarHBondContact O-N 3.39Å; S759-T761 PolarHBondContact O-N 3.26Å
760V52.3Low56.7Low97 Ų97111.3 Ų111.359%0.58861%0.605SS**  trans-67.277.3175.2-1770000106.4D758 V765D758-V760 PolarHBondContact O-N 3.48Å; V760-V765 HydrophobicContact CG1-CG2 3.72Å
761T51.7Low56.1Low61 Ų61108.8 Ų108.837%0.37459%0.59SS.*  trans-63.9133.6166.249.50000104.7S759 S763 K764S759-T761 PolarHBondContact O-N 3.26Å; T761-S763 PolarHBondContact O-N 3.25Å; T761-S763 PolarHBondContact OG1-OG 3.08Å; T761-K764 PolarHBondContact O-N 2.92Å
762P57.7Low55.8Low114 Ų114113 Ų11374%0.7460%0.598SS**THydrogen-bonded Turntrans-51.9-11.7-179.1-27.332.3000115.1
763S58.7Low55.7Low102 Ų102115.3 Ų115.371%0.71362%0.62SS**THydrogen-bonded Turntrans-71.6-24174.159.50000115.5T761T761-S763 PolarHBondContact O-N 3.25Å; T761-S763 PolarHBondContact OG1-OG 3.08Å
764K57Low55.4Low137 Ų137114.9 Ų114.960%0.59662%0.616SS**SBendtrans-90.2-11.1175.4-72.2-170.6-176.7176.30112.7D758 T761 D766D758-K764 IonicContact OD2-NZ 3.41Å; D758-K764 PolarHBondContact OD2-NZ 3.21Å; T761-K764 PolarHBondContact O-N 2.92Å; K764-D766 PolarHBondContact O-N 3.41Å
765V58.1Low55.3Low55 Ų55114.7 Ų114.733%0.33362%0.622SS.*SBendtrans-79.1116.2170.3-177.60000106.2V760 K767V760-V765 HydrophobicContact CG1-CG2 3.72Å; V765-K767 PolarHBondContact O-N 3.1Å; V765-K767 VanDerWaalsContact O-N 3.13Å
766D56.4Low55.1Low108 Ų108118.4 Ų118.458%0.57864%0.636SS**  trans-51.9123.7174.2-75.9-36.7000109K764 S768 I769 S770K764-D766 PolarHBondContact O-N 3.41Å; D766-S768 PolarHBondContact O-N 2.89Å; D766-I769 HydrophobicContact CB-CD1 4Å; D766-I769 HydrophobicContact CB-CG1 4.03Å; D766-I769 PolarHBondContact O-N 2.99Å; D766-S770 PolarHBondContact O-N 3.18Å
767K60.6Low55.2Low185 Ų185113.4 Ų113.480%0.80464%0.639SS**Hα-helixtrans-57.1-21.4-178-76.3171.6176.6179.30112.6V765 I769 V771V765-K767 PolarHBondContact O-N 3.1Å; V765-K767 VanDerWaalsContact O-N 3.13Å; K767-I769 VanDerWaalsContact C-N 3.32Å; K767-V771 PolarHBondContact O-N 2.83Å
768S56.4Low55.2Low90 Ų90114.6 Ų114.663%0.62964%0.639SS**Hα-helixtrans-70.1-23.8174.253.30000114D766D766-S768 PolarHBondContact O-N 2.89Å
769I55.7Low55.1Low98 Ų98113.7 Ų113.750%0.50364%0.64SS.*Hα-helixtrans-90.8-31.3175.5-37.8167.9000110.1D766 K767 V771D766-I769 HydrophobicContact CB-CD1 4Å; D766-I769 HydrophobicContact CB-CG1 4.03Å; D766-I769 PolarHBondContact O-N 2.99Å; K767-I769 VanDerWaalsContact C-N 3.32Å; I769-V771 PolarHBondContact O-N 2.62Å
770S53.1Low55.4Low88 Ų88118 Ų11862%0.61565%0.65SS**Hα-helixtrans-63.9-26.3176.7-175.40000112.7D766D766-S770 PolarHBondContact O-N 3.18Å
771V50.5Low55.7Low84 Ų84116.2 Ų116.251%0.50965%0.652SS.*THydrogen-bonded Turntrans-131.882.5173.3-171.80000105.3K767 I769 S773K767-V771 PolarHBondContact O-N 2.83Å; I769-V771 PolarHBondContact O-N 2.62Å; V771-S773 PolarHBondContact O-N 2.88Å
772R49.3Very low55.9Low194 Ų194116.4 Ų116.473%0.73266%0.66SS**  trans-48.9117.4152.6-74.1-172.4167.2104.9-0.6104.2L774R772-L774 PolarHBondContact O-N 3.43Å
773S53.1Low56Low115 Ų115120.6 Ų120.680%0.80466%0.662SS**  trans-5983.7175.8-48.20000106.2V771 E775V771-S773 PolarHBondContact O-N 2.88Å; S773-E775 PolarHBondContact O-N 2.94Å
774L54.6Low56.3Low111 Ų111123.1 Ų123.158%0.58167%0.667SS**  trans-64.2113.3173.1-77.8172.8000103.6R772 E776R772-L774 PolarHBondContact O-N 3.43Å; L774-E776 PolarHBondContact O-N 3.14Å
775E54.6Low56.6Low178 Ų178121.1 Ų121.183%0.83267%0.667SS**  trans-28.1118.6165-160.5152.6-178.400109.4S773 G777S773-E775 PolarHBondContact O-N 2.94Å; E775-G777 PolarHBondContact O-N 3.08Å
776E57.2Low57.2Low203 Ų203123.2 Ų123.295%0.94968%0.681SS**THydrogen-bonded Turntrans-48.396.4-173.2-172.6160.6-168.100110.3L774L774-E776 PolarHBondContact O-N 3.14Å
777G56.7Low57.7Low72 Ų72128.8 Ų128.874%0.74270%0.696SS**THydrogen-bonded Turntrans155-22.1176.800000117.4E775 P779E775-G777 PolarHBondContact O-N 3.08Å; G777-P779 WeakPolarHBondContact O-CD 3.32Å
778I54.3Low58.2Low109 Ų109124.5 Ų124.556%0.55968%0.681SS**  trans-102.5111.2-180-52.5176.2000109.4E780 A782I778-E780 PolarHBondContact O-N 3.42Å; I778-A782 HydrophobicContact CG2-CB 3.7Å
779P57Low59Low100 Ų100125.5 Ų125.565%0.64968%0.679SS**  trans-60.3136.6178.423.8-31.4000110.4G777 G781 A782G777-P779 WeakPolarHBondContact O-CD 3.32Å; P779-G781 PolarHBondContact O-N 3.07Å; P779-A782 PolarHBondContact O-N 3.07Å
780E59.1Low59.8Low177 Ų177128.3 Ų128.383%0.82770%0.695SS**THydrogen-bonded Turntrans-49.2101.5171.3-63.5179.8170.500109.5I778I778-E780 PolarHBondContact O-N 3.42Å
781G58.4Low60.9Low60 Ų60125.6 Ų125.662%0.61967%0.674SS**THydrogen-bonded Turntrans136.9-12.3-177.800000115.4P779 Y783P779-G781 PolarHBondContact O-N 3.07Å; G781-Y783 PolarHBondContact O-N 3.18Å
782A54.7Low62Low65 Ų65123.3 Ų123.354%0.53766%0.663SS.*  trans-77.564.9167.200000110I778 P779 D784I778-A782 HydrophobicContact CG2-CB 3.7Å; P779-A782 PolarHBondContact O-N 3.07Å; A782-D784 PolarHBondContact O-N 3.46Å
783Y60.4Low63.2Low201 Ų201122.3 Ų122.379%0.78867%0.665SS**  trans-64.2121.3152.4-67.2-80.1000105.1G781 V785G781-Y783 PolarHBondContact O-N 3.18Å; Y783-V785 PolarHBondContact O-N 3.03Å
784D65.3Low64.3Low155 Ų155120.4 Ų120.483%0.82965%0.645SS**  trans-67.875168.1-155.414.1000106.2A782 P786A782-D784 PolarHBondContact O-N 3.46Å; D784-P786 WeakPolarHBondContact O-CD 3.15Å
785V63.7Low65.4Low96 Ų96119.1 Ų119.158%0.58264%0.643SS**  trans-67.6113173.2178.90000103.3Y783 Y787Y783-V785 PolarHBondContact O-N 3.03Å; V785-Y787 PolarHBondContact O-N 3Å; V785-Y787 VanDerWaalsContact O-N 3.12Å
786P69.4Low66.5Low98 Ų98119.3 Ų119.364%0.63664%0.636SS**  trans-51.3129.5173.6-20.231.8000106.4D784 I788D784-P786 WeakPolarHBondContact O-CD 3.15Å; P786-I788 PolarHBondContact O-N 3.43Å
787Y67.5Low67.4Low226 Ų226117.9 Ų117.989%0.88662%0.622SS**  trans-55.296.3173.6-66.5-86.5000107.2V785V785-Y787 PolarHBondContact O-N 3Å; V785-Y787 VanDerWaalsContact O-N 3.12Å
788I70.4Confident68.3Low95 Ų95120 Ų12049%0.48762%0.616SS.*  trans-77.8121.9170.2-67.7167000103.4P786 D790 A792 F793P786-I788 PolarHBondContact O-N 3.43Å; I788-D790 PolarHBondContact O-N 2.97Å; I788-A792 HydrophobicContact CG2-CB 3.31Å; I788-F793 HydrophobicContact CG2-CE2 4.32Å
789D73.4Confident69.5Low111 Ų111119.6 Ų119.659%0.59461%0.607SS**  trans-51.9135.3174.4-75.1-35.3000109.5D791 A792D789-D791 VanDerWaalsContact CB-OD1 3.25Å; D789-D791 WeakPolarHBondContact CB-OD1 3.49Å; D789-D791 PolarHBondContact O-N 3.03Å; D789-A792 WeakPolarHBondContact O-CB 3.38Å; D789-A792 PolarHBondContact O-N 2.74Å
790D73Confident70.2Confident157 Ų157121 Ų12184%0.8461%0.606SS**G310 helixtrans-54.9-24.7-178.3-72.4-27.1000112I788I788-D790 PolarHBondContact O-N 2.97Å
791D75.8Confident70.5Confident31 Ų31120 Ų12017%0.16661%0.605CS.*G310 helixtrans-83.7-5.2177.676.8-9.4000114.4D789 F793 L794 R799 E800D789-D791 VanDerWaalsContact CB-OD1 3.25Å; D789-D791 WeakPolarHBondContact CB-OD1 3.49Å; D789-D791 PolarHBondContact O-N 3.03Å; D791-F793 PolarHBondContact O-N 3.43Å; D791-F793 VanDerWaalsContact O-N 3.09Å; D791-L794 HydrophobicContact CB-CB 4.48Å; D791-L794 HydrophobicContact CB-CD1 3.86Å; D791-L794 HydrophobicContact CB-CG 4.24Å; D791-L794 WeakPolarHBondContact O-CA 3.38Å; D791-L794 VanDerWaalsContact O-CB 3.26Å; D791-L794 WeakPolarHBondContact O-CB 3.49Å; D791-L794 PolarHBondContact O-N 3.13Å; D791-R799 HydrophobicContact CB-CG 4.4Å; D791-R799 WeakPolarHBondContact O-CD 3.3Å; D791-R799 VanDerWaalsContact O-CG 3.26Å; D791-R799 WeakPolarHBondContact O-CG 3.36Å; D791-R799 PolarHBondContact O-NE 2.99Å; D791-R799 WeakPolarHBondContact OD2-CA 3.41Å; D791-E800 PolarHBondContact OD2-N 3.37Å
792A73.6Confident70.7Confident35 Ų35124 Ų12429%0.28961%0.606SS.*G310 helixtrans-59.8-25.8175.200000112.2I788 D789 R799I788-A792 HydrophobicContact CG2-CB 3.31Å; D789-A792 WeakPolarHBondContact O-CB 3.38Å; D789-A792 PolarHBondContact O-N 2.74Å; A792-R799 VanDerWaalsContact O-CZ 3.27Å; A792-R799 PolarHBondContact O-NH2 3.02Å
793F74.5Confident70.7Confident173 Ų173124.3 Ų124.376%0.75962%0.615SS**G310 helixtrans-83.3-14.2173.8-58.6-78.8000113.3I788 D791I788-F793 HydrophobicContact CG2-CE2 4.32Å; D791-F793 PolarHBondContact O-N 3.43Å; D791-F793 VanDerWaalsContact O-N 3.09Å
794L77.7Confident70.4Confident76 Ų76122.4 Ų122.440%0.39861%0.613SS.*SBendtrans-73.4145.8172.8-61.7-178.2000109.9D791 L798 R799D791-L794 HydrophobicContact CB-CB 4.48Å; D791-L794 HydrophobicContact CB-CD1 3.86Å; D791-L794 HydrophobicContact CB-CG 4.24Å; D791-L794 WeakPolarHBondContact O-CA 3.38Å; D791-L794 VanDerWaalsContact O-CB 3.26Å; D791-L794 WeakPolarHBondContact O-CB 3.49Å; D791-L794 PolarHBondContact O-N 3.13Å; L794-L798 HydrophobicContact CB-CB 4.12Å; L794-L798 HydrophobicContact CD1-CB 4.37Å; L794-R799 HydrophobicContact CB-CG 4.19Å; L794-R799 PolarHBondContact O-NE 3.11Å; L794-R799 PolarHBondContact O-NH2 3.19Å; L794-R799 VanDerWaalsContact O-NH2 3.17Å
795P77.5Confident69.8Low83 Ų83122.9 Ų122.954%0.53962%0.616SS.*  trans-51.5143.4165.6-24.533000110.3R797 L798 R799P795-R797 PolarHBondContact O-N 2.96Å; P795-L798 HydrophobicContact CG-CD1 4.42Å; P795-L798 WeakPolarHBondContact O-CA 3.41Å; P795-L798 PolarHBondContact O-N 3.3Å; P795-R799 PolarHBondContact O-N 3.32Å
796R76.6Confident69Low182 Ų182124.5 Ų124.569%0.68762%0.621SS**G310 helixtrans-49.9-32-175.2-159.3175.7-1731681.2114L798 R799R796-L798 VanDerWaalsContact C-N 3.29Å; R796-L798 PolarHBondContact O-N 3.12Å; R796-R799 PolarHBondContact O-N 2.94Å
797R76.3Confident67.7Low174 Ų174123.7 Ų123.766%0.65763%0.631SS**G310 helixtrans-70.5-19.9177.5-64.3-179174.4-173.3-3.1114.6P795 E817P795-R797 PolarHBondContact O-N 2.96Å; R797-E817 IonicContact CZ-OE2 3.17Å; R797-E817 VanDerWaalsContact NH2-CB 3.32Å; R797-E817 IonicContact NH2-OE2 3.36Å; R797-E817 PolarHBondContact NH2-OE2 3.26Å
798L75.1Confident66.6Low116 Ų116117.3 Ų117.361%0.60762%0.619SS**G310 helixtrans-106.2-5.1179.1-63.5-177.4000112.6L794 P795 R796L794-L798 HydrophobicContact CB-CB 4.12Å; L794-L798 HydrophobicContact CD1-CB 4.37Å; P795-L798 HydrophobicContact CG-CD1 4.42Å; P795-L798 WeakPolarHBondContact O-CA 3.41Å; P795-L798 PolarHBondContact O-N 3.3Å; R796-L798 VanDerWaalsContact C-N 3.29Å; R796-L798 PolarHBondContact O-N 3.12Å
799R79.3Confident65.5Low100 Ų100120.1 Ų120.138%0.37764%0.635SS.*SBendtrans-70.2140.3171.2-60.3-168.1-168165.51.7108.7D791 A792 L794 P795 R796 N801D791-R799 HydrophobicContact CB-CG 4.4Å; D791-R799 WeakPolarHBondContact O-CD 3.3Å; D791-R799 VanDerWaalsContact O-CG 3.26Å; D791-R799 WeakPolarHBondContact O-CG 3.36Å; D791-R799 PolarHBondContact O-NE 2.99Å; D791-R799 WeakPolarHBondContact OD2-CA 3.41Å; A792-R799 VanDerWaalsContact O-CZ 3.27Å; A792-R799 PolarHBondContact O-NH2 3.02Å; L794-R799 HydrophobicContact CB-CG 4.19Å; L794-R799 PolarHBondContact O-NE 3.11Å; L794-R799 PolarHBondContact O-NH2 3.19Å; L794-R799 VanDerWaalsContact O-NH2 3.17Å; P795-R799 PolarHBondContact O-N 3.32Å; R796-R799 PolarHBondContact O-N 2.94Å; R799-N801 PolarHBondContact O-N 2.65Å
800E72.2Confident64.1Low131 Ų131123.1 Ų123.161%0.61265%0.646SS**  trans-71.7117.7173.3-67.5-173.518000106.8D791 K802D791-E800 PolarHBondContact OD2-N 3.37Å; E800-K802 HydrophobicContact CB-CD 4.45Å; E800-K802 PolarHBondContact O-N 3.3Å; E800-K802 WeakPolarHBondContact OE2-CE 3.35Å; E800-K802 IonicContact OE2-NZ 3.9Å; E800-K802 PolarHBondContact OE2-NZ 3.12Å
801N66.1Low62.7Low154 Ų154117.3 Ų117.382%0.82462%0.623SS**  trans-66.182.9169.4-66.2-23.4000107.6R799 G803R799-N801 PolarHBondContact O-N 2.65Å; N801-G803 PolarHBondContact O-N 3.39Å; N801-G803 VanDerWaalsContact O-N 3.14Å
802K63Low61Low146 Ų146120.2 Ų120.264%0.63565%0.645SS**  trans-60.8116.2164.6-60-57.5-170.1-1690105.2E800 E804E800-K802 HydrophobicContact CB-CD 4.45Å; E800-K802 PolarHBondContact O-N 3.3Å; E800-K802 WeakPolarHBondContact OE2-CE 3.35Å; E800-K802 IonicContact OE2-NZ 3.9Å; E800-K802 PolarHBondContact OE2-NZ 3.12Å; K802-E804 VanDerWaalsContact C-N 3.28Å; K802-E804 PolarHBondContact O-N 3.21Å
803G53.3Low59.4Low70 Ų70124 Ų12472%0.72267%0.669SS**  trans-70.777.1-161.400000113.3N801 D805N801-G803 PolarHBondContact O-N 3.39Å; N801-G803 VanDerWaalsContact O-N 3.14Å; G803-D805 PolarHBondContact O-N 3.48Å
804E55Low57.9Low162 Ų162121.2 Ų121.276%0.75766%0.662SS**  trans-84.4100.3156.4-77.4173.117800107K802 N806K802-E804 VanDerWaalsContact C-N 3.28Å; K802-E804 PolarHBondContact O-N 3.21Å; E804-N806 PolarHBondContact O-N 3.18Å
805D51.7Low56.4Low164 Ų164123.1 Ų123.188%0.87768%0.682SS**  trans-60.631.2172.2-77.4-36.3000113.3G803 G807G803-D805 PolarHBondContact O-N 3.48Å; D805-G807 PolarHBondContact O-N 3.16Å; D805-G807 VanDerWaalsContact O-N 3.17Å
806N48.6Very low54.9Low130 Ų130124.2 Ų124.270%0.69568%0.683SS**  trans-85.390.4171.5-66.9-34.5000107.3E804 S808E804-N806 PolarHBondContact O-N 3.18Å; N806-S808 PolarHBondContact O-N 3.06Å
807G42.3Very low53.6Low82 Ų82120.1 Ų120.185%0.84567%0.671SS**  trans-61.259.1173.700000114.1D805 D809D805-G807 PolarHBondContact O-N 3.16Å; D805-G807 VanDerWaalsContact O-N 3.17Å; G807-D809 PolarHBondContact O-N 3.29Å
808S43.3Very low52.2Low91 Ų91119.1 Ų119.164%0.63667%0.674SS**  trans-92.986.7164.1-170.30000108.1N806 E810N806-S808 PolarHBondContact O-N 3.06Å; S808-E810 PolarHBondContact O-N 2.96Å
809D47.2Very low51.1Low154 Ų154118.7 Ų118.782%0.82467%0.673SS**  trans-67.544.5170.8-161.314.1000111.5G807G807-D809 PolarHBondContact O-N 3.29Å
810E44.8Very low49.6Very low175 Ų175122.9 Ų122.982%0.81869%0.69SS**  trans-110.832.1173.5-63.4-156.7-171.700111.1S808 S812S808-E810 PolarHBondContact O-N 2.96Å; E810-S812 VanDerWaalsContact C-N 3.27Å; E810-S812 PolarHBondContact O-N 3.19Å
811G42.4Very low48.4Very low34 Ų34127.4 Ų127.435%0.35170%0.701SS.*SBendtrans-89.771.1158.800000108.7S813G811-S813 PolarHBondContact O-N 2.87Å
812S39.8Very low47.5Very low92 Ų92122.4 Ų122.464%0.64368%0.678SS**  trans-31.3108.6177-161.20000110.3E810 L814E810-S812 VanDerWaalsContact C-N 3.27Å; E810-S812 PolarHBondContact O-N 3.19Å; S812-L814 PolarHBondContact O-N 2.99Å
813S41.5Very low46.9Very low114 Ų114126.2 Ų126.280%0.79769%0.689SS**  trans-71.459.8175.116.30000108.1G811 S815G811-S813 PolarHBondContact O-N 2.87Å; S813-S815 VanDerWaalsContact C-N 3.28Å; S813-S815 PolarHBondContact O-N 3.35Å
814L42.8Very low46.8Very low115 Ų115126 Ų12660%0.60267%0.671SS**  trans-69.497.9165.1-73.1177.3000105.7S812 L816S812-L814 PolarHBondContact O-N 2.99Å; L814-L816 PolarHBondContact O-N 2.96Å
815S45.8Very low46.9Very low117 Ų117121.7 Ų121.782%0.81866%0.657SS**  trans-52.367.4168.254.20000112.4S813S813-S815 VanDerWaalsContact C-N 3.28Å; S813-S815 PolarHBondContact O-N 3.35Å
816L45.7Very low47.2Very low106 Ų106118.8 Ų118.856%0.55564%0.642SS**  trans-119.9-2.8-175.9-140157.9000112.4L814 E818L814-L816 PolarHBondContact O-N 2.96Å; L816-E818 PolarHBondContact O-N 3.04Å
817E48.9Very low47.5Very low95 Ų95118.5 Ų118.544%0.44463%0.631SS.*THydrogen-bonded Turntrans-82.3-10.6-172.7-75.776.3-147.900117R797R797-E817 IonicContact CZ-OE2 3.17Å; R797-E817 VanDerWaalsContact NH2-CB 3.32Å; R797-E817 IonicContact NH2-OE2 3.36Å; R797-E817 PolarHBondContact NH2-OE2 3.26Å
818E48.4Very low47.9Very low154 Ų154121.2 Ų121.272%0.7262%0.619SS**THydrogen-bonded Turntrans-88.5-27.2177.5-79.2115.6-140.300113.8L816L816-E818 PolarHBondContact O-N 3.04Å
819D50.7Low48.5Very low107 Ų107122.8 Ų122.857%0.57262%0.619SS**THydrogen-bonded Turntrans-83.6-23.9-174.3-91.1-15.4000113.7R827D819-R827 PolarHBondContact O-NH1 3.28Å; D819-R827 PolarHBondContact O-NH2 3.03Å
820Y48.7Very low48.9Very low187 Ų187126.3 Ų126.373%0.73362%0.621SS**THydrogen-bonded Turntrans-76.2-27.8-175.9-137.4-95.5000113.3
821W46Very low49.3Very low227 Ų227122 Ų12286%0.8660%0.603SS**THydrogen-bonded Turntrans-102.9-12.3-179.1-66.1104.7000114.7W823W821-W823 PolarHBondContact O-N 2.82Å
822S47.9Very low50Low48 Ų48126.3 Ų126.334%0.33662%0.615SS.*  trans-69.2101.3168.5108.60000107.1N824 R827S822-N824 PolarHBondContact O-N 3.17Å; S822-R827 PolarHBondContact O-NH2 3.28Å
823W50.2Low51.1Low226 Ų226125.7 Ų125.786%0.85662%0.615SS**  trans-67.878.9170.1-166.869.8000106.5W821 P825W821-W823 PolarHBondContact O-N 2.82Å; W823-P825 WeakPolarHBondContact O-CD 3.34Å
824N51.1Low52.2Low65 Ų65126.9 Ų126.935%0.34861%0.612SS.*  trans-87.9100.8-178.1-162.7-11.2000107.1S822 D826 R827S822-N824 PolarHBondContact O-N 3.17Å; N824-D826 PolarHBondContact O-N 3.15Å; N824-D826 WeakPolarHBondContact OD1-CB 3.48Å; N824-D826 PolarHBondContact OD1-N 3.31Å; N824-R827 HydrophobicContact CB-CG 4.34Å; N824-R827 PolarHBondContact O-N 3.23Å; N824-R827 VanDerWaalsContact O-N 3.1Å
825P56.3Low52.8Low73 Ų73127.5 Ų127.547%0.47461%0.612SS.*G310 helixtrans-59.6-19179.226.2-35.1000111.8W823 R827 F828W823-P825 WeakPolarHBondContact O-CD 3.34Å; P825-R827 PolarHBondContact O-N 3.15Å; P825-F828 PolarHBondContact O-N 2.96Å
826D59.6Low53.6Low102 Ų102127 Ų12755%0.54560%0.599SS.*G310 helixtrans-71.3-16.7179.5-66.4-10.9000113.3N824 F828 I829N824-D826 PolarHBondContact O-N 3.15Å; N824-D826 WeakPolarHBondContact OD1-CB 3.48Å; N824-D826 PolarHBondContact OD1-N 3.31Å; D826-F828 PolarHBondContact O-N 3.15Å; D826-I829 HydrophobicContact CB-CD1 3.67Å; D826-I829 HydrophobicContact CB-CG1 4.4Å; D826-I829 VanDerWaalsContact O-CB 3.27Å; D826-I829 WeakPolarHBondContact O-CB 3.37Å; D826-I829 VanDerWaalsContact O-CG1 3.32Å; D826-I829 WeakPolarHBondContact O-CG1 3.2Å; D826-I829 PolarHBondContact O-N 3.38Å; D826-I829 WeakPolarHBondContact OD1-CD1 3.43Å
827R53.3Low54.2Low125 Ų125125.9 Ų125.947%0.47261%0.605SS.*G310 helixtrans-64.3-22172.3-72.5-164.9-82.4-132.812.6112.7D819 S822 N824 P825 I829D819-R827 PolarHBondContact O-NH1 3.28Å; D819-R827 PolarHBondContact O-NH2 3.03Å; S822-R827 PolarHBondContact O-NH2 3.28Å; N824-R827 HydrophobicContact CB-CG 4.34Å; N824-R827 PolarHBondContact O-N 3.23Å; N824-R827 VanDerWaalsContact O-N 3.1Å; P825-R827 PolarHBondContact O-N 3.15Å; R827-I829 VanDerWaalsContact C-N 3.27Å; R827-I829 PolarHBondContact O-N 3.26Å
828F52.1Low54.7Low138 Ų138126 Ų12661%0.60561%0.609SS**G310 helixtrans-79.7-4.1173.6-66.5-78.2000113.7P825 D826 R830 L831P825-F828 PolarHBondContact O-N 2.96Å; D826-F828 PolarHBondContact O-N 3.15Å; F828-R830 PolarHBondContact O-N 3.37Å; F828-R830 VanDerWaalsContact O-N 3.12Å; F828-L831 HydrophobicContact CD1-CD1 3.85Å; F828-L831 HydrophobicContact CE1-CD1 4.26Å
829I55.6Low55.4Low124 Ų124124 Ų12464%0.63661%0.607SS**G310 helixtrans-69.3-11.1-177.4-63.2172.8000112.3D826 R827D826-I829 HydrophobicContact CB-CD1 3.67Å; D826-I829 HydrophobicContact CB-CG1 4.4Å; D826-I829 VanDerWaalsContact O-CB 3.27Å; D826-I829 WeakPolarHBondContact O-CB 3.37Å; D826-I829 VanDerWaalsContact O-CG1 3.32Å; D826-I829 WeakPolarHBondContact O-CG1 3.2Å; D826-I829 PolarHBondContact O-N 3.38Å; D826-I829 WeakPolarHBondContact OD1-CD1 3.43Å; R827-I829 VanDerWaalsContact C-N 3.27Å; R827-I829 PolarHBondContact O-N 3.26Å
830R54.4Low55.8Low228 Ų228125.6 Ų125.686%0.8662%0.615SS**G310 helixtrans-129.118.1-179.7-73-171.9169.6-165.2-1.2116.2F828 E832F828-R830 PolarHBondContact O-N 3.37Å; F828-R830 VanDerWaalsContact O-N 3.12Å; R830-E832 VanDerWaalsContact C-N 3.25Å; R830-E832 PolarHBondContact O-N 3.27Å
831L53.8Low56.2Low84 Ų84123.9 Ų123.944%0.4461%0.614SS.*  trans-66.8101.5157.9-75.4175.9000106.4F828 A833 H835F828-L831 HydrophobicContact CD1-CD1 3.85Å; F828-L831 HydrophobicContact CE1-CD1 4.26Å; L831-A833 PolarHBondContact O-N 3.38Å; L831-H835 HydrophobicContact CB-CB 4.34Å; L831-H835 HydrophobicContact CD2-CB 3.95Å
832E57.9Low56.4Low126 Ų126118.1 Ų118.159%0.58961%0.607SS**  trans-44.7139.5168.6-65.4-172.2172.300108R830 N834 H835R830-E832 VanDerWaalsContact C-N 3.25Å; R830-E832 PolarHBondContact O-N 3.27Å; E832-N834 PolarHBondContact O-N 3.49Å; E832-N834 PolarHBondContact OE2-ND2 3.19Å; E832-H835 PolarHBondContact O-N 3.07Å
833A61.7Low56.5Low79 Ų79119.7 Ų119.765%0.65362%0.623SS**G310 helixtrans-52.7-17-176.300000113.5L831 H835 I836L831-A833 PolarHBondContact O-N 3.38Å; A833-H835 VanDerWaalsContact C-N 3.3Å; A833-H835 PolarHBondContact O-N 3.14Å; A833-I836 PolarHBondContact O-N 3.17Å
834N64.6Low56.6Low138 Ų138114.7 Ų114.774%0.73862%0.62SS**G310 helixtrans-66.1-23.5173.3-54.7-28.1000114.4E832E832-N834 PolarHBondContact O-N 3.49Å; E832-N834 PolarHBondContact OE2-ND2 3.19Å
835H56.9Low56.4Low129 Ų129117.4 Ų117.460%0.59764%0.639SS**G310 helixtrans-89.7-13.8175.8-61.9-67.5000112.9L831 E832 A833 A837L831-H835 HydrophobicContact CB-CB 4.34Å; L831-H835 HydrophobicContact CD2-CB 3.95Å; E832-H835 PolarHBondContact O-N 3.07Å; A833-H835 VanDerWaalsContact C-N 3.3Å; A833-H835 PolarHBondContact O-N 3.14Å; H835-A837 PolarHBondContact O-N 3.26Å
836I61.2Low56Low107 Ų107119 Ų11955%0.54965%0.649SS.*SBendtrans-81.8111.9174.9-55.9175.8000105.8A833 D838A833-I836 PolarHBondContact O-N 3.17Å; I836-D838 PolarHBondContact O-N 3.05Å; I836-D838 VanDerWaalsContact O-N 3.09Å
837A58.8Low55.3Low82 Ų82122.3 Ų122.368%0.67866%0.661SS**  trans-51.3123172.300000108.5H835 T839H835-A837 PolarHBondContact O-N 3.26Å; A837-T839 VanDerWaalsContact C-N 3.33Å; A837-T839 PolarHBondContact O-N 2.99Å
838D60.2Low54.8Low97 Ų97123.6 Ų123.652%0.51968%0.678SS.*  trans-66.494.5-174.8-149.1-11.6000107.9I836 N840 E841I836-D838 PolarHBondContact O-N 3.05Å; I836-D838 VanDerWaalsContact O-N 3.09Å; D838-N840 PolarHBondContact O-N 3.3Å; D838-E841 HydrophobicContact CB-CG 3.98Å; D838-E841 WeakPolarHBondContact O-CB 3.4Å; D838-E841 PolarHBondContact O-N 3.35Å
839T62.2Low54Low111 Ų111124.7 Ų124.768%0.68169%0.685SS**G310 helixtrans-62.3-12.9-173.753.60000112.8A837 E841A837-T839 VanDerWaalsContact C-N 3.33Å; A837-T839 PolarHBondContact O-N 2.99Å; T839-E841 VanDerWaalsContact C-N 3.32Å
840N59.2Low53.3Low141 Ų141124.3 Ų124.375%0.75469%0.69SS**G310 helixtrans-81.5-10.4174.4-56-50.5000113.1D838 C842D838-N840 PolarHBondContact O-N 3.3Å; N840-C842 VanDerWaalsContact C-N 3.28Å
841E56.3Low52.6Low151 Ų151123 Ų12371%0.70669%0.691SS**G310 helixtrans-86.78.2174.2-67-169.2-162.100113.6D838 T839 A843D838-E841 HydrophobicContact CB-CG 3.98Å; D838-E841 WeakPolarHBondContact O-CB 3.4Å; D838-E841 PolarHBondContact O-N 3.35Å; T839-E841 VanDerWaalsContact C-N 3.32Å; E841-A843 PolarHBondContact O-N 3.04Å
842C51.4Low51.8Low107 Ų107124 Ų12472%0.72370%0.704SS**SBendtrans-59.588.2159.4-81.50000108.2N840 P844N840-C842 VanDerWaalsContact C-N 3.28Å; C842-P844 WeakPolarHBondContact O-CD 3.46Å; C842-P844 VanDerWaalsContact O-N 3.09Å
843A49.5Very low50.8Low80 Ų80129 Ų12966%0.66172%0.718SS**PPolyproline II helixtrans-50.8120.9-179.600000106.8E841 T845E841-A843 PolarHBondContact O-N 3.04Å; A843-T845 PolarHBondContact O-N 3.26Å
844P52.1Low49.3Very low121 Ų121130.8 Ų130.879%0.78672%0.721SS**PPolyproline II helixtrans-55.8117.2178.717.4-27.7000107.7C842C842-P844 WeakPolarHBondContact O-CD 3.46Å; C842-P844 VanDerWaalsContact O-N 3.09Å
845T47.1Very low47.9Very low123 Ų123131.6 Ų131.676%0.75572%0.724SS**PPolyproline II helixtrans-47.9124.8176.7-33.60000107A843 E847A843-T845 PolarHBondContact O-N 3.26Å; T845-E847 PolarHBondContact O-N 3.35Å
846P47.6Very low46.7Very low106 Ų106130.3 Ų130.369%0.68873%0.725SS**  trans-56.9108.9-174.218.8-30.5000109.1N848P846-N848 PolarHBondContact O-N 3.3Å
847E44.7Very low45.3Very low171 Ų171130 Ų13080%0.79973%0.732SS**  trans-57.1107.5167.4-87.1-171.4153.900106.4T845 Q849T845-E847 PolarHBondContact O-N 3.35Å; E847-Q849 PolarHBondContact O-N 3.31Å
848N42.5Very low44.2Very low153 Ų153133.1 Ų133.182%0.81874%0.736SS**  trans-61.785172.2-77.1-51.4000107.9P846 P850P846-N848 PolarHBondContact O-N 3.3Å; N848-P850 WeakPolarHBondContact O-CD 3.39Å
849Q36.7Very low42.8Very low161 Ų161136.1 Ų136.175%0.75275%0.751SS**  trans-54.7108.9167-74.6-98.6-33.900106.8E847 K851E847-Q849 PolarHBondContact O-N 3.31Å; Q849-K851 PolarHBondContact O-N 3.41Å
850P40.6Very low41.3Very low115 Ų115134.9 Ų134.975%0.74775%0.747SS**  trans-68.3104.4178.827-28.9000106.6N848 S852N848-P850 WeakPolarHBondContact O-CD 3.39Å; P850-S852 PolarHBondContact O-N 2.99Å
851K39Very low40.1Very low201 Ų201137.1 Ų137.187%0.87475%0.75SS**  trans-6292.6168-73.7175.9-179.3173.30107.1Q849 R853Q849-K851 PolarHBondContact O-N 3.41Å; K851-R853 VanDerWaalsContact C-N 3.28Å; K851-R853 PolarHBondContact O-N 2.82Å
852S36.4Very low38.8Very low104 Ų104140.2 Ų140.273%0.72776%0.761SS**  trans-60.49416846.30000107.6P850 T854P850-S852 PolarHBondContact O-N 2.99Å; S852-T854 VanDerWaalsContact C-N 3.28Å; S852-T854 PolarHBondContact O-N 2.9Å
853R37.3Very low38Very low231 Ų231144.2 Ų144.287%0.87277%0.767SS**  trans-66.595.4163.5-93179.1159.4176.7-4.9106.8K851 I855K851-R853 VanDerWaalsContact C-N 3.28Å; K851-R853 PolarHBondContact O-N 2.82Å; R853-I855 VanDerWaalsContact C-N 3.34Å; R853-I855 PolarHBondContact O-N 2.95Å
854T30.8Very low37.1Very low118 Ų118149.3 Ų149.372%0.72477%0.774SS**  trans-6098.6164.1-52.80000107.8S852 T856S852-T854 VanDerWaalsContact C-N 3.28Å; S852-T854 PolarHBondContact O-N 2.9Å; T854-T856 VanDerWaalsContact C-N 3.31Å; T854-T856 HydrophobicContact CG2-CG2 4.45Å; T854-T856 PolarHBondContact O-N 3.45Å
855I35.1Very low36.1Very low155 Ų155149.6 Ų149.680%0.79577%0.769SS**  trans-7592.6168.3-60.8174.7000105.5R853 S857R853-I855 VanDerWaalsContact C-N 3.34Å; R853-I855 PolarHBondContact O-N 2.95Å; I855-S857 PolarHBondContact O-N 3.18Å; I855-S857 VanDerWaalsContact O-N 3.11Å
856T32.7Very low35.4Very low102 Ų102152.8 Ų152.863%0.62678%0.775SS**  trans-59.2112.8167.738.40000108.7T854 I858T854-T856 VanDerWaalsContact C-N 3.31Å; T854-T856 HydrophobicContact CG2-CG2 4.45Å; T854-T856 PolarHBondContact O-N 3.45Å; T856-I858 PolarHBondContact O-N 3.06Å
857S31.7Very low34.6Very low99 Ų99152.4 Ų152.469%0.69277%0.772SS**  trans-63.196.1169.548.20000109.6I855 L859I855-S857 PolarHBondContact O-N 3.18Å; I855-S857 VanDerWaalsContact O-N 3.11Å; S857-L859 PolarHBondContact O-N 2.83Å
858I34.2Very low33.9Very low148 Ų148153.4 Ų153.476%0.75977%0.774SS**  trans-78.973.5168.7-54.5175.9000107.5T856 S860T856-I858 PolarHBondContact O-N 3.06Å; I858-S860 VanDerWaalsContact C-N 3.33Å; I858-S860 PolarHBondContact O-N 2.86Å
859L30.6Very low33.6Very low161 Ų161154.7 Ų154.784%0.84378%0.775SS**  trans-7885.2159.2-103.9105.7000107.7S857S857-L859 PolarHBondContact O-N 2.83Å
860S30.9Very low33.3Very low84 Ų84154.3 Ų154.359%0.58778%0.777SS**  trans-172.2116.9148.853.40000110.5I858I858-S860 VanDerWaalsContact C-N 3.33Å; I858-S860 PolarHBondContact O-N 2.86Å
861K35.1Very low32.9Very low189 Ų189155.3 Ų155.382%0.82278%0.775SS**  172101123.2-90.4163.7-173-179.40109.1K863K861-K863 PolarHBondContact O-N 3.26Å
862K28.6Very low32.5Very low215 Ų215152.5 Ų152.594%0.93577%0.768SS**  trans-52.9115.9160.8-69.7175.7173.2177.60109.4
863K34.2Very low32.5Very low192 Ų192152.9 Ų152.984%0.83577%0.766SS**  trans-140.292.5156.2-72.6-168.3175.5-175.10105.9K861K861-K863 PolarHBondContact O-N 3.26Å
864K31.5Very low32.3Very low187 Ų187149.8 Ų149.881%0.81376%0.761SS**  45.410396.9-98-167.3170.2-178.40113.8
865D30.3Very low32.4Very low127 Ų127150 Ų15068%0.67977%0.765SS**  trans52.898.5133.5-51.3-29.1000118.9
866Q33.9Very low32.3Very low189 Ų189151.9 Ų151.988%0.88377%0.767SS**  trans-153116132.6-78.4-53.9-36.800109.1
867P29.9Very low32.3Very low98 Ų98151.5 Ų151.564%0.63677%0.774SS**  trans-92.2157.3168.835.7-28.8000110.5
868K30Very low32.5Very low193 Ų193153.7 Ų153.784%0.83978%0.778SS**  trans88.1103.4168.6-51170-178.1179.50115.3
869Q36.4Very low32.4Very low180 Ų180151.5 Ų151.584%0.84178%0.776SS**  -160.8111113.5-102.4171.141.400108.6L871Q869-L871 PolarHBondContact O-N 3.11Å
870I30.3Very low32.6Very low152 Ų152151.1 Ų151.178%0.77978%0.775SS**  trans-74.795.8169.6-65.2163.6000105I872I870-I872 HydrophobicContact CG2-CD1 3.91Å; I870-I872 HydrophobicContact CG2-CG1 3.74Å
871L32.9Very low32.5Very low136 Ų136156.2 Ų156.271%0.71279%0.787SS**  trans-101.592.8166.6-140.487.6000107.4Q869 V873Q869-L871 PolarHBondContact O-N 3.11Å; L871-V873 VanDerWaalsContact C-N 3.3Å; L871-V873 HydrophobicContact CD2-CG2 3.65Å; L871-V873 HydrophobicContact CG-CG2 4.09Å; L871-V873 PolarHBondContact O-N 3.45Å
872I30.3Very low32.6Very low143 Ų143152 Ų15273%0.73378%0.781SS**  trans-70.692.8168-62.8161.7000105.8I870I870-I872 HydrophobicContact CG2-CD1 3.91Å; I870-I872 HydrophobicContact CG2-CG1 3.74Å
873V35.5Very low32.8Very low111 Ų111151 Ų15167%0.67378%0.776SS**  trans-107.9107.4164.6-179.70000106L871L871-V873 VanDerWaalsContact C-N 3.3Å; L871-V873 HydrophobicContact CD2-CG2 3.65Å; L871-V873 HydrophobicContact CG-CG2 4.09Å; L871-V873 PolarHBondContact O-N 3.45Å
874Q33.5Very low32.8Very low166 Ų166149 Ų14978%0.77678%0.775SS**PPolyproline II helixtrans-60131.4177.4-67.2-159.9-3.900110K876Q874-K876 PolarHBondContact O-N 3.43Å
875P33.9Very low33Very low123 Ų123148.4 Ų148.480%0.79977%0.772SS**PPolyproline II helixtrans-71.1118.5-179.326.9-31.1000109.7A877P875-A877 PolarHBondContact O-N 3.21Å
876K32.8Very low33Very low195 Ų195146.3 Ų146.385%0.84878%0.781SS**PPolyproline II helixtrans-61.4118.7164.7-79.1-174.1175.2-178.70108.4Q874 N878Q874-K876 PolarHBondContact O-N 3.43Å; K876-N878 VanDerWaalsContact C-N 3.34Å; K876-N878 PolarHBondContact O-N 3.01Å
877A31.2Very low33.1Very low94 Ų94144.9 Ų144.978%0.77777%0.772SS**  trans-7084.4178.100000110.5P875P875-A877 PolarHBondContact O-N 3.21Å
878N36.2Very low33.6Very low144 Ų144145.5 Ų145.577%0.7778%0.778SS**  trans-96.388.5163.6-705.3000107.5K876 N880K876-N878 VanDerWaalsContact C-N 3.34Å; K876-N878 PolarHBondContact O-N 3.01Å; N878-N880 VanDerWaalsContact C-N 3.29Å; N878-N880 PolarHBondContact O-N 3.11Å
879S31.5Very low34.1Very low103 Ų103144 Ų14472%0.7278%0.779SS**  trans-76.170.3-178.3580000112K881S879-K881 PolarHBondContact O-N 3.25Å
880N34.9Very low34.4Very low152 Ų152142.7 Ų142.781%0.81378%0.776SS**  trans-95.981.5162.6-71.9-10.3000108.1N878 S882N878-N880 VanDerWaalsContact C-N 3.29Å; N878-N880 PolarHBondContact O-N 3.11Å; N880-S882 PolarHBondContact O-N 3.07Å
881K30.4Very low34.6Very low192 Ų192140.5 Ų140.584%0.83577%0.773SS**  trans-67.684.9167.8-85.5176.6175.9167.70108.3S879 K883S879-K881 PolarHBondContact O-N 3.25Å; K881-K883 PolarHBondContact O-N 2.94Å; K881-K883 VanDerWaalsContact O-N 3.1Å
882S36.5Very low34.7Very low100 Ų100137.1 Ų137.170%0.69977%0.77SS**  trans-67.4103.9159.255.60000107.7N880 N884N880-S882 PolarHBondContact O-N 3.07Å; S882-N884 PolarHBondContact O-N 3.22Å
883K33Very low35.1Very low193 Ų193135.4 Ų135.484%0.83977%0.77SS**  trans-73.681.5170.3-74.4179.8-179.4171.80108.3K881 K885K881-K883 PolarHBondContact O-N 2.94Å; K881-K883 VanDerWaalsContact O-N 3.1Å; K883-K885 PolarHBondContact O-N 3.49Å; K883-K885 VanDerWaalsContact O-N 3.12Å
884N34.5Very low35.2Very low151 Ų151136.2 Ų136.281%0.80778%0.775SS**  trans-68.599.9155.7-83.9-11.4000108.1S882S882-N884 PolarHBondContact O-N 3.22Å
885K34.6Very low35.6Very low174 Ų174133.4 Ų133.476%0.75777%0.774SS**  trans-135.170.9157.8-77.7-171.7179.7172.80109.2K883 K887K883-K885 PolarHBondContact O-N 3.49Å; K883-K885 VanDerWaalsContact O-N 3.12Å; K885-K887 PolarHBondContact O-N 3.23Å; K885-K887 VanDerWaalsContact O-N 3.16Å
886G30Very low35.7Very low83 Ų83139.2 Ų139.286%0.85678%0.78SS**  trans-63.8103.2146.600000107.6
887K37.8Very low36.1Very low160 Ų160139.4 Ų139.470%0.69678%0.78SS**  trans-120.986.4161.1-77.5-173.3176.2-171.90106.6K885 L889K885-K887 PolarHBondContact O-N 3.23Å; K885-K887 VanDerWaalsContact O-N 3.16Å; K887-L889 VanDerWaalsContact C-N 3.32Å; K887-L889 PolarHBondContact O-N 3.23Å; K887-L889 VanDerWaalsContact O-N 3.07Å
888S38.5Very low36.7Very low111 Ų111140.1 Ų140.178%0.77678%0.78SS**  trans-62.4100.7152.9560000106.4I890S888-I890 PolarHBondContact O-N 2.81Å; S888-I890 VanDerWaalsContact O-N 3.12Å
889L41.2Very low36.9Very low162 Ų162142.8 Ų142.885%0.84879%0.785SS**  trans-72.2105.5169.9-82.1163.3000107.3K887 C891K887-L889 VanDerWaalsContact C-N 3.32Å; K887-L889 PolarHBondContact O-N 3.23Å; K887-L889 VanDerWaalsContact O-N 3.07Å; L889-C891 PolarHBondContact O-N 2.99Å
890I41.8Very low37Very low152 Ų152145.7 Ų145.778%0.77979%0.792SS**  trans-50120.6170.3-68.8155.9000108.4S888 G892S888-I890 PolarHBondContact O-N 2.81Å; S888-I890 VanDerWaalsContact O-N 3.12Å; I890-G892 PolarHBondContact O-N 3.02Å
891C36.5Very low37.1Very low106 Ų106153.4 Ų153.472%0.71681%0.81SS**  trans-51.8109.6167.4176.70000108.9L889 C893L889-C891 PolarHBondContact O-N 2.99Å; C891-C893 PolarHBondContact O-N 2.89Å; C891-C893 VanDerWaalsContact O-N 3.09Å
892G33.7Very low37.5Very low64 Ų64151.5 Ų151.566%0.6681%0.809SS**  trans-79.481.7177.300000110.6I890 V894I890-G892 PolarHBondContact O-N 3.02Å; G892-V894 PolarHBondContact O-N 2.97Å
893C38.2Very low37.5Very low107 Ų107154.2 Ų154.272%0.72381%0.814SS**  trans-69.886.2161.9-61.80000108.2C891 S895C891-C893 PolarHBondContact O-N 2.89Å; C891-C893 VanDerWaalsContact O-N 3.09Å; C893-S895 PolarHBondContact O-N 3.47Å
894V38.7Very low37.8Very low129 Ų129152.1 Ų152.178%0.78281%0.813SS**  trans-65.2100.1171.2178.30000107.5G892 R896G892-V894 PolarHBondContact O-N 2.97Å; V894-R896 PolarHBondContact O-N 3.16Å
895S40.9Very low37.9Very low107 Ų107152.1 Ų152.175%0.74881%0.813SS**  trans-58.2108.5169-61.80000108.6C893 K897C893-S895 PolarHBondContact O-N 3.47Å; S895-K897 PolarHBondContact O-N 3.01Å
896R36.2Very low38.2Very low244 Ų244150.8 Ų150.892%0.92182%0.817SS**  trans-62.2104.1171.1-68.5-177.1-172.1-170.22.6107.6V894 S898V894-R896 PolarHBondContact O-N 3.16Å; R896-S898 PolarHBondContact O-N 3.21Å; R896-S898 VanDerWaalsContact O-N 3.14Å
897K42.3Very low38.7Very low199 Ų199155.3 Ų155.387%0.86581%0.814SS**  trans-62.4111.7165.6-78.4-176.3174.3-179.80107.5S895 K899S895-K897 PolarHBondContact O-N 3.01Å; K897-K899 PolarHBondContact O-N 3.42Å; K897-K899 VanDerWaalsContact O-N 3.07Å
898S42.7Very low38.8Very low110 Ų110154.9 Ų154.977%0.76982%0.823SS**  trans-56.7110.3164.752.10000108.4R896 N900R896-S898 PolarHBondContact O-N 3.21Å; R896-S898 VanDerWaalsContact O-N 3.14Å; S898-N900 PolarHBondContact O-N 3.18Å; S898-N900 VanDerWaalsContact O-N 3.16Å
899K41.6Very low38.8Very low200 Ų200158.3 Ų158.387%0.8783%0.826SS**  trans-70.7105.7167.2-82.1179.2176.1173.80107K897 R901K897-K899 PolarHBondContact O-N 3.42Å; K897-K899 VanDerWaalsContact O-N 3.07Å; K899-R901 PolarHBondContact O-N 3.06Å
900N33.6Very low38.6Very low164 Ų164158 Ų15888%0.87783%0.825SS**  trans-64.8108.5152.7-86.6-19000107.1S898S898-N900 PolarHBondContact O-N 3.18Å; S898-N900 VanDerWaalsContact O-N 3.16Å
901R36.7Very low38.3Very low314 Ų314158.5 Ų158.5100%1.18583%0.829SS**  trans-1570147.4-144.9177.6-169.6-177.61.6110.3K899K899-R901 PolarHBondContact O-N 3.06Å

Retrieved 901 of 901 residues in 218.2 ms (Link to these results)