A0A3Q0KJ62_SCHMA Loading...

Putative cement protein 3B variant 2

AlphaFold DB , UniProt , Accession A0A3Q0KJ62, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 835 aa.

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

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M54.8Low55.2Low196 Ų196134.5 Ų134.597%0.96666%0.657SS**  0-660-66.6176.3179.100113.1R3 Q4M1-R3 VanDerWaalsContact C-N 3.26Å; M1-R3 PolarHBondContact O-N 3.24Å; M1-Q4 PolarHBondContact O-N 3.44Å
2S52.3Low55.2Low95 Ų95133.6 Ų133.666%0.66465%0.65SS**Hα-helixtrans-51.2-29.9-165.6-36.90000117.5I5S2-I5 PolarHBondContact O-N 3.46Å
3R51.3Low54.7Low227 Ų227131.9 Ų131.986%0.85765%0.646SS**Hα-helixtrans-66-37176.7-66.1-172.9-177.9-1331.2113.5M1 I5 Q7M1-R3 VanDerWaalsContact C-N 3.26Å; M1-R3 PolarHBondContact O-N 3.24Å; R3-I5 VanDerWaalsContact C-N 3.31Å; R3-I5 PolarHBondContact O-N 2.88Å; R3-Q7 PolarHBondContact O-N 3.12Å
4Q58Low54.6Low136 Ų136130.6 Ų130.664%0.63664%0.642SS**Hα-helixtrans-68.9-29.6178.8-72.1164.8-46.200112.2M1 Q7 K8M1-Q4 PolarHBondContact O-N 3.44Å; Q4-Q7 PolarHBondContact O-N 2.8Å; Q4-K8 PolarHBondContact O-N 3.02Å; Q4-K8 VanDerWaalsContact O-N 3.12Å
5I58.8Low54.5Low95 Ų95136.3 Ų136.349%0.48765%0.654SS.*Hα-helixtrans-69-41.2-179.5-58176.6000110.8S2 R3 Q7 R9S2-I5 PolarHBondContact O-N 3.46Å; R3-I5 VanDerWaalsContact C-N 3.31Å; R3-I5 PolarHBondContact O-N 2.88Å; I5-Q7 VanDerWaalsContact C-N 3.33Å; I5-Q7 PolarHBondContact O-N 3.29Å; I5-R9 WeakPolarHBondContact O-CG 3.18Å; I5-R9 PolarHBondContact O-N 3.44Å
6S56.8Low54.5Low84 Ų84139.3 Ų139.359%0.58766%0.656SS**Hα-helixtrans-63.6-38.2174.7-62.20000112.5R9 S10S6-R9 PolarHBondContact O-N 3.21Å; S6-S10 PolarHBondContact O-N 3.25Å
7Q56.6Low54.4Low133 Ų133140.1 Ų140.162%0.62166%0.66SS**Hα-helixtrans-73.5-33.5-176.4-150.7167.43.400112.6R3 Q4 I5 R9 S10 N11R3-Q7 PolarHBondContact O-N 3.12Å; Q4-Q7 PolarHBondContact O-N 2.8Å; I5-Q7 VanDerWaalsContact C-N 3.33Å; I5-Q7 PolarHBondContact O-N 3.29Å; Q7-R9 VanDerWaalsContact C-N 3.32Å; Q7-S10 PolarHBondContact O-OG 3.16Å; Q7-N11 PolarHBondContact O-OD1 2.85Å
8K56.6Low54.2Low173 Ų173141.2 Ų141.275%0.75266%0.664SS**Hα-helixtrans-65-34.9167.5-77.2-167.2171.9-171.20112.3Q4 Q12Q4-K8 PolarHBondContact O-N 3.02Å; Q4-K8 VanDerWaalsContact O-N 3.12Å; K8-Q12 PolarHBondContact O-N 3.23Å
9R55.3Low53.9Low173 Ų173138.3 Ų138.365%0.65366%0.661SS**Hα-helixtrans-74.9-33-179.1-74.5-179.2174.7-174.4-1.7114.5I5 S6 Q7 N13I5-R9 WeakPolarHBondContact O-CG 3.18Å; I5-R9 PolarHBondContact O-N 3.44Å; S6-R9 PolarHBondContact O-N 3.21Å; Q7-R9 VanDerWaalsContact C-N 3.32Å; R9-N13 PolarHBondContact O-N 3.21Å
10S52.1Low53.3Low61 Ų61140.4 Ų140.443%0.42767%0.672SS.*Hα-helixtrans-62.9-45.8174.251.30000111.8S6 Q7 Q12 N13 L14S6-S10 PolarHBondContact O-N 3.25Å; Q7-S10 PolarHBondContact O-OG 3.16Å; S10-Q12 VanDerWaalsContact C-N 3.32Å; S10-Q12 PolarHBondContact O-N 3.5Å; S10-N13 PolarHBondContact O-N 2.8Å; S10-L14 PolarHBondContact O-N 2.9Å; S10-L14 VanDerWaalsContact O-N 3.07Å
11N54.2Low53Low107 Ų107142 Ų14257%0.57268%0.676SS**Hα-helixtrans-70-32-174.9-6214.1000111.5Q7 N13 L14 R15Q7-N11 PolarHBondContact O-OD1 2.85Å; N11-N13 VanDerWaalsContact C-N 3.34Å; N11-L14 PolarHBondContact O-N 3.1Å; N11-R15 PolarHBondContact O-N 3.26Å; N11-R15 VanDerWaalsContact O-N 3.12Å
12Q56Low52.4Low123 Ų123138.4 Ų138.458%0.57567%0.666SS**Hα-helixtrans-70.2-27175.5-160.3175.525.500113.2K8 S10K8-Q12 PolarHBondContact O-N 3.23Å; S10-Q12 VanDerWaalsContact C-N 3.32Å; S10-Q12 PolarHBondContact O-N 3.5Å
13N48.7Very low52.2Low112 Ų112140.6 Ų140.660%0.59967%0.67SS**Hα-helixtrans-80.1-39.5172-82.2-6.8000112.2R9 S10 N11 R15 R16 Q17R9-N13 PolarHBondContact O-N 3.21Å; S10-N13 PolarHBondContact O-N 2.8Å; N11-N13 VanDerWaalsContact C-N 3.34Å; N13-R15 VanDerWaalsContact C-N 3.31Å; N13-R15 PolarHBondContact O-N 3.35Å; N13-R16 PolarHBondContact O-N 3.41Å; N13-Q17 PolarHBondContact O-N 3.25Å
14L53.7Low51.8Low114 Ų114135.9 Ų135.960%0.59766%0.662SS**Hα-helixtrans-59.1-44176-132.573.3000111.1S10 N11 R16 Q17 H18S10-L14 PolarHBondContact O-N 2.9Å; S10-L14 VanDerWaalsContact O-N 3.07Å; N11-L14 PolarHBondContact O-N 3.1Å; L14-R16 PolarHBondContact O-N 2.88Å; L14-R16 VanDerWaalsContact O-N 3.14Å; L14-Q17 PolarHBondContact O-N 3.47Å; L14-H18 PolarHBondContact O-CD2 3.39Å
15R52.7Low51Low216 Ų216136.5 Ų136.582%0.81567%0.669SS**Hα-helixtrans-66.1-12.2176.8-156175.3-175.4-164.60.6114.2N11 N13N11-R15 PolarHBondContact O-N 3.26Å; N11-R15 VanDerWaalsContact O-N 3.12Å; N13-R15 VanDerWaalsContact C-N 3.31Å; N13-R15 PolarHBondContact O-N 3.35Å
16R54.2Low50.2Low183 Ų183139.9 Ų139.969%0.69169%0.687SS**Hα-helixtrans-94.4-10.7171.9-74.2179.8178.5-105.70.6113.8N13 L14N13-R16 PolarHBondContact O-N 3.41Å; L14-R16 PolarHBondContact O-N 2.88Å; L14-R16 VanDerWaalsContact O-N 3.14Å
17Q53.5Low49.2Very low153 Ų153143.3 Ų143.372%0.71570%0.699SS**Hα-helixtrans-93.2-20.8177.9-67.2-77.7-100.300112.8N13 L14N13-Q17 PolarHBondContact O-N 3.25Å; L14-Q17 PolarHBondContact O-N 3.47Å
18H51Low48.6Very low160 Ų160141.7 Ų141.774%0.74171%0.709SS**SBendtrans-103.635.7175.9-57.2-69.2000112.2L14L14-H18 PolarHBondContact O-CD2 3.39Å
19S46.7Very low47.7Very low86 Ų86144.5 Ų144.560%0.60172%0.716SS**  trans-141.740.1-175.8-174.20000112.1
20M43.6Very low46.9Very low181 Ų181143 Ų14389%0.89272%0.72SS**  trans-89.7117.5151.7-58.3-150.6-46.900106.5
21K47Very low46.2Very low174 Ų174148.4 Ų148.476%0.75774%0.738SS**  trans-72.5146.4168.3-69.9-178.3173.4-174.10108.6D23K21-D23 PolarHBondContact O-N 3.18Å
22T41.4Very low45.4Very low121 Ų121148 Ų14874%0.74274%0.744SS**  trans-77.698.9155.844.50000106.5D24T22-D24 PolarHBondContact O-N 3.01Å
23D47.5Very low44.6Very low141 Ų141147.1 Ų147.175%0.75475%0.75SS**  trans-86.3102.1167.1-62.6-34000106.1K21K21-D23 PolarHBondContact O-N 3.18Å
24D43.3Very low43.9Very low127 Ų127149.1 Ų149.168%0.67976%0.761SS**  trans-75.8166.9-178.7-71.4-62.7000112.3T22T22-D24 PolarHBondContact O-N 3.01Å
25L40.6Very low43.3Very low150 Ų150152.6 Ų152.679%0.78577%0.771SS**  trans69.3108171.1-55.7119.5000116.8
26D43.2Very low42.4Very low165 Ų165147.5 Ų147.588%0.88277%0.768SS**  -152.6122.9107.7-119.5-22.2000111.3A28D26-A28 PolarHBondContact O-N 3.1Å
27N35.6Very low41.5Very low156 Ų156144.4 Ų144.483%0.83477%0.774SS**  trans-8979.9-175.5-83.2-43.6000111.2Y29N27-Y29 PolarHBondContact O-N 3.16Å
28A43.9Very low40.8Very low99 Ų99145.2 Ų145.282%0.81878%0.783SS**PPolyproline II helixtrans-75122.4171.600000111.3D26D26-A28 PolarHBondContact O-N 3.1Å
29Y38.2Very low40Very low232 Ų232142.3 Ų142.391%0.9178%0.781SS**PPolyproline II helixtrans-46.6149.4-167.3-135.1-109.3000117.7N27N27-Y29 PolarHBondContact O-N 3.16Å
30I38.2Very low39.8Very low142 Ų142144 Ų14473%0.72879%0.787SS**PPolyproline II helixtrans-76.1135171.8-60.1160.3000109.8
31E38.1Very low39.6Very low175 Ų175144 Ų14482%0.81879%0.785SS**  trans-142.1133.3147.7-163.5161.5-129.100110.3
32S37Very low39.3Very low99 Ų99146.2 Ų146.269%0.69279%0.789SS**  trans-131.594-175.2-60.20000109.4D34S32-D34 PolarHBondContact O-N 3.03Å; S32-D34 VanDerWaalsContact O-N 3.16Å
33C37.5Very low39.3Very low103 Ų103149.4 Ų149.470%0.69680%0.795SS**  trans-9067.5-171.5-73.50000113.6F35C33-F35 PolarHBondContact O-N 3.34Å
34D34.5Very low38.9Very low155 Ų155151 Ų15183%0.82980%0.798SS**  trans-85.294.4157.3-85.3-43.7000109.2S32S32-D34 PolarHBondContact O-N 3.03Å; S32-D34 VanDerWaalsContact O-N 3.16Å
35F40.6Very low38.7Very low186 Ų186151.1 Ų151.182%0.81680%0.803SS**  trans-13399.6175.6-103.2-80.8000115C33C33-F35 PolarHBondContact O-N 3.34Å
36C35Very low38.6Very low110 Ų110149.7 Ų149.774%0.74380%0.801SS**  trans47.2119.4135.2-61.40000120.4
37S35.4Very low38.3Very low117 Ų117146.9 Ų146.982%0.81879%0.794SS**  trans-49.7144.1160.5-43.60000113.6
38N39.1Very low38.3Very low170 Ų170146.5 Ų146.591%0.90979%0.792SS**  trans-113129.4155.6-102.4-40000110.2
39S34Very low38.6Very low99 Ų99147.1 Ų147.169%0.69279%0.788SS**  trans-140.5177.8170.970.10000107.6
40V41.6Very low38.9Very low122 Ų122142.3 Ų142.374%0.73979%0.785SS**  trans78135-159.6-170.60000108.6
41Q39.8Very low38.9Very low181 Ų181142.8 Ų142.885%0.84679%0.789SS**  cis-130.1166.531-154.6144.9-26.600115.5
42R40.5Very low39Very low220 Ų220142.5 Ų142.583%0.8379%0.788SS**  trans-113.2153.1179.4-45.5169.6-165.4-135.80108.7
43Q42.5Very low39.1Very low188 Ų188144.3 Ų144.388%0.87979%0.787SS**  -179171.2120.4-97.9167.94.500112.3
44H37.8Very low39.3Very low175 Ų175147.6 Ų147.681%0.8179%0.792SS**  trans-105.6-173.3-172.5-79.2-115.6000111.8
45T39.2Very low39.6Very low129 Ų129144.1 Ų144.179%0.79178%0.78SS**  trans79.6153.9167.872.10000115.8
46T38.3Very low39.5Very low120 Ų120145.5 Ų145.574%0.73678%0.781SS**  cis167.5145-49.834.20000107
47S37.6Very low40Very low107 Ų107147.1 Ų147.175%0.74878%0.782SS**  trans72.6149.3176.290.90000114.7
48N35.9Very low40.4Very low147 Ų147147 Ų14779%0.78677%0.772SS**  cis-150.5163.21.9-92.1-40.6000111
49P50.1Low40.5Very low113 Ų113147.9 Ų147.973%0.73476%0.764SS**  trans-93.2172.1163.138.9-34.3000112.8
50P45Very low40.8Very low131 Ų131148 Ų14885%0.85177%0.765SS**  -149-175.8108.540.2-23.7000115.9
51N37.4Very low40.9Very low152 Ų152147.3 Ų147.381%0.81376%0.761SS**  trans-71.9162.4174.6-65.4-46.7000113.5
52E39.4Very low41Very low168 Ų168147 Ų14779%0.78576%0.757SS**  -173125.2108.1-102.2179-150.600115.6
53M39.9Very low41Very low138 Ų138146.1 Ų146.168%0.6875%0.754SS**  trans55.2155.6142.7-66.7-166.2-7600124.8
54Q40.7Very low40.9Very low171 Ų171146.8 Ų146.880%0.79975%0.75SS**  trans75.9133.2163.8-66148.452.600117.6
55S40.8Very low41.1Very low82 Ų82144 Ų14457%0.57375%0.745SS**  cis-169.1147.3-8.856.30000113.1
56Y40.3Very low40.9Very low215 Ų215145 Ų14584%0.84375%0.746SS**  trans65.1152.5163.1-52.9-54.3000116.3
57L45Very low41.1Very low144 Ų144148.7 Ų148.775%0.75475%0.754SS**  cis-163.6148.4-3.5-137.888.9000105.8
58D42.6Very low41.1Very low115 Ų115151.7 Ų151.762%0.61576%0.758SS**  cis-162.2-178.3-16.4-134.7-28.4000114.3
59Y41.6Very low41.2Very low188 Ų188151.7 Ų151.774%0.73776%0.759SS**  trans24.5132.6159.5-71.4-68.4000125.6
60S40.6Very low40.6Very low101 Ų101152.3 Ų152.371%0.70676%0.76SS**  trans57.1104.4136-59.20000119.5
61T42.9Very low40.4Very low109 Ų109156.8 Ų156.867%0.66976%0.762SS**  cis70.8110.719.8-60.50000117.1
62K43.4Very low40.3Very low173 Ų173154.7 Ų154.775%0.75276%0.759SS**  trans68.2135.3162.6-63.9162-166.9165.80115.6
63R40.4Very low40.3Very low203 Ų203152.1 Ų152.177%0.76676%0.76SS**  -167.515450.4-99.4114.1-172-73.69.3112.1
64Y40.5Very low40.3Very low202 Ų202151.3 Ų151.379%0.79277%0.768SS**  44.7154.8129.6-69.7-123.2000121.7
65T42.2Very low40.3Very low115 Ų115147 Ų14771%0.70677%0.769SS**  cis-166.5163.3-2125.30000108.6
66N35Very low40.3Very low152 Ų152152.9 Ų152.981%0.81378%0.784SS**  trans-17.3134.3161.9-55.9-23.2000117.7
67Q42.6Very low40.3Very low196 Ų196148 Ų14892%0.91678%0.781SS**  -142.5152.2127.4-75.8-151.410.700111.4
68M36.7Very low40.1Very low170 Ų170147.6 Ų147.684%0.83779%0.785SS**  trans-77.1156.2177.8-61.5159.7160.100111.5
69N38.3Very low39.7Very low148 Ų148147.2 Ų147.279%0.79179%0.791SS**  -171.4147.2110.8-96.6-29.1000112.9
70T37.4Very low40Very low125 Ų125143.2 Ų143.277%0.76779%0.788SS**  trans-106.1124.9180-53.80000109.6
71Y40.3Very low39.7Very low225 Ų225146.2 Ų146.288%0.88279%0.79SS**  trans-138131.5165.6-89.7-78.5000111.7
72S35.9Very low39.6Very low108 Ų108147.7 Ų147.776%0.75579%0.793SS**  trans-110.8133.8177.8-54.30000109.9
73S39.5Very low39.3Very low114 Ų114145.9 Ų145.980%0.79779%0.791SS**  trans-179.1124141.852.20000114.7
74S39.9Very low39.2Very low121 Ų121143.5 Ų143.585%0.84679%0.794SS**  trans10.4128.6145.857.80000121.8
75G39.7Very low39.1Very low80 Ų80139.4 Ų139.483%0.82579%0.789SS**  trans-15766.3175.300000117.5
76K40.7Very low39Very low207 Ų207141 Ų14190%0.979%0.793SS**  trans-9.2120.9161-54.3163.2-178.6174.10120.6
77S40.8Very low39.1Very low111 Ų111140.2 Ų140.278%0.77679%0.789SS**  trans171.3110135.655.70000112
78V40.9Very low39Very low137 Ų137136.7 Ų136.783%0.8378%0.783SS**  78.29687.5175.10000115.9
79S34.6Very low39Very low106 Ų106134.2 Ų134.274%0.74178%0.782SS**  26.2163.2118.3-63.50000122.9
80P47.2Very low39.1Very low104 Ų104133.2 Ų133.268%0.67578%0.784SS**  cis-146-171.2-26.536.5-14.6000115.8
81H35.1Very low39.1Very low164 Ų164133.2 Ų133.276%0.75979%0.789SS**  trans65.1111.4138.7-98-64.2000123
82L39.6Very low39.3Very low140 Ų140125.8 Ų125.873%0.73377%0.774SS**  147.9145.3114.8-82165000115.1
83L39Very low39.4Very low135 Ų135129 Ų12971%0.70778%0.777SS**  trans40.9121.6148.3-63.3164.4000118.7
84N38.4Very low39Very low153 Ų153129.8 Ų129.882%0.81878%0.783SS**  -155.4157.957.6-107.9-32.3000116.1
85V38.2Very low38.9Very low116 Ų116128.6 Ų128.670%0.70377%0.774SS**  trans-70.9143.8177.11720000112.2
86L39.5Very low38.7Very low149 Ų149133.3 Ų133.378%0.7878%0.779SS**  -172.3117.7128-100.6165.7000114.8
87N36.7Very low38.6Very low136 Ų136130.1 Ų130.173%0.72778%0.777SS**  trans56.8122.3153.7-64.6-7.8000122.6
88P41.1Very low38.6Very low122 Ų122129.3 Ų129.379%0.79278%0.777SS**  trans-92.4165.816238.6-33.7000112.8
89S36.2Very low38.2Very low118 Ų118129.6 Ų129.683%0.82578%0.779SS**  trans-144.2132.4157.2-89.70000109.8
90P39.5Very low38.2Very low127 Ų127129.6 Ų129.683%0.82578%0.779SS**  trans-93.2151.3-17235.6-35000113.8
91S38.9Very low38.1Very low124 Ų124135.1 Ų135.187%0.86779%0.786SS**  trans-135.981.5161.7-162.70000111.7
92A43.1Very low38.1Very low70 Ų70133 Ų13358%0.57979%0.785SS**  trans2.9114.7153.900000120
93H39.4Very low38.2Very low175 Ų175132.3 Ų132.381%0.8179%0.792SS**  trans66.271.1131.4-47.9-46.7000120.2
94S30.1Very low38.5Very low131 Ų131132.9 Ų132.992%0.91679%0.79SS**  -90.1113.9126.653.20000108.3
95S37.7Very low38.6Very low95 Ų95132.5 Ų132.566%0.66478%0.784SS**  trans-141.2120.6-177.1-168.90000111.6
96L35.2Very low38.8Very low179 Ų179132.7 Ų132.794%0.93779%0.788SS**  trans-76.4128.7173.5-69.6157.9000109.4
97V38.8Very low39Very low141 Ų141128.7 Ų128.786%0.85577%0.772SS**  trans-109123165.3-179.70000108.3
98A40.8Very low39.3Very low93 Ų93132.1 Ų132.177%0.76978%0.781SS**  trans-83160.1-172.900000113.3
99V32.6Very low39.3Very low144 Ų144133.5 Ų133.587%0.87378%0.777SS**  trans-71.3138.9-176.1-179.80000112.2
100S35.8Very low39.5Very low106 Ų106133.5 Ų133.574%0.74178%0.777SS**  trans-137.496.1157.2-1580000114.1
101R44.6Very low39.5Very low219 Ų219138.5 Ų138.583%0.82678%0.781SS**  trans54.2101.8136.5-58.2179.3-172.6-177.12.5120.4
102V36Very low39.6Very low121 Ų121139.7 Ų139.773%0.73378%0.778SS**  57.3113120178.90000119Q104V102-Q104 HydrophobicContact CG1-CG 4.35Å
103S41Very low39.1Very low125 Ų125141.7 Ų141.787%0.87479%0.787SS**  trans-132.1127.8132-178.20000107.2
104Q44.1Very low38.9Very low146 Ų146138.5 Ų138.568%0.68278%0.784SS**  trans-114.1123.1-173.6-84.7-174.1-1.300112.1V102V102-Q104 HydrophobicContact CG1-CG 4.35Å
105Q40.7Very low39.2Very low145 Ų145141.4 Ų141.468%0.67879%0.786SS**  trans65.4175.4153.1-58.7-154.8-42.600114.9S107Q105-S107 PolarHBondContact NE2-OG 2.71Å
106P43.3Very low39.3Very low121 Ų121142.4 Ų142.479%0.78679%0.793SS**  cis-72.9147.121.1-18.733.8000115.7
107S44.6Very low39.2Very low65 Ų65138.5 Ų138.546%0.45579%0.786SS.*  trans-106.3124.4155.855.90000108.4Q105 E109Q105-S107 PolarHBondContact NE2-OG 2.71Å; S107-E109 PolarHBondContact O-N 3.08Å; S107-E109 VanDerWaalsContact O-N 3.15Å
108F41.4Very low39.2Very low207 Ų207137.5 Ų137.591%0.90878%0.781SS**  trans-12.399.2177.7-65.3-92.5000116.6S110F108-S110 PolarHBondContact O-N 3.42Å
109E41.7Very low38.7Very low151 Ų151137.9 Ų137.971%0.70678%0.778SS**  trans-53.9126.4152.6-86.768.6-15300109.5S107 Y111S107-E109 PolarHBondContact O-N 3.08Å; S107-E109 VanDerWaalsContact O-N 3.15Å; E109-Y111 PolarHBondContact O-N 2.77Å
110S40Very low39.1Very low118 Ų118142.9 Ų142.983%0.82578%0.781SS**  trans-72.4110.9174.9-54.50000108.9F108 D112F108-S110 PolarHBondContact O-N 3.42Å; S110-D112 PolarHBondContact O-N 3.44Å
111Y39.4Very low39.1Very low232 Ų232143.9 Ų143.991%0.9178%0.783SS**  trans-71.7125.5168.9-104-89000110E109E109-Y111 PolarHBondContact O-N 2.77Å
112D41.1Very low38.5Very low150 Ų150138.7 Ų138.780%0.80278%0.78SS**  trans-76.6165.5-164.3-159.86.1000113.7S110 S114S110-D112 PolarHBondContact O-N 3.44Å; D112-S114 PolarHBondContact O-N 3.49Å
113S33.9Very low38.4Very low111 Ų111137.4 Ų137.478%0.77678%0.777SS**SBendtrans-83.997.3-169-57.50000113.2
114S33.9Very low38.2Very low108 Ų108138.9 Ų138.976%0.75578%0.775SS**  trans-169.283.2151.960.60000115.1D112D112-S114 PolarHBondContact O-N 3.49Å
115M37.2Very low37.8Very low192 Ų192139 Ų13995%0.94678%0.78SS**  trans-134.5101.9148.8-77.9-154.876.300110
116S39.9Very low37.6Very low117 Ų117137 Ų13782%0.81878%0.78SS**  trans-65.8158.7179.1-57.80000112.4
117A33.3Very low37.1Very low96 Ų96137.5 Ų137.579%0.79378%0.776SS**  trans-59.5144.4-174.700000114.3
118T37.6Very low36.7Very low121 Ų121142.1 Ų142.174%0.74280%0.795SS**  trans-155.5128.9134.414.40000112.7
119S31.8Very low36.2Very low101 Ų101138.4 Ų138.471%0.70678%0.783SS**  trans30.7102.7139-50.10000120.3
120W39.5Very low35.8Very low248 Ų248136.8 Ų136.894%0.93978%0.783SS**  trans-124.155.2155.1-81.477000111.6S122W120-S122 PolarHBondContact O-N 3.14Å
121T35.9Very low35.4Very low128 Ų128137 Ų13779%0.78578%0.775SS**  trans-85.990.216549.10000109.3S123T121-S123 PolarHBondContact O-N 3.35Å; T121-S123 VanDerWaalsContact O-N 3.09Å
122S32.5Very low35.2Very low109 Ų109134.1 Ų134.176%0.76278%0.775SS**  trans-71.8100.5177.2-1710000110.8W120W120-S122 PolarHBondContact O-N 3.14Å
123S34.6Very low34.8Very low95 Ų95133 Ų13366%0.66477%0.769SS**  trans-86116.8176.353.20000111.2T121 D125T121-S123 PolarHBondContact O-N 3.35Å; T121-S123 VanDerWaalsContact O-N 3.09Å; S123-D125 PolarHBondContact O-N 3.02Å
124N35.7Very low34.6Very low156 Ų156137.4 Ų137.483%0.83477%0.768SS**  trans-92.587.4163.3-78.1-37.1000109.3
125D36Very low34.5Very low149 Ų149144 Ų14480%0.79778%0.779SS**  trans-109.8140.2163.7-82.2-38.4000109.6S123S123-D125 PolarHBondContact O-N 3.02Å
126P36Very low34.3Very low102 Ų102140 Ų14066%0.66277%0.765SS**  trans-127.9162.314237.7-29.1000112.5
127D33.8Very low34Very low131 Ų131142 Ų14270%0.70177%0.767SS**  trans64.992.7160.7-50.1-32.5000118.8
128L35.3Very low33.9Very low163 Ų163143.8 Ų143.885%0.85376%0.763SS**  177.1100.9103.2-106.299.6000109.2
129I32Very low33.7Very low128 Ų128143.6 Ų143.666%0.65676%0.757SS**  60.695.279.8-57.3-179.6000113.6
130T31.8Very low33.8Very low117 Ų117149.5 Ų149.572%0.71876%0.764SS**  trans80.5151.8149.267.50000122.8
131N32.2Very low33.6Very low122 Ų122143 Ų14365%0.65276%0.756SS**  trans78.176.2152.7-60.8-33.9000120.4
132N34.2Very low33.5Very low172 Ų172144.8 Ų144.892%0.9276%0.76SS**  trans-159.478.6135.7-88-46.3000106.9
133L34.2Very low33.3Very low127 Ų127144.9 Ų144.967%0.66576%0.76SS**  67.888.762.9-151.282.6000113.8
134R29.3Very low33.4Very low203 Ų203145.5 Ų145.577%0.76676%0.762SS**  trans56.1102.6147.5-56.6175.4-171.7-156.60.6118
135Y32.6Very low33.4Very low247 Ų247145 Ų14597%0.96976%0.759SS**  -114.7136124-96.1-93000108.6
136T31.2Very low33.4Very low107 Ų107144.9 Ų144.966%0.65675%0.754SS**  trans-119.2138-172.948.10000110.2
137N33.5Very low33.3Very low161 Ų161146.9 Ų146.986%0.86176%0.755SS**  trans179.6139.3151.6-86.3-21.8000107.6
138D32.6Very low33.3Very low133 Ų133148.1 Ų148.171%0.71175%0.754SS**  cis-163.3174.9-20.2-167.914000109.1
139L33.5Very low33.2Very low117 Ų117145.8 Ų145.861%0.61375%0.747SS**  trans81.4115.1157.2-61.4-178.5000121.6
140R32.9Very low33.3Very low225 Ų225146 Ų14685%0.84975%0.749SS**  trans79.590.7139.4-61.8167.7-174.4171.42.7120.5
141S34.9Very low33.4Very low112 Ų112146.7 Ų146.778%0.78375%0.747SS**  -156.3139.611755.40000112.2
142L33.8Very low33.5Very low164 Ų164146.1 Ų146.186%0.85975%0.748SS**  trans-18.1124.8177-5489.5000116.7
143S28.6Very low33.7Very low111 Ų111143.4 Ų143.478%0.77674%0.738SS**  69.7125.659.9-160.40000112.1
144P38.2Very low33.8Very low108 Ų108144 Ų14470%0.70174%0.742SS**  -145.8171.666.941.7-24.5000118.4
145N34.1Very low34.1Very low146 Ų146145 Ų14578%0.78175%0.745SS**  trans68.5133.4157.1-82.1-24.8000118.4
146Q37.5Very low34.3Very low147 Ų147138.1 Ų138.169%0.68773%0.734SS**  cis-141.2160.9-1.2-56.4-175-7.300110.8
147Q34Very low34.6Very low143 Ų143139.5 Ų139.567%0.66874%0.742SS**  trans43.1140140.4-69.3175.87.300120.9
148F32.5Very low34.4Very low158 Ų158137 Ų13769%0.69374%0.737SS**  cis-163.5152.48.2-112-50.1000109.3
149T34.3Very low34.7Very low114 Ų114136.2 Ų136.270%0.69974%0.74SS**  trans62.3147.7153.257.80000119.5
150N33.3Very low34.9Very low131 Ų131135.6 Ų135.670%0.70175%0.745SS**  cis-160.8160.10.2-121.8-14.1000113.3
151I34.8Very low35.3Very low133 Ų133131.5 Ų131.568%0.68274%0.738SS**  trans66.998.7147.8-64.6165.5000117.1
152T34.3Very low35.6Very low110 Ų110133.8 Ų133.868%0.67574%0.737SS**  78.1119.891.6-54.60000113.6
153T36.9Very low35.9Very low115 Ų115132 Ų13271%0.70672%0.724SS**  -166.6122.891-66.10000112.9
154N37.2Very low36.6Very low138 Ų138135.5 Ų135.574%0.73872%0.72SS**  trans35.9148.4143.9-49.2-24.2000120.8
155R35.5Very low36.9Very low224 Ų224137 Ų13785%0.84572%0.722SS**  cis-171.1143.137-160-176.2-165.2-172.13.7112.1
156S35.7Very low37.3Very low103 Ų103137.5 Ų137.572%0.7273%0.725SS**  trans58.8142.9157.551.10000119.1
157T38.7Very low37.4Very low136 Ų136135.9 Ų135.983%0.83473%0.725SS**  cis-145151.318.3-38.40000112
158S29.1Very low37.7Very low109 Ų109138.2 Ų138.276%0.76273%0.733SS**  trans-93.1-163.1178.8-41.20000111.4
159P39.5Very low38Very low117 Ų117135.1 Ų135.176%0.7673%0.731SS**  cis-140.1169.6-5.741.8-24.1000117.5
160S37.3Very low38.3Very low104 Ų104135.6 Ų135.673%0.72773%0.734SS**  trans-170.8110.6153.3-162.30000107.8
161I41.9Very low38.5Very low138 Ų138136.4 Ų136.471%0.70874%0.738SS**  69.2119.278.7-63.6166000110.1
162Q39.6Very low38.7Very low161 Ų161137.6 Ų137.675%0.75275%0.746SS**  cis-162.1174.914.2-147167.9-21.400113.1
163E41.9Very low38.8Very low125 Ų125137.6 Ų137.658%0.58475%0.75SS**  trans79.3144.3159.2-42.5-136.7135.200119.8
164R42.9Very low39.1Very low186 Ų186138.8 Ų138.870%0.70275%0.751SS**  cis-158.5138.6-16.6-109.1175.1-156.7174.417111.2
165N43.3Very low39.3Very low139 Ų139138.4 Ų138.474%0.74375%0.749SS**  trans61.3106145.6-55.2-8.4000123.7
166N43.6Very low39.2Very low157 Ų157138.4 Ų138.484%0.8475%0.75SS**  -165.799.2126.5-106.6-23.4000109.4
167V38.7Very low39.3Very low112 Ų112137.4 Ų137.468%0.67976%0.756SS**  88.2107.490.3167.70000114.7
168K41.8Very low39.2Very low193 Ų193138.5 Ų138.584%0.83976%0.757SS**  trans62.8158.4162.7-66.8172.5179.5178.70118.5
169S37.8Very low39.8Very low93 Ų93137.8 Ų137.865%0.6575%0.75SS**  cis-175.2136.2-32.8-91.40000109.6
170T41.4Very low39.9Very low124 Ų124140.5 Ų140.576%0.76175%0.749SS**  trans59.8160.3156.457.40000118.7
171N37.8Very low40Very low147 Ų147143.4 Ų143.479%0.78675%0.752SS**  cis-157.8176.6-22-104.3-8000109.9
172N37.2Very low39.9Very low159 Ų159143 Ų14385%0.8575%0.751SS**  trans-73.4152.6-171.7-55.1-42.7000116.9
173S38Very low39.9Very low109 Ų109142.7 Ų142.776%0.76275%0.754SS**  trans-166.5108.7152-168.50000108.4
174I42.7Very low39.8Very low140 Ų140145.6 Ų145.672%0.71876%0.764SS**  88.7118.871-70.3168.1000114.6
175N40.3Very low39.6Very low130 Ų130144 Ų14470%0.69577%0.768SS**  trans58.4119.6153.3-66.4-4.8000124.9
176Y34.8Very low39.2Very low224 Ų224142.9 Ų142.988%0.87877%0.766SS**  trans38.3124.5130.8-59-74.5000122.6
177G37.2Very low39Very low82 Ų82141.9 Ų141.985%0.84576%0.761SS**  trans-171.993.3162.400000114.3
178N36.1Very low39Very low160 Ų160144.7 Ų144.786%0.85677%0.767SS**  trans-83.9169.2165-130.5-6.3000108.4
179P42Very low38.8Very low94 Ų94142.8 Ų142.861%0.6177%0.765SS**  cis-144.7-16010.639.1-15.4000115.7
180K41.7Very low38.7Very low173 Ų173148.4 Ų148.475%0.75278%0.778SS**  trans82.3140.3151.1-78.9170.9-175.9178.90119.9
181Q40.4Very low38.3Very low166 Ų166147 Ų14778%0.77677%0.773SS**  trans69.3143.2155.5-65.9176.4-83.900116.8
182D39.1Very low38.1Very low128 Ų128143.5 Ų143.568%0.68476%0.76SS**  cis-154.9-168.2-7.1-123-37.4000111.2
183L40.1Very low37.9Very low156 Ų156144.9 Ų144.982%0.81777%0.766SS**  trans76.888.2164-69.6143.9000118.3
184K39Very low38Very low185 Ų185147.4 Ų147.480%0.80476%0.764SS**  trans-54.8145.1143-53.6165.7179.1173.30110.1
185I38Very low37.4Very low154 Ų154145.3 Ų145.379%0.7976%0.762SS**  -134.6110.1127.1-61.5-173.2000108.7
186T36.6Very low37.2Very low114 Ų114146.4 Ų146.470%0.69977%0.766SS**  trans-91.5133.5159.146.50000109
187N39Very low37.1Very low137 Ų137144.8 Ų144.873%0.73376%0.763SS**  trans-154.2121.1150.3-85.6-37.8000105.2
188E37.2Very low37.1Very low170 Ų170146.4 Ų146.479%0.79476%0.757SS**  53.9108.173.2-65.3-147.917800113.3
189L37.7Very low37Very low154 Ų154147.5 Ų147.581%0.80675%0.754SS**  -165.4100.9113.2-103.5166.9000111.3S191L189-S191 PolarHBondContact O-N 3.38Å
190K35.5Very low36.8Very low211 Ų211150.3 Ų150.392%0.91776%0.759SS**  trans-71.2105.9154.9-71.3173.3178.7170.80107.6
191S33.3Very low36.3Very low93 Ų93147 Ų14765%0.6575%0.754SS**  trans-171.5153.2149.358.40000114.9L189L189-S191 PolarHBondContact O-N 3.38Å
192S33.2Very low36.2Very low75 Ų75146.6 Ų146.652%0.52475%0.75SS.*  trans6164.8139.3-167.90000119.3K194S192-K194 PolarHBondContact O-N 3.49Å; S192-K194 WeakPolarHBondContact OG-CD 3.33Å; S192-K194 WeakPolarHBondContact OG-CG 3.42Å
193L34.3Very low35.9Very low187 Ų187149.5 Ų149.598%0.97976%0.759SS**  trans-82.866.7136-135.977000109.6S195L193-S195 PolarHBondContact O-N 3.12Å
194K39.1Very low35.8Very low162 Ų162146.6 Ų146.670%0.70475%0.752SS**  trans-69129.1174.2-81.9175.4-177.9173.30109.6S192 I196S192-K194 PolarHBondContact O-N 3.49Å; S192-K194 WeakPolarHBondContact OG-CD 3.33Å; S192-K194 WeakPolarHBondContact OG-CG 3.42Å; K194-I196 PolarHBondContact O-N 3.2Å
195S30.3Very low35.7Very low97 Ų97147.5 Ų147.568%0.67876%0.756SS**  trans0.899.4154.9590000116.2L193 K197L193-S195 PolarHBondContact O-N 3.12Å; S195-K197 PolarHBondContact O-N 3.35Å
196I37Very low35.5Very low152 Ų152150.2 Ų150.278%0.77976%0.762SS**  trans-73.381.9164.5-59.6-179.6000108K194 T198K194-I196 PolarHBondContact O-N 3.2Å; I196-T198 VanDerWaalsContact C-N 3.31Å; I196-T198 HydrophobicContact CG2-CG2 3.93Å; I196-T198 PolarHBondContact O-N 3.45Å
197K32.4Very low35.8Very low190 Ų190154.3 Ų154.383%0.82677%0.77SS**  trans-76.987157.9-87.1-177.3172176.20107.4S195 K199S195-K197 PolarHBondContact O-N 3.35Å; K197-K199 PolarHBondContact O-N 3.48Å
198T37.4Very low35.8Very low117 Ų117154.9 Ų154.972%0.71877%0.773SS**  trans-64.783.1164.224.60000109.1I196 E200I196-T198 VanDerWaalsContact C-N 3.31Å; I196-T198 HydrophobicContact CG2-CG2 3.93Å; I196-T198 PolarHBondContact O-N 3.45Å; T198-E200 PolarHBondContact O-N 3.44Å
199K33.8Very low36.1Very low183 Ų183152.6 Ų152.680%0.79677%0.773SS**  trans-77.560.2171.9-167.5-170.6177-1730109K197 T201K197-K199 PolarHBondContact O-N 3.48Å; K199-T201 PolarHBondContact O-N 3.22Å; K199-T201 VanDerWaalsContact O-N 3.1Å; K199-T201 PolarHBondContact O-OG1 3.26Å
200E37.7Very low36Very low152 Ų152152.5 Ų152.571%0.7177%0.772SS**  trans-69110.8-172.8-152.5179.2-147.500109.7T198 F202T198-E200 PolarHBondContact O-N 3.44Å; E200-F202 HydrophobicContact CG-CD2 3.68Å; E200-F202 HydrophobicContact CG-CE2 3.74Å; E200-F202 PolarHBondContact O-N 3.49Å
201T30.8Very low36.1Very low105 Ų105152.3 Ų152.364%0.64477%0.772SS**  trans-103.766.7-165.5-57.10000110K199 Q203K199-T201 PolarHBondContact O-N 3.22Å; K199-T201 VanDerWaalsContact O-N 3.1Å; K199-T201 PolarHBondContact O-OG1 3.26Å; T201-Q203 PolarHBondContact O-N 3.47Å
202F37.9Very low36.2Very low156 Ų156158.8 Ų158.868%0.68478%0.782SS**  trans-9193.2176.1-81.9-66.7000112.6E200 S204E200-F202 HydrophobicContact CG-CD2 3.68Å; E200-F202 HydrophobicContact CG-CE2 3.74Å; E200-F202 PolarHBondContact O-N 3.49Å; F202-S204 PolarHBondContact O-N 3.35Å
203Q32.8Very low36.3Very low190 Ų190160.2 Ų160.289%0.88879%0.792SS**  trans-75.688160.6-71.3-165.755.800110.5T201T201-Q203 PolarHBondContact O-N 3.47Å
204S38.2Very low36.5Very low94 Ų94158.3 Ų158.366%0.65778%0.781SS**  trans-131.180177.648.50000113.6F202F202-S204 PolarHBondContact O-N 3.35Å
205K37Very low36.1Very low204 Ų204155.6 Ų155.689%0.88778%0.778SS**  trans33.9109.8146.3-62.2178-178.8175.90118.2K207K205-K207 PolarHBondContact O-N 2.75Å
206K34.4Very low36.7Very low211 Ų211159 Ų15992%0.91779%0.788SS**  trans-39.3126160-60.6169.6177.9173.40112.7
207K42Very low36.6Very low201 Ų201157.3 Ų157.387%0.87478%0.781SS**  trans-143.9135.4147-75.5-162.6174.9-175.30109.3K205K205-K207 PolarHBondContact O-N 2.75Å
208N40.5Very low36.7Very low149 Ų149156.3 Ų156.380%0.79778%0.784SS**PPolyproline II helixtrans-83.1145.9174.4-61.2-23.6000109.7
209P43.8Very low36.7Very low122 Ų122157.2 Ų157.279%0.79279%0.785SS**PPolyproline II helixtrans-66.3148.4157.130.7-32.9000109.9
210L35.8Very low36.9Very low152 Ų152155.8 Ų155.880%0.79679%0.786SS**PPolyproline II helixtrans-69.5138.1-174.4-80.660.7000111.8
211F37.1Very low37.1Very low207 Ų207155.5 Ų155.591%0.90879%0.786SS**PPolyproline II helixtrans-97.8121.6140.5-87.8-85.2000107.8S213F211-S213 PolarHBondContact O-N 2.85Å; F211-S213 VanDerWaalsContact O-N 3.16Å
212R34.6Very low37.5Very low228 Ų228155.7 Ų155.786%0.8679%0.789SS**  trans-71.9100.8169.1-84.3-179.2164.4-172.4-4.9109
213S34.7Very low37.4Very low105 Ų105154.3 Ų154.373%0.73479%0.789SS**  trans-83.6117154.251.90000108F211 T215F211-S213 PolarHBondContact O-N 2.85Å; F211-S213 VanDerWaalsContact O-N 3.16Å; S213-T215 PolarHBondContact O-N 3.49Å
214I38.7Very low37.4Very low148 Ų148152.1 Ų152.176%0.75978%0.783SS**  trans-81.4104.7177.4-49.1171.8000107.5
215T32.3Very low37.1Very low104 Ų104154.6 Ų154.664%0.63879%0.788SS**  trans-78.9137.9158.943.90000108.4S213S213-T215 PolarHBondContact O-N 3.49Å
216L41.5Very low36.9Very low170 Ų170153 Ų15389%0.8978%0.783SS**  trans-98.4115.9162.3-77.5171.8000106.6
217D34.7Very low36.6Very low116 Ų116148.2 Ų148.262%0.6277%0.767SS**  trans-77.3154.7-177.3-46.8-51000110.4
218N36Very low36.1Very low168 Ų168146.5 Ų146.590%0.89877%0.768SS**  trans-153.359.3160.1-113.1-27.5000107.9
219D36.6Very low35.6Very low137 Ų137144.6 Ų144.673%0.73376%0.758SS**  trans-64.4136.5169.3-79.1-45000110
220N38.8Very low35Very low152 Ų152146.1 Ų146.181%0.81376%0.759SS**  trans-144.167.2161.1-114.7-29.6000108.8
221M39.9Very low34.8Very low146 Ų146143.8 Ų143.872%0.71975%0.753SS**  trans-78.2143.9152.3-74.4-72.698.800108.5
222P40.7Very low34.4Very low109 Ų109141.5 Ų141.571%0.70875%0.75SS**  -119.9136.5106.737.6-35.7000109.7
223N34.4Very low34.2Very low128 Ų128135.6 Ų135.668%0.68474%0.744SS**  46.785.571.7-68.910.9000110.2
224D33.7Very low34Very low143 Ų143136.4 Ų136.477%0.76575%0.749SS**  94.9150.290.9-101.6-39.2000112
225I30.9Very low33.5Very low146 Ų146134.4 Ų134.475%0.74975%0.748SS**  trans63.1100.2171.7-52.8150.9000115.7
226H34.3Very low33.3Very low171 Ų171134 Ų13479%0.79275%0.75SS**  -169.698.9130-97.5-64.3000108
227N27.6Very low32.8Very low110 Ų110130.6 Ų130.659%0.58874%0.74SS**  55.766.197.3-16430.3000115.5N229N227-N229 VanDerWaalsContact C-N 3.33Å; N227-N229 PolarHBondContact ND2-ND2 3.01Å; N227-N229 PolarHBondContact ND2-OD1 2.99Å; N227-N229 VanDerWaalsContact ND2-OD1 3.14Å; N227-N229 PolarHBondContact O-N 2.85Å; N227-N229 PolarHBondContact O-ND2 3.47Å; N227-N229 PolarHBondContact OD1-OD1 2.98Å
228N30.9Very low32.6Very low165 Ų165130.9 Ų130.988%0.88275%0.746SS**  trans-75.486.3162.2-94.9-0.1000110.2N230N228-N230 PolarHBondContact O-N 3.24Å
229N31.1Very low32.5Very low109 Ų109126.2 Ų126.258%0.58373%0.727SS**  trans-62129.5157.4-39.6-87.6000108.2N227N227-N229 VanDerWaalsContact C-N 3.33Å; N227-N229 PolarHBondContact ND2-ND2 3.01Å; N227-N229 PolarHBondContact ND2-OD1 2.99Å; N227-N229 VanDerWaalsContact ND2-OD1 3.14Å; N227-N229 PolarHBondContact O-N 2.85Å; N227-N229 PolarHBondContact O-ND2 3.47Å; N227-N229 PolarHBondContact OD1-OD1 2.98Å
230N30.4Very low32.4Very low154 Ų154131 Ų13182%0.82473%0.734SS**  178.5161.8109.1-98.4-12.1000112.8N228N228-N230 PolarHBondContact O-N 3.24Å
231P33Very low32.2Very low104 Ų104130 Ų13068%0.67573%0.728SS**  trans-90.9-177.9-16938.9-38.8000113.3
232L28.7Very low31.8Very low158 Ų158130.8 Ų130.883%0.82773%0.728SS**SBendtrans13.2134.8143.4-67.2162.7000119.2
233S28.6Very low31.3Very low105 Ų105133.9 Ų133.973%0.73473%0.73SS**  trans80.5141.4155.3-54.30000117.8
234S30.9Very low31.1Very low121 Ų121133.7 Ų133.785%0.84673%0.729SS**  trans62.6138.117269.20000117
235S29.4Very low31.1Very low107 Ų107131.9 Ų131.975%0.74873%0.727SS**  cis-148166.6-21.360.50000110.7
236S27.9Very low31.2Very low95 Ų95133.1 Ų133.166%0.66473%0.727SS**  trans-51.7169.8157.352.10000112.7
237S30.7Very low31Very low99 Ų99130 Ų13069%0.69273%0.725SS**  trans76.3152.7149.3-630000116.2
238T31.2Very low31.2Very low121 Ų121129.2 Ų129.274%0.74273%0.728SS**  cis-157166.4-0.70.80000112.8
239S32.1Very low31.4Very low70 Ų70130 Ų13049%0.4973%0.726SS.*  trans46.1124.3144.269.60000119.9L241S239-L241 PolarHBondContact O-N 3.44Å
240R35.2Very low31.6Very low237 Ų237129 Ų12989%0.89473%0.728SS**  51.85462.2-50175.385.2-169.611.7114
241L33.9Very low32.1Very low131 Ų131127 Ų12769%0.68672%0.718SS**  trans-120.4124.9157.6-63.2179.1000110.2S239S239-L241 PolarHBondContact O-N 3.44Å
242K31.4Very low32.5Very low164 Ų164129.2 Ų129.271%0.71372%0.716SS**  cis-160.9163.9-23.6-129.9172.4-156.2158.10109
243K31.8Very low32.8Very low174 Ų174129.9 Ų129.976%0.75771%0.712SS**  trans1.3130.6130.7-65.1-176178.1-170.10114.2
244L30.5Very low32.9Very low124 Ų124131.6 Ų131.665%0.64971%0.713SS**  cis-157.9158.438.8-93.8115.2000114F246L244-F246 HydrophobicContact CB-CD2 4.02Å; L244-F246 HydrophobicContact CB-CE2 3.75Å; L244-F246 HydrophobicContact CD1-CE2 4.39Å; L244-F246 HydrophobicContact CD2-CE2 3.92Å; L244-F246 HydrophobicContact CD2-CZ 4.01Å; L244-F246 HydrophobicContact CG-CE2 4.21Å; L244-F246 PolarHBondContact O-N 3.34Å
245S33.1Very low32.9Very low105 Ų105136 Ų13673%0.73471%0.712SS**  trans-61115.5152.250.40000113.1
246F32.6Very low33Very low171 Ų171141.7 Ų141.775%0.7572%0.718SS**  trans-139.7122.8148.7-66.1-75.1000105.8L244L244-F246 HydrophobicContact CB-CD2 4.02Å; L244-F246 HydrophobicContact CB-CE2 3.75Å; L244-F246 HydrophobicContact CD1-CE2 4.39Å; L244-F246 HydrophobicContact CD2-CE2 3.92Å; L244-F246 HydrophobicContact CD2-CZ 4.01Å; L244-F246 HydrophobicContact CG-CE2 4.21Å; L244-F246 PolarHBondContact O-N 3.34Å
247S30.7Very low33.2Very low107 Ų107141.7 Ų141.775%0.74872%0.718SS**  63.899.857.4-168.80000112.4
248S30.7Very low33.3Very low93 Ų93142.5 Ų142.565%0.6571%0.714SS**  -178.8154111.6440000111.9
249Q35.5Very low33.3Very low180 Ų180146.2 Ų146.284%0.84172%0.715SS**  trans62143.3151.5-72.1166-2.100120.7
250S34.8Very low33.4Very low89 Ų89149.5 Ų149.562%0.62273%0.726SS**  cis-170.1169.4-29.339.80000109.5
251D41Very low33.2Very low113 Ų113147.4 Ų147.460%0.60472%0.723SS**  trans83.5136.8155.7-67.41.6000120
252K41.7Very low33.2Very low150 Ų150145.2 Ų145.265%0.65272%0.719SS**  cis-164.5138.1-22.9-121.7163.6-159.7133.70108.9
253K36.3Very low33.6Very low171 Ų171146.3 Ų146.374%0.74372%0.724SS**  trans61.2113.5149.7-66.7175.6-179.7-173.80117.9
254L29.8Very low34Very low142 Ų142145 Ų14574%0.74373%0.73SS**  7012780.8-90.3118.8000114.1
255Y31.3Very low34.4Very low213 Ų213146 Ų14684%0.83574%0.736SS**  trans34.7128.7143.2-72.4-113.7000117.6
256R30.3Very low34.9Very low227 Ų227146.6 Ų146.686%0.85774%0.737SS**  -165.6162.858.4-148.1175.6-166.3165.52.3112.7
257S33.7Very low35.2Very low95 Ų95147.6 Ų147.666%0.66474%0.741SS**  trans-63.2174.1157.2-45.80000112.1
258D31Very low35.4Very low116 Ų116151.3 Ų151.362%0.6275%0.747SS**  trans77145.7-176.4-47.25.2000113.9
259R32.7Very low35.6Very low199 Ų199155.7 Ų155.775%0.75176%0.759SS**  cis-137.7146.38.8-100.6103.7-153.3-95.8-3.5111.4
260L33.7Very low35.7Very low139 Ų139156.1 Ų156.173%0.72876%0.763SS**  trans53.4141.7134.7-54.2171000121.8
261F31.4Very low35.7Very low192 Ų192159.4 Ų159.484%0.84277%0.774SS**  trans0.5137.1140.4-52.8-98.7000116.5
262S33.8Very low35.4Very low86 Ų86162.6 Ų162.660%0.60179%0.79SS**  cis-174.9166.447.877.60000114
263K40.3Very low35.1Very low187 Ų187164.9 Ų164.981%0.81380%0.8SS**  trans45.9114145.7-59.1159.7-171.4172.20118.7
264V38.6Very low35.1Very low145 Ų145163.7 Ų163.788%0.87980%0.8SS**  -175.7154.3103.5148.40000110.1
265L40.6Very low35.4Very low147 Ų147164.5 Ų164.577%0.7780%0.804SS**  trans-97-178.5-179-68156.6000110.5
266P43.6Very low35.4Very low117 Ų117161 Ų16176%0.7680%0.799SS**  cis-112.3177.6-12.137.9-23000111.2
267K37.4Very low35.7Very low191 Ų191157.4 Ų157.483%0.8379%0.794SS**  cis8339.418.7-144.6-175.3-179.5-179.10117.6
268E35.7Very low35.6Very low186 Ų186161.4 Ų161.487%0.86980%0.799SS**  trans-145.2166.7146.1-116.2168.2-158.900108.1
269M35.6Very low35.8Very low185 Ų185164.7 Ų164.791%0.91181%0.808SS**SBendtrans58.276.6-174.2-60-177.467.900116.5
270M37.1Very low35.9Very low189 Ų189162.1 Ų162.193%0.93181%0.809SS**  trans-166.586.3145-108.9176.1-155.700110.2
271D33.8Very low35.9Very low158 Ų158159 Ų15985%0.84581%0.811SS**  trans-62.3163.5152.1-75.1-56.2000109.5
272L35Very low35.8Very low180 Ų180155.4 Ų155.494%0.94281%0.81SS**  trans72.468.8-172.9-51.2164.5000114.7
273K35.7Very low36Very low197 Ų197156.5 Ų156.586%0.85782%0.817SS**  trans-135.2106.8145.7-159.1158.1-171.9172.80114.5
274I35.2Very low35.6Very low146 Ų146153 Ų15375%0.74981%0.808SS**  trans-31.6128.1161.2-61.6155.8000111.7
275I36.6Very low35.5Very low160 Ų160154.7 Ų154.782%0.82181%0.811SS**  trans-116.6107.2161.2-64.3178.1000106.9
276D32.3Very low35.3Very low138 Ų138154.9 Ų154.974%0.73881%0.805SS**  trans-64.6134157.9-80.3-63.9000109.1
277M35.6Very low34.6Very low153 Ų153155 Ų15575%0.75481%0.809SS**  -169.6107.6126.6-105.6175.168.500113.3
278K32.9Very low34.8Very low179 Ų179152.1 Ų152.178%0.77881%0.807SS**  trans68.2130.2143.7-63.9180176.7-178.60120.1
279K35.1Very low34.5Very low185 Ų185148.8 Ų148.880%0.80480%0.8SS**  trans75.8114.7137-165.7175.7-179.3-177.20115.3
280D33.4Very low34.3Very low144 Ų144146.3 Ų146.377%0.7780%0.795SS**  cis-147.1176.630.8-94.9-47.7000113.3
281G33.2Very low34Very low75 Ų75143.3 Ų143.377%0.77379%0.792SS**  trans84.169.5145.200000119.7
282S30.7Very low33.9Very low116 Ų116139 Ų13981%0.81179%0.785SS**  trans-67.4133.2172.7177.70000114.3
283S36.9Very low34Very low109 Ų109136.1 Ų136.176%0.76278%0.78SS**  -176.699.8128.433.30000115.1L285S283-L285 PolarHBondContact O-N 2.9Å
284D32.2Very low34.7Very low114 Ų114134.3 Ų134.361%0.6178%0.775SS**  trans31.475.4147.1-82.95.9000119.8K286D284-K286 HydrophobicContact CB-CG 4.45Å; D284-K286 VanDerWaalsContact CG-NZ 3.32Å; D284-K286 PolarHBondContact O-N 2.61Å; D284-K286 IonicContact OD1-NZ 2.61Å; D284-K286 PolarHBondContact OD1-NZ 3.36Å; D284-K286 IonicContact OD2-NZ 3.38Å; D284-K286 PolarHBondContact OD2-NZ 2.79Å
285L35.7Very low35.7Very low179 Ų179132.6 Ų132.694%0.93777%0.767SS**  trans-77.870.1149.9-78.8176.2000110.4S283 S287S283-L285 PolarHBondContact O-N 2.9Å; L285-S287 PolarHBondContact O-N 3.46Å
286K36.8Very low37.6Very low151 Ų151130.4 Ų130.466%0.65776%0.756SS**  trans-75.3103.5173.2-82.6177171.4128.50110.6D284 V288D284-K286 HydrophobicContact CB-CG 4.45Å; D284-K286 VanDerWaalsContact CG-NZ 3.32Å; D284-K286 PolarHBondContact O-N 2.61Å; D284-K286 IonicContact OD1-NZ 2.61Å; D284-K286 PolarHBondContact OD1-NZ 3.36Å; D284-K286 IonicContact OD2-NZ 3.38Å; D284-K286 PolarHBondContact OD2-NZ 2.79Å; K286-V288 PolarHBondContact O-N 3.07Å
287S30.1Very low39.6Very low119 Ų119131.8 Ų131.883%0.83276%0.755SS**  trans-61.3114.3167.340.50000110.3L285L285-S287 PolarHBondContact O-N 3.46Å
288V40Very low41.5Very low132 Ų132126 Ų12680%0.874%0.736SS**  trans-127.2106.7169.4-179.60000108.1K286K286-V288 PolarHBondContact O-N 3.07Å
289T30.1Very low43.8Very low116 Ų116121.4 Ų121.471%0.71272%0.719SS**  trans-78174.2170.7470000110.9
290T31.9Very low45.9Very low132 Ų132120.5 Ų120.581%0.8171%0.711SS**SBendtrans81.7145.2170.476.90000117.3
291S31.6Very low48Very low126 Ų126120.7 Ų120.788%0.88171%0.705SS**  trans-43121.1-177.247.30000116.2
292G29.9Very low50.1Low67 Ų67125.9 Ų125.969%0.69170%0.701SS**  trans-160.8132.9165.900000110.3Q294G292-Q294 PolarHBondContact O-N 3.05Å
293S37Very low52.3Low120 Ų120122.6 Ų122.684%0.83968%0.681SS**  trans-52125.9-175.245.70000112.1N295S293-N295 PolarHBondContact O-N 3.41Å
294Q51.2Low54.2Low159 Ų159122.9 Ų122.974%0.74367%0.669SS**  trans-60.5101.7-177.6-74.2-168.1-300110.3G292 I296 L299G292-Q294 PolarHBondContact O-N 3.05Å; Q294-I296 PolarHBondContact O-N 3.07Å; Q294-L299 HydrophobicContact CB-CD1 4.47Å
295N55.6Low56.1Low111 Ų111123 Ų12359%0.59467%0.665SS**  trans-66.7109-179.7-175.2-21000109S293 K297 G298 L299S293-N295 PolarHBondContact O-N 3.41Å; N295-K297 PolarHBondContact O-N 3.21Å; N295-K297 WeakPolarHBondContact OD1-CB 3.4Å; N295-K297 PolarHBondContact OD1-N 3.01Å; N295-G298 WeakPolarHBondContact O-CA 3.13Å; N295-G298 PolarHBondContact O-N 3.35Å; N295-L299 PolarHBondContact O-N 3.41Å
296I76.8Confident58Low114 Ų114117.5 Ų117.559%0.58564%0.642SS**Hα-helixtrans-50.3-35.5-179-67.1171.3000111.4Q294 G298 L299 W300Q294-I296 PolarHBondContact O-N 3.07Å; I296-G298 VanDerWaalsContact C-N 3.27Å; I296-G298 PolarHBondContact O-N 3.18Å; I296-L299 PolarHBondContact O-N 3.12Å; I296-W300 VanDerWaalsContact O-CD1 3.28Å; I296-W300 PolarHBondContact O-N 3.38Å
297K74.6Confident59.5Low166 Ų166115.7 Ų115.772%0.72264%0.639SS**Hα-helixtrans-65.2-28.2176.1-64.3176.1178.6170.10113.5N295 K301N295-K297 PolarHBondContact O-N 3.21Å; N295-K297 WeakPolarHBondContact OD1-CB 3.4Å; N295-K297 PolarHBondContact OD1-N 3.01Å; K297-K301 WeakPolarHBondContact O-CB 3.21Å; K297-K301 PolarHBondContact O-N 2.97Å
298G76.9Confident61Low33 Ų33117.9 Ų117.934%0.3463%0.629SS.*Hα-helixtrans-72.1-42.3174.800000112.4N295 I296 K301 R302N295-G298 WeakPolarHBondContact O-CA 3.13Å; N295-G298 PolarHBondContact O-N 3.35Å; I296-G298 VanDerWaalsContact C-N 3.27Å; I296-G298 PolarHBondContact O-N 3.18Å; G298-K301 PolarHBondContact O-N 3.44Å; G298-R302 PolarHBondContact O-N 3.28Å; G298-R302 VanDerWaalsContact O-N 3.07Å
299L79.6Confident61.9Low82 Ų82118.5 Ų118.543%0.42962%0.621SS.*Hα-helixtrans-62-51.6171.5-78.9163000111.1Q294 N295 I296 K301 R302 A303Q294-L299 HydrophobicContact CB-CD1 4.47Å; N295-L299 PolarHBondContact O-N 3.41Å; I296-L299 PolarHBondContact O-N 3.12Å; L299-K301 VanDerWaalsContact C-N 3.3Å; L299-K301 PolarHBondContact O-N 3.34Å; L299-R302 WeakPolarHBondContact O-CB 3.46Å; L299-R302 PolarHBondContact O-N 3.47Å; L299-A303 PolarHBondContact O-N 2.86Å
300W79.5Confident63.1Low165 Ų165117.6 Ų117.663%0.62561%0.612SS**Hα-helixtrans-58.4-38.1176.7-85.789000112.9I296 F304I296-W300 VanDerWaalsContact O-CD1 3.28Å; I296-W300 PolarHBondContact O-N 3.38Å; W300-F304 HydrophobicContact CE3-CD2 4Å; W300-F304 AromaticContact CE3-CE2 3.87Å; W300-F304 HydrophobicContact CE3-CE2 3.87Å; W300-F304 HydrophobicContact CZ3-CD2 4.49Å; W300-F304 AromaticContact CZ3-CE2 3.97Å; W300-F304 HydrophobicContact CZ3-CE2 3.97Å; W300-F304 WeakPolarHBondContact O-CB 3.1Å; W300-F304 PolarHBondContact O-N 3.47Å
301K77.9Confident64.1Low148 Ų148119.3 Ų119.364%0.64361%0.608SS**Hα-helixtrans-62.1-42.2172.3-101.8-165.4169.6-1650112.5K297 G298 L299 H305K297-K301 WeakPolarHBondContact O-CB 3.21Å; K297-K301 PolarHBondContact O-N 2.97Å; G298-K301 PolarHBondContact O-N 3.44Å; L299-K301 VanDerWaalsContact C-N 3.3Å; L299-K301 PolarHBondContact O-N 3.34Å; K301-H305 PolarHBondContact O-CD2 3.48Å; K301-H305 PolarHBondContact O-N 2.84Å
302R76.5Confident65.1Low184 Ų184118.1 Ų118.169%0.69460%0.595SS**Hα-helixtrans-64.5-51.6179.8-131179.5-71.5177.3-4.8110.3G298 L299 F304 H305 S306G298-R302 PolarHBondContact O-N 3.28Å; G298-R302 VanDerWaalsContact O-N 3.07Å; L299-R302 WeakPolarHBondContact O-CB 3.46Å; L299-R302 PolarHBondContact O-N 3.47Å; R302-F304 PolarHBondContact O-N 3.15Å; R302-H305 PolarHBondContact O-N 3.27Å; R302-S306 PolarHBondContact O-N 3.21Å; R302-S306 PolarHBondContact O-OG 3.13Å
303A77Confident66.1Low48 Ų48119.9 Ų119.940%0.39759%0.589SS.*Hα-helixtrans-57.6-44.417700000113L299 H305 S306 L307L299-A303 PolarHBondContact O-N 2.86Å; A303-H305 PolarHBondContact O-N 3.31Å; A303-S306 PolarHBondContact O-N 3.05Å; A303-L307 WeakPolarHBondContact O-CD1 3.24Å; A303-L307 PolarHBondContact O-N 3.43Å
304F76.8Confident66.8Low114 Ų114121.4 Ų121.450%0.558%0.58SS.*Hα-helixtrans-68-18.3176.6-105.1-77.5000114.7W300 R302 R308W300-F304 HydrophobicContact CE3-CD2 4Å; W300-F304 AromaticContact CE3-CE2 3.87Å; W300-F304 HydrophobicContact CE3-CE2 3.87Å; W300-F304 HydrophobicContact CZ3-CD2 4.49Å; W300-F304 AromaticContact CZ3-CE2 3.97Å; W300-F304 HydrophobicContact CZ3-CE2 3.97Å; W300-F304 WeakPolarHBondContact O-CB 3.1Å; W300-F304 PolarHBondContact O-N 3.47Å; R302-F304 PolarHBondContact O-N 3.15Å; F304-R308 WeakPolarHBondContact O-CD 3.26Å; F304-R308 WeakPolarHBondContact O-CG 3.29Å
305H73.7Confident66.5Low116 Ų116119.4 Ų119.454%0.53758%0.575SS.*Hα-helixtrans-85.2-38.8172-81.7-58.9000111.8K301 R302 A303 R308 K309K301-H305 PolarHBondContact O-CD2 3.48Å; K301-H305 PolarHBondContact O-N 2.84Å; R302-H305 PolarHBondContact O-N 3.27Å; A303-H305 PolarHBondContact O-N 3.31Å; H305-R308 PolarHBondContact O-N 3.09Å; H305-K309 PolarHBondContact O-N 3.5Å
306S74.8Confident66.2Low64 Ų64122.3 Ų122.345%0.44859%0.585SS.*Hα-helixtrans-58.5-54172.3-54.60000111.3R302 A303 R308 K309 D310R302-S306 PolarHBondContact O-N 3.21Å; R302-S306 PolarHBondContact O-OG 3.13Å; A303-S306 PolarHBondContact O-N 3.05Å; S306-R308 PolarHBondContact O-N 3.29Å; S306-K309 PolarHBondContact O-N 3.18Å; S306-D310 PolarHBondContact O-N 2.92Å
307L68.2Low64.8Low113 Ų113123.8 Ų123.859%0.59259%0.593SS**Hα-helixtrans-59-6.3178.4-9888.5000115.6A303A303-L307 WeakPolarHBondContact O-CD1 3.24Å; A303-L307 PolarHBondContact O-N 3.43Å
308R62.2Low63.4Low165 Ų165123.6 Ų123.662%0.62359%0.592SS**Hα-helixtrans-103.5-25.2174.2-73-178.7-177.5-169.41.9113.7F304 H305 S306F304-R308 WeakPolarHBondContact O-CD 3.26Å; F304-R308 WeakPolarHBondContact O-CG 3.29Å; H305-R308 PolarHBondContact O-N 3.09Å; S306-R308 PolarHBondContact O-N 3.29Å
309K59.1Low61.6Low146 Ų146133.3 Ų133.364%0.63562%0.618SS**Hα-helixtrans-72.8-41.7173.7-69.5-169.5171.8-164.40110.9H305 S306 K311 T312H305-K309 PolarHBondContact O-N 3.5Å; S306-K309 PolarHBondContact O-N 3.18Å; K309-K311 PolarHBondContact O-N 2.74Å; K309-T312 PolarHBondContact O-N 3.36Å; K309-T312 PolarHBondContact O-OG1 3.23Å
310D53.9Low59.8Low97 Ų97138.5 Ų138.552%0.51964%0.637SS.*THydrogen-bonded Turntrans-61.3-6.5178.4-50.6-24.4000114.7S306S306-D310 PolarHBondContact O-N 2.92Å
311K54.2Low58Low168 Ų168138.3 Ų138.373%0.7364%0.643SS**THydrogen-bonded Turntrans-105.7-2.9178.4-65.5-159.6174.4-158.40114.7K309K309-K311 PolarHBondContact O-N 2.74Å
312T51.9Low55.8Low101 Ų101138.9 Ų138.962%0.6265%0.653SS**THydrogen-bonded Turntrans-109.7-24.417740.50000113.8K309K309-T312 PolarHBondContact O-N 3.36Å; K309-T312 PolarHBondContact O-OG1 3.23Å
313D51.6Low53.8Low103 Ų103133.5 Ų133.555%0.55166%0.655SS**SBendtrans-89.1-7.3-177.5-64.1-43.5000114.3D315D313-D315 PolarHBondContact O-N 3.24Å
314K50.1Low51.9Low153 Ų153139.6 Ų139.667%0.66568%0.681SS**THydrogen-bonded Turntrans-79.1-14.5-174.9-72.5-162.7175.1-166.80115.7
315D45.3Very low49.9Very low117 Ų117143.5 Ų143.563%0.62670%0.701SS**THydrogen-bonded Turntrans-89.5-8.1-178-71.9-47.9000114.5D313D313-D315 PolarHBondContact O-N 3.24Å
316Q49Very low47.9Very low171 Ų171143.7 Ų143.780%0.79972%0.715SS**SBendtrans-88.1-14174.4-63.9-157.572.700113.9K318Q316-K318 VanDerWaalsContact C-N 3.33Å; Q316-K318 PolarHBondContact O-N 3.27Å
317I48.1Very low45.8Very low146 Ų146147.1 Ų147.175%0.74973%0.734SS**SBendtrans-95.252.8-176.1-42.2178.2000111.1
318K44.2Very low44Very low162 Ų162147.7 Ų147.770%0.70474%0.737SS**  trans-13515.1-178.2-79.3-175.7177.4167.20115.3Q316Q316-K318 VanDerWaalsContact C-N 3.33Å; Q316-K318 PolarHBondContact O-N 3.27Å
319R39.5Very low42.9Very low237 Ų237145.6 Ų145.689%0.89475%0.745SS**  trans-139.772.2-179.7-61.1-172.3-165.9174.75.9113.8
320K41.9Very low42Very low190 Ų190146.6 Ų146.683%0.82675%0.752SS**  trans176.6108.3150.5-100.8168179.7-173.80107.3
321E41.8Very low41.4Very low161 Ų161147.5 Ų147.575%0.75276%0.761SS**  100.996.761-178.5168.8-143.700111.1
322N32.4Very low41.1Very low161 Ų161145 Ų14586%0.86176%0.762SS**  trans33.8110.7146.7-52.6-19.8000119.3
323G34.9Very low40.4Very low71 Ų71150 Ų15073%0.73278%0.778SS**  trans-174.864.4173.700000118.7
324N36.7Very low40.6Very low175 Ų175147.7 Ų147.794%0.93678%0.779SS**  trans64.9166.7162.7-63.1-29.8000118.9
325Q33.5Very low40.9Very low196 Ų196150.2 Ų150.292%0.91679%0.793SS**  trans-97.7143.7-170.8-57.9175.7-0.500112.8
326S32.5Very low42.2Very low120 Ų120148.7 Ų148.784%0.83979%0.788SS**  trans-156.3152.4137.1-165.30000110.6
327T30.3Very low43.8Very low137 Ų137144.9 Ų144.984%0.8477%0.773SS**  trans-101.4113.5-176.750.80000111.9
328D32Very low45.6Very low124 Ų124142.7 Ų142.766%0.66377%0.768SS**  trans-159.9128.3156.4-157.78.8000109.9Q330D328-Q330 PolarHBondContact O-N 3.49Å
329P38.3Very low47.5Very low121 Ų121139.1 Ų139.179%0.78676%0.76SS**  trans-76.160.5172.332.9-37.3000111.3T331P329-T331 PolarHBondContact O-N 3.06Å
330Q39.7Very low49.8Very low168 Ų168133.7 Ų133.779%0.78574%0.74SS**  trans-65.7111.4-179.1-152.8171.742.500109.4D328D328-Q330 PolarHBondContact O-N 3.49Å
331T42.3Very low51.8Low116 Ų116129.7 Ų129.771%0.71272%0.724SS**  trans-65124.6-172-62.70000109.7P329 E333P329-T331 PolarHBondContact O-N 3.06Å; T331-E333 PolarHBondContact O-N 3.48Å
332P46.9Very low54Low115 Ų115127.8 Ų127.875%0.74772%0.719SS**  trans-65.7133.1176.427.4-33.8000109.7G334P332-G334 PolarHBondContact O-N 2.95Å
333E38.5Very low56.6Low206 Ų206125.7 Ų125.796%0.96371%0.706SS**  trans-64106.4179.2-64.2-168.615200110.4T331T331-E333 PolarHBondContact O-N 3.48Å
334G55Low59Low54 Ų54129.4 Ų129.456%0.55770%0.698SS**  trans-154.5143.6-179.900000110.3P332 V336P332-G334 PolarHBondContact O-N 2.95Å; G334-V336 PolarHBondContact O-N 3.44Å
335E57.3Low61.2Low207 Ų207123.4 Ų123.497%0.96767%0.67SS**  trans-61.3104.2-175.5-169.7175.4-166.300110.8D337E335-D337 PolarHBondContact O-N 3.25Å
336V72.1Confident63.3Low85 Ų85116.7 Ų116.752%0.51565%0.648SS.*  trans-70.9120.9-176.8-178.40000109.5G334 P338 Y340 H341G334-V336 PolarHBondContact O-N 3.44Å; V336-P338 WeakPolarHBondContact O-CD 3.38Å; V336-P338 VanDerWaalsContact O-N 3.16Å; V336-Y340 HydrophobicContact CG1-CD1 4.27Å; V336-H341 HydrophobicContact CG1-CB 4.19Å
337D82.2Confident65.4Low90 Ų90113.6 Ų113.648%0.48163%0.63SS.*  trans-52.9119.7175.6178.2-7.6000110.3E335 V339 Y340 H341E335-D337 PolarHBondContact O-N 3.25Å; D337-V339 PolarHBondContact O-N 3.18Å; D337-V339 WeakPolarHBondContact OD1-CB 3.15Å; D337-V339 PolarHBondContact OD1-N 3.24Å; D337-Y340 WeakPolarHBondContact O-CB 3.31Å; D337-Y340 PolarHBondContact O-N 3.13Å; D337-H341 PolarHBondContact O-N 3.13Å
338P84.9Confident67.4Low100 Ų100110.7 Ų110.765%0.64962%0.615SS**Hα-helixtrans-62.5-24.1-17925.5-34.8000112.8V336 L342V336-P338 WeakPolarHBondContact O-CD 3.38Å; V336-P338 VanDerWaalsContact O-N 3.16Å; P338-L342 WeakPolarHBondContact O-CB 3.46Å; P338-L342 PolarHBondContact O-N 3.33Å
339V86.2Confident68.7Low88 Ų88112.5 Ų112.553%0.53362%0.617SS.*Hα-helixtrans-71.5-43.7173.8-175.10000110.5D337 L342 L343D337-V339 PolarHBondContact O-N 3.18Å; D337-V339 WeakPolarHBondContact OD1-CB 3.15Å; D337-V339 PolarHBondContact OD1-N 3.24Å; V339-L342 PolarHBondContact O-N 3.37Å; V339-L343 HydrophobicContact CG1-CD1 4.13Å; V339-L343 WeakPolarHBondContact O-CB 3.29Å; V339-L343 WeakPolarHBondContact O-CG 3.35Å; V339-L343 PolarHBondContact O-N 3.11Å
340Y87Confident69.4Low123 Ų123110.7 Ų110.748%0.48261%0.607SS.*Hα-helixtrans-62.7-44.6173.4176.9-101.3000111.1V336 D337 L342 L343 R344V336-Y340 HydrophobicContact CG1-CD1 4.27Å; D337-Y340 WeakPolarHBondContact O-CB 3.31Å; D337-Y340 PolarHBondContact O-N 3.13Å; Y340-L342 PolarHBondContact O-N 3.13Å; Y340-L343 PolarHBondContact O-N 2.92Å; Y340-R344 VanDerWaalsContact O-CB 3.27Å; Y340-R344 WeakPolarHBondContact O-CB 3.5Å; Y340-R344 PolarHBondContact O-N 3.43Å
341H84.8Confident69.8Low105 Ų105110.1 Ų110.149%0.48660%0.604SS.*Hα-helixtrans-61.2-44.7176.4-170.487.4000111.9V336 D337 R344 C345V336-H341 HydrophobicContact CG1-CB 4.19Å; D337-H341 PolarHBondContact O-N 3.13Å; H341-R344 PolarHBondContact O-N 2.93Å; H341-C345 PolarHBondContact NE2-SG 3.45Å; H341-C345 WeakPolarHBondContact O-CB 3.35Å; H341-C345 PolarHBondContact O-N 3.33Å; H341-C345 PolarHBondContact O-SG 2.88Å; H341-C345 VanDerWaalsContact O-SG 3.36Å
342L86.4Confident69.7Low122 Ų122109.9 Ų109.964%0.63960%0.603SS**Hα-helixtrans-63.2-44.7177.9-177.662.9000112.3P338 V339 Y340 C345 A346P338-L342 WeakPolarHBondContact O-CB 3.46Å; P338-L342 PolarHBondContact O-N 3.33Å; V339-L342 PolarHBondContact O-N 3.37Å; Y340-L342 PolarHBondContact O-N 3.13Å; L342-C345 PolarHBondContact O-N 3.33Å; L342-A346 WeakPolarHBondContact O-CB 3.47Å; L342-A346 PolarHBondContact O-N 3.13Å
343L86.7Confident69.4Low116 Ų116109.4 Ų109.461%0.60760%0.598SS**Hα-helixtrans-63.9-41.3176.4-73.6170.2000111.8V339 Y340 A346 A347V339-L343 HydrophobicContact CG1-CD1 4.13Å; V339-L343 WeakPolarHBondContact O-CB 3.29Å; V339-L343 WeakPolarHBondContact O-CG 3.35Å; V339-L343 PolarHBondContact O-N 3.11Å; Y340-L343 PolarHBondContact O-N 2.92Å; L343-A346 PolarHBondContact O-N 3.4Å; L343-A347 WeakPolarHBondContact O-CB 3.38Å; L343-A347 PolarHBondContact O-N 3.37Å
344R85.8Confident69.3Low149 Ų149102.6 Ų102.656%0.56258%0.577SS**Hα-helixtrans-62.1-46.9175.5-162.1179-157.5177.57.6111.1Y340 H341 A346 A347 S348Y340-R344 VanDerWaalsContact O-CB 3.27Å; Y340-R344 WeakPolarHBondContact O-CB 3.5Å; Y340-R344 PolarHBondContact O-N 3.43Å; H341-R344 PolarHBondContact O-N 2.93Å; R344-A346 VanDerWaalsContact C-N 3.34Å; R344-A346 PolarHBondContact O-N 2.89Å; R344-A347 PolarHBondContact O-N 2.9Å; R344-S348 WeakPolarHBondContact O-CB 3.43Å; R344-S348 PolarHBondContact O-N 2.96Å; R344-S348 PolarHBondContact O-OG 3.07Å; R344-S348 VanDerWaalsContact O-OG 3.13Å
345C82.5Confident68.5Low49 Ų49105.9 Ų105.933%0.33159%0.586SS.*Hα-helixtrans-64.9-33.8176.3-75.30000113.2H341 L342 K349H341-C345 PolarHBondContact NE2-SG 3.45Å; H341-C345 WeakPolarHBondContact O-CB 3.35Å; H341-C345 PolarHBondContact O-N 3.33Å; H341-C345 PolarHBondContact O-SG 2.88Å; H341-C345 VanDerWaalsContact O-SG 3.36Å; L342-C345 PolarHBondContact O-N 3.33Å; C345-K349 WeakPolarHBondContact O-CB 3.3Å; C345-K349 VanDerWaalsContact O-CG 3.28Å; C345-K349 WeakPolarHBondContact O-CG 3.28Å; C345-K349 PolarHBondContact O-N 2.85Å; C345-K349 VanDerWaalsContact O-N 3.11Å
346A77.7Confident67.6Low55 Ų55100.1 Ų100.146%0.45557%0.574SS.*Hα-helixtrans-66.7-49.8172.500000111.3L342 L343 R344 S348 K349 S350L342-A346 WeakPolarHBondContact O-CB 3.47Å; L342-A346 PolarHBondContact O-N 3.13Å; L343-A346 PolarHBondContact O-N 3.4Å; R344-A346 VanDerWaalsContact C-N 3.34Å; R344-A346 PolarHBondContact O-N 2.89Å; A346-S348 PolarHBondContact O-N 3.16Å; A346-K349 PolarHBondContact O-N 3.42Å; A346-K349 VanDerWaalsContact O-N 3.13Å; A346-S350 PolarHBondContact O-N 3.47Å; A346-S350 PolarHBondContact O-OG 3.49Å
347A77.7Confident65.9Low56 Ų56101.6 Ų101.646%0.46358%0.584SS.*Hα-helixtrans-59.5-43.4178.300000112.5L343 R344 K349 S350L343-A347 WeakPolarHBondContact O-CB 3.38Å; L343-A347 PolarHBondContact O-N 3.37Å; R344-A347 PolarHBondContact O-N 2.9Å; A347-K349 PolarHBondContact O-N 3.42Å; A347-S350 WeakPolarHBondContact CA-OG 3.39Å; A347-S350 PolarHBondContact O-N 3.36Å; A347-S350 PolarHBondContact O-OG 3.41Å
348S72.9Confident63.8Low76 Ų76103 Ų10353%0.53160%0.595SS.*Hα-helixtrans-64.4-36.5174.8-62.60000112.7R344 A346 S350R344-S348 WeakPolarHBondContact O-CB 3.43Å; R344-S348 PolarHBondContact O-N 2.96Å; R344-S348 PolarHBondContact O-OG 3.07Å; R344-S348 VanDerWaalsContact O-OG 3.13Å; A346-S348 PolarHBondContact O-N 3.16Å; S348-S350 VanDerWaalsContact C-N 3.33Å; S348-S350 PolarHBondContact O-N 3.5Å
349K57.4Low61.3Low161 Ų161101.1 Ų101.170%0.759%0.594SS**Hα-helixtrans-71.8-22.8176.1-77.3179.3177.8-173.90113.6C345 A346 A347C345-K349 WeakPolarHBondContact O-CB 3.3Å; C345-K349 VanDerWaalsContact O-CG 3.28Å; C345-K349 WeakPolarHBondContact O-CG 3.28Å; C345-K349 PolarHBondContact O-N 2.85Å; C345-K349 VanDerWaalsContact O-N 3.11Å; A346-K349 PolarHBondContact O-N 3.42Å; A346-K349 VanDerWaalsContact O-N 3.13Å; A347-K349 PolarHBondContact O-N 3.42Å
350S53.2Low58.7Low84 Ų84104.7 Ų104.759%0.58761%0.609SS**Hα-helixtrans-77.4-14.6178.1400000115.6A346 A347 S348A346-S350 PolarHBondContact O-N 3.47Å; A346-S350 PolarHBondContact O-OG 3.49Å; A347-S350 WeakPolarHBondContact CA-OG 3.39Å; A347-S350 PolarHBondContact O-N 3.36Å; A347-S350 PolarHBondContact O-OG 3.41Å; S348-S350 VanDerWaalsContact C-N 3.33Å; S348-S350 PolarHBondContact O-N 3.5Å
351Q49Very low56.2Low155 Ų155107.5 Ų107.572%0.72463%0.628SS**Hα-helixtrans-92.6-33.2178-74.2-170.3-18.900114T353 A354Q351-T353 VanDerWaalsContact C-N 3.25Å; Q351-T353 PolarHBondContact O-N 2.89Å; Q351-A354 PolarHBondContact O-N 3.32Å
352T40.2Very low53.7Low112 Ų112109.5 Ų109.569%0.68764%0.643SS**Hα-helixtrans-65.6-25.8-175.1-41.10000113.7
353T39.8Very low51.2Low104 Ų104108.6 Ų108.664%0.63865%0.647SS**THydrogen-bonded Turntrans-86.6-7.4-175.6-36.30000113.9Q351Q351-T353 VanDerWaalsContact C-N 3.25Å; Q351-T353 PolarHBondContact O-N 2.89Å
354A36.5Very low48.6Very low63 Ų63114.2 Ų114.252%0.52166%0.66SS.*SBendtrans-88.2-19.7-177.600000114.1Q351Q351-A354 PolarHBondContact O-N 3.32Å
355V38.2Very low46.3Very low123 Ų123113.9 Ų113.975%0.74567%0.668SS**SBendtrans-87.6-15.3-173.8-175.20000112.6
356A39.1Very low44Very low87 Ų87118 Ų11872%0.71969%0.687SS**SBendtrans-89.1-9.4-176.300000114.9
357T36.8Very low42.1Very low116 Ų116121.2 Ų121.271%0.71270%0.701SS**SBendtrans-132.117.1-165.146.90000114.8
358T37.5Very low40Very low119 Ų119127.3 Ų127.373%0.7372%0.717SS**  trans-127.4139.3153.555.40000108.7
359G32.9Very low38.3Very low61 Ų61130 Ų13063%0.62973%0.73SS**  cis118.954.314.400000110.7M361G359-M361 PolarHBondContact O-N 2.91Å
360I31.7Very low37.4Very low162 Ų162132.2 Ų132.283%0.83174%0.74SS**  trans14.4100.8163.5-50171.7000114.9
361M34.4Very low36.4Very low182 Ų182133.4 Ų133.490%0.89775%0.748SS**  trans-148.1141.5153.6-117.9177-69.200112.2G359G359-M361 PolarHBondContact O-N 2.91Å
362N31.3Very low36Very low147 Ų147131.8 Ų131.879%0.78675%0.754SS**  trans-84.7138.6-170.6-65.8-81.9000112
363S33.2Very low35.7Very low104 Ų104130.3 Ų130.373%0.72775%0.753SS**  trans-121.1100.4156.5-172.30000109.7I365S363-I365 PolarHBondContact O-N 2.82Å
364R32.3Very low35.7Very low233 Ų233130.9 Ų130.988%0.87976%0.758SS**  trans-81.799.5170.4-71.4-178.4-178.2168.90.4108.8
365I38.1Very low35.7Very low142 Ų142133.9 Ų133.973%0.72877%0.766SS**  trans-102.6113.6164.7-57-177.5000107.6S363 T367S363-I365 PolarHBondContact O-N 2.82Å; I365-T367 HydrophobicContact CG2-CG2 4.38Å
366N33.8Very low35.5Very low136 Ų136134.4 Ų134.473%0.72777%0.769SS**  trans-119.882.3-167.4-166.5-1.7000110.1
367T39.2Very low35.2Very low122 Ų122134.8 Ų134.875%0.74877%0.767SS**  trans-100.289-176.4370000111.5I365 T369I365-T367 HydrophobicContact CG2-CG2 4.38Å; T367-T369 PolarHBondContact O-N 3.19Å
368K33.2Very low35.1Very low185 Ų185136.2 Ų136.280%0.80477%0.769SS**  trans-73.9120.1174.6-68.2-179.1177.1-178.80111.9
369T37.5Very low34.9Very low133 Ų133136.4 Ų136.482%0.81677%0.77SS**  trans-133.3104.415841.90000111.8T367T367-T369 PolarHBondContact O-N 3.19Å
370K37.4Very low35Very low206 Ų206138.1 Ų138.190%0.89677%0.772SS**  trans21.8148.7142.4-59175.7-178.4178.40120.2
371S33.2Very low35.2Very low109 Ų109135 Ų13576%0.76277%0.765SS**  cis170117.8-14.4167.10000108.2
372S39.2Very low35.1Very low121 Ų121132.9 Ų132.985%0.84676%0.757SS**  trans-157.493.8157.257.10000110.6
373A33.6Very low35.4Very low82 Ų82133.6 Ų133.668%0.67876%0.756SS**  trans-77.3178.8161.600000109.2
374P41.2Very low35.4Very low115 Ų115137.8 Ų137.875%0.74776%0.762SS**  cis-133.2-178.344.3197.8000113.7
375D35Very low35.3Very low127 Ų127129.7 Ų129.768%0.67975%0.75SS**  cis-166.2162.1-26.2-103.2-27000110.4
376T35.5Very low35.3Very low133 Ų133131.6 Ų131.682%0.81676%0.756SS**  trans61.2150.4156.352.40000119.8
377S32.3Very low35.1Very low96 Ų96134.4 Ų134.467%0.67176%0.762SS**  cis-160.2155.1-13.344.40000108.4
378I34Very low35.1Very low145 Ų145135.8 Ų135.874%0.74476%0.764SS**  170.6120.7100.7-86.8168.6000104.4
379T34.5Very low35.3Very low123 Ų123136.1 Ų136.176%0.75577%0.765SS**  67.1128.483.2-47.20000112.3
380S33.9Very low35.1Very low97 Ų97134 Ų13468%0.67876%0.756SS**  cis-167.9-165.1-0.451.70000111.4
381S37.2Very low35Very low98 Ų98130 Ų13069%0.68575%0.745SS**  trans73.3130.4166.920.70000116.2
382N31.9Very low35Very low137 Ų137135 Ų13573%0.73375%0.749SS**  76.9141.457.5-68.434.4000111.8
383E37.2Very low34.8Very low161 Ų161134.9 Ų134.975%0.75275%0.748SS**  cis-155.2-167.25.7-132.2163.7123.400114.1
384F32.5Very low34.9Very low193 Ų193138.6 Ų138.685%0.84675%0.751SS**  trans-39.4131178.9-88.7-125.2000118.4
385G31.3Very low34.5Very low62 Ų62141.7 Ų141.764%0.63976%0.758SS**  62.9118.2107.100000122.2
386Q38.5Very low34.4Very low182 Ų182142.2 Ų142.285%0.8576%0.76SS**  trans-163.5128.4138.2-99.8145.8106.500107
387F29.9Very low34.4Very low195 Ų195141.7 Ų141.786%0.85576%0.762SS**  81.9146.463.4-94-73000114.7
388L39.1Very low34.4Very low152 Ų152147.8 Ų147.880%0.79677%0.772SS**  trans74.7128.7-171.1-48.3173.1000112.4
389K37.3Very low34.5Very low191 Ų191147 Ų14783%0.8378%0.776SS**  cis61.3132.746.8-67.2-172.2172.2-175.60112.3
390S31.9Very low34.3Very low89 Ų89144.8 Ų144.862%0.62278%0.778SS**  cis-156.8-179.1-8.235.40000106.5
391D36.6Very low34.4Very low122 Ų122145.5 Ų145.565%0.65278%0.783SS**  cis-171.7176.849.4-97.3-62.8000111.1
392Y32.5Very low34Very low215 Ų215148.2 Ų148.284%0.84379%0.788SS**  trans-11.7143163.2-58.8-95.1000117.9
393S34.8Very low34.2Very low118 Ų118148.7 Ų148.783%0.82579%0.79SS**  cis-154.9154.746.3570000116.2
394E36.3Very low34Very low159 Ų159149.2 Ų149.274%0.74380%0.797SS**  trans-83.7134.7175.3171.2-177.7-148.400112.5
395M32.9Very low34.1Very low181 Ų181148.3 Ų148.389%0.89280%0.795SS**  trans-155.4133.3152.2-95.3-54.2131.500111.3
396N32.5Very low34Very low137 Ų137154.9 Ų154.973%0.73381%0.806SS**  trans-84.9143.3171.3-66.3-68.1000111
397S35.7Very low33.8Very low123 Ų123150.5 Ų150.586%0.8680%0.801SS**  trans-158.8151.2158.4-84.70000112.3
398Y31.7Very low33.7Very low223 Ų223146.6 Ų146.688%0.87580%0.798SS**  trans-74.9156.2-175.7-93.1-119000113.2G400Y398-G400 PolarHBondContact O-N 3.33Å
399P36.8Very low33.4Very low129 Ų129145.4 Ų145.484%0.83880%0.798SS**SBendtrans-76.2119.8171.631.1-32.6000110.7
400G30.9Very low33.2Very low77 Ų77141.3 Ų141.379%0.79479%0.793SS**  trans153.537.4170.100000119.4Y398Y398-G400 PolarHBondContact O-N 3.33Å
401S34.3Very low33.3Very low111 Ų111143.2 Ų143.278%0.77680%0.801SS**  trans-148.9120.8165.748.70000115.1
402I30.5Very low32.9Very low156 Ų156143.3 Ų143.380%0.881%0.806SS**  trans15118136-40.1168.8000116.4
403L34.5Very low33Very low147 Ų147139.6 Ų139.677%0.7780%0.8SS**  -173.9134.3125.5-103.7159.4000112.9Q405L403-Q405 PolarHBondContact O-N 2.99Å; L403-Q405 VanDerWaalsContact O-N 3.13Å
404L34.1Very low33Very low171 Ų171143.3 Ų143.390%0.89580%0.801SS**  trans-75.693.3164.6-76.378.8000109
405Q34.9Very low32.9Very low174 Ų174140.6 Ų140.681%0.81380%0.797SS**  trans-84.1118.4165.9-77.1-164.8-8.300111.1L403 A407L403-Q405 PolarHBondContact O-N 2.99Å; L403-Q405 VanDerWaalsContact O-N 3.13Å; Q405-A407 PolarHBondContact O-N 3.38Å; Q405-A407 VanDerWaalsContact O-N 3.13Å
406K29.5Very low32.8Very low200 Ų200138.7 Ų138.787%0.8779%0.79SS**  trans-68.5100.9166.3-72.1175.9175.2175.60109.5S408K406-S408 PolarHBondContact O-N 2.77Å
407A32.9Very low33Very low90 Ų90141 Ų14174%0.74480%0.797SS**  trans-84.383.216500000110.1Q405 T409Q405-A407 PolarHBondContact O-N 3.38Å; Q405-A407 VanDerWaalsContact O-N 3.13Å; A407-T409 PolarHBondContact O-N 3.05Å
408S29.2Very low33.3Very low114 Ų114140.4 Ų140.480%0.79779%0.792SS**  trans-73100168.8-670000109.9K406K406-S408 PolarHBondContact O-N 2.77Å
409T32.8Very low33.8Very low127 Ų127136.5 Ų136.578%0.77979%0.787SS**  trans-108.6101.7169.148.90000110.5A407A407-T409 PolarHBondContact O-N 3.05Å
410S31.7Very low34.2Very low104 Ų104134.8 Ų134.873%0.72778%0.776SS**  trans-67.5128.2174.249.30000111.4T412S410-T412 PolarHBondContact O-N 2.95Å
411V34.3Very low34.5Very low130 Ų130143.1 Ų143.179%0.78878%0.783SS**  trans-85.192.5169-177.50000108.6L413V411-L413 HydrophobicContact CG1-CD1 4.29Å; V411-L413 HydrophobicContact CG1-CG 4.21Å
412T28.8Very low34.6Very low124 Ų124148.6 Ų148.676%0.76179%0.787SS**  trans-72.3125175.6-35.60000109.8S410S410-T412 PolarHBondContact O-N 2.95Å
413L34.6Very low35Very low137 Ų137145.6 Ų145.672%0.71778%0.778SS**  trans-137.4107.2175.8-81.2176.7000112.4V411V411-L413 HydrophobicContact CG1-CD1 4.29Å; V411-L413 HydrophobicContact CG1-CG 4.21Å
414K33.4Very low35.1Very low196 Ų196145.3 Ų145.385%0.85278%0.777SS**  trans68.1157.7162-61.2-170176.1-169.70116.9
415P34.8Very low35.4Very low101 Ų101143.6 Ų143.666%0.65676%0.764SS**  cis-133.6-170.1-42.639.5-24.1000111.2
416N31.7Very low35.7Very low141 Ų141143.7 Ų143.775%0.75476%0.759SS**  trans34.3115.4151.5-54.4-1.6000118.7
417E37.1Very low36.2Very low187 Ų187141.2 Ų141.287%0.87475%0.754SS**  -166.2162.5102.4-104.3161.5-160.900112.5
418S40.4Very low36.7Very low109 Ų109142.7 Ų142.776%0.76275%0.749SS**  trans-43.3162.9169.641.40000115.7
419D42.8Very low37.3Very low141 Ų141145.8 Ų145.875%0.75475%0.75SS**  cis-178.4-159.5-12.1-173.535.9000105.9
420P45.5Very low37.6Very low94 Ų94143.1 Ų143.161%0.6175%0.749SS**  -92.2164.8-9733.6-23.8000115.1
421R37.3Very low38Very low251 Ų251144.7 Ų144.795%0.94775%0.749SS**SBendtrans-110.386149.4-80.9-169.2-178.6177.21.6110.7
422R36.9Very low38.5Very low226 Ų226144.4 Ų144.485%0.85374%0.743SS**  trans177.1151.7138.7-103.8171.4173.6169-2.9110.8
423P38.1Very low38.9Very low94 Ų94144.6 Ų144.661%0.6174%0.739SS**  trans-80.4158.6160.339.2-35.3000109.8
424D36.9Very low39.3Very low141 Ų141145.1 Ų145.175%0.75474%0.742SS**  trans64.9145159.2-40.7-34.7000116.1
425E39.7Very low39.6Very low134 Ų134141.4 Ų141.463%0.62673%0.732SS**  cis-165.8155.6-3.9-125.2178.8156.500108.6
426Y41.2Very low39.8Very low177 Ų177142.9 Ų142.969%0.69473%0.733SS**  trans61.6130164.5-53.2-60.3000123.2
427L40.3Very low40.5Very low147 Ų147142.2 Ų142.277%0.7773%0.728SS**  trans42.6156.2134.4-76.687.9000123.1
428L43.3Very low40.9Very low121 Ų121138.8 Ų138.863%0.63472%0.715SS**  cis-177.7142.3-28.1-166.371.5000108.4
429E41.3Very low41Very low179 Ų179139.8 Ų139.884%0.83671%0.712SS**  trans54.3175157.7-79156.3-155.300119.3
430G40.3Very low41Very low72 Ų72137.8 Ų137.874%0.74270%0.701SS**  trans149.44.1160.600000120.8
431D39.9Very low40.7Very low137 Ų137140.1 Ų140.173%0.73371%0.709SS**  trans16.1144.5139.7-110.237.2000121.8
432N43.8Very low40.9Very low123 Ų123133.9 Ų133.966%0.65869%0.694SS**  trans73.5153146.3-61.9-33000118.8
433N38.3Very low41.1Very low128 Ų128131 Ų13168%0.68469%0.69SS**  cis-162.9-162.2-18.4-118.5-38.5000109.4
434L41.9Very low41.2Very low148 Ų148136.6 Ų136.678%0.77570%0.699SS**  trans86.3137.6165.4-46.7170.2000114.2
435N39.6Very low41.4Very low119 Ų119136 Ų13664%0.63670%0.696SS**  cis-160.9144.1-3-124-4.3000113.7
436I40.4Very low41.7Very low132 Ų132137.5 Ų137.568%0.67770%0.701SS**  trans56.2140.2131.8-74.6174.5000121.5
437I45.8Very low41.7Very low127 Ų127136.8 Ų136.865%0.65170%0.703SS**  cis-170.9148.1-23.8-148172.2000110.8
438N46Very low41.7Very low114 Ų114135.8 Ų135.861%0.6170%0.703SS**  trans58.1171.1154.9-75.3-21.4000120.3N440N438-N440 PolarHBondContact OD1-ND2 3.3Å
439N40.9Very low41.6Very low130 Ų130137.9 Ų137.970%0.69571%0.71SS**  cis-131.5130.3-2.8-103-35.1000107.6
440N43.8Very low41.5Very low100 Ų100134.1 Ų134.154%0.53570%0.703SS.*  79.8114.367.2-78.3-41.5000116.2N438N438-N440 PolarHBondContact OD1-ND2 3.3Å
441N39.2Very low41.4Very low142 Ų142136.9 Ų136.976%0.75970%0.701SS**  151.4128.9122-79.3-49.8000110.6
442N40.7Very low41.5Very low120 Ų120137.7 Ų137.764%0.64270%0.704SS**  cis106.2103.232.5-87.5-43.3000112.1
443Q42.3Very low41Very low166 Ų166137.4 Ų137.478%0.77671%0.712SS**  -177.3125.7129.8-97.1156.594.300109.6
444R39.3Very low41Very low211 Ų211142 Ų14280%0.79672%0.719SS**  62.4137.787.9-64.4-172.6-168171.40.3113.9
445N41.4Very low40.9Very low128 Ų128143.6 Ų143.668%0.68472%0.72SS**  cis-171.3149.3-10.7-110.1-6.4000110.9
446K45.4Very low40.7Very low167 Ų167144.6 Ų144.673%0.72673%0.726SS**  trans66.1158.6148.8-68.2-174.6170.3-164.60122.5
447E41.4Very low40.6Very low161 Ų161147.8 Ų147.875%0.75274%0.738SS**  trans69.4141.1156-74.1147.7-131.100118.1
448V40.3Very low40Very low127 Ų127150.8 Ų150.877%0.7775%0.749SS**  cis-149.5-177.2-6.898.40000112.8
449E41.4Very low39.7Very low164 Ų164155.2 Ų155.277%0.76676%0.763SS**  trans-79168.8-156.5-56151.611600119.1
450S40.2Very low39.2Very low100 Ų100154.3 Ų154.370%0.69977%0.767SS**  trans74.9134.5155.180.70000117.6
451N37.5Very low38.8Very low131 Ų131156.1 Ų156.170%0.70178%0.781SS**  cis-147.5148.531-79.9-81.2000114.7
452I42.2Very low38.6Very low154 Ų154158.9 Ų158.979%0.7979%0.786SS**  trans23.1125.3135.2-53.6166.3000116.6
453S33.8Very low38.4Very low117 Ų117158.7 Ų158.782%0.81879%0.794SS**  cis-138174.535.6-159.30000115
454R38.7Very low37.8Very low224 Ų224158.5 Ų158.585%0.84580%0.798SS**  trans-99.8145-161.7-70177.7177157.3-0.2115
455F38.9Very low37.6Very low182 Ų182155 Ų15580%0.79880%0.801SS**  trans36.5125.6131.6-74.8-112.8000119
456N35.5Very low37.1Very low140 Ų140156.6 Ų156.675%0.74981%0.808SS**  55.6106.370.9-72.9-16.9000114.2
457E37.6Very low36.7Very low198 Ų198156.4 Ų156.493%0.92581%0.813SS**  -162.1139.8105.5-106.2-172.2165.100111.3
458Q34.6Very low36.2Very low190 Ų190154 Ų15489%0.88881%0.814SS**  trans-101.3118.9171.5-72.5-176.8-7.400110
459K38.3Very low35.9Very low208 Ų208153 Ų15390%0.90481%0.813SS**  trans-167128.4150.4-107.4146.9-169.91710113
460S31.9Very low35.5Very low111 Ų111153 Ų15378%0.77682%0.818SS**  trans36.5111.9147.5175.10000119.6
461V35.3Very low35.5Very low137 Ų137155.2 Ų155.283%0.8382%0.821SS**  -159157.1115.3132.60000110.3
462K33.8Very low35.5Very low200 Ų200159 Ų15987%0.8783%0.831SS**  trans-81.6134.4-179.3-51.9163.1-177.2172.20111.5
463S37.1Very low35.3Very low117 Ų117159.4 Ų159.482%0.81883%0.834SS**  trans-169.8153.9136.852.80000111.4
464N30.5Very low35.1Very low161 Ų161159 Ų15986%0.86183%0.831SS**  trans-84.6146.9177.2-52-42.5000110.6
465V33.4Very low35.1Very low139 Ų139154.1 Ų154.184%0.84283%0.829SS**  trans-165.3141.9134.5134.10000109.6
466L31.7Very low35Very low161 Ų161154.3 Ų154.384%0.84383%0.832SS**  trans-88.9132.5179.3-70.9159.1000111.2
467I36.8Very low34.9Very low163 Ų163156.9 Ų156.984%0.83684%0.836SS**  trans-133.9125150.5-59.1-177.5000107.4
468S30Very low34.9Very low110 Ų110153.1 Ų153.177%0.76983%0.829SS**  trans-105.4140.3-178.646.80000111.8
469S35.6Very low34.6Very low107 Ų107151.1 Ų151.175%0.74883%0.83SS**  trans-134.5120.8170.8500000109.8I471S469-I471 PolarHBondContact O-N 3.45Å
470N32.9Very low34.5Very low163 Ų163145 Ų14587%0.87282%0.818SS**  trans-81.1118.2-177.2-69.2-56.5000110.7
471I40.5Very low34.8Very low147 Ų147147.9 Ų147.975%0.75482%0.819SS**  trans-114.6115.9163-59.9-179.2000107.7S469 L473S469-I471 PolarHBondContact O-N 3.45Å; I471-L473 PolarHBondContact O-N 3Å
472K36.6Very low34.6Very low209 Ų209149.7 Ų149.791%0.90982%0.818SS**  trans-71.3107.3175.9-74.9-179.8174.4179.20109.6
473L37.3Very low34.7Very low163 Ų163149.3 Ų149.385%0.85382%0.819SS**  trans-85.6138161.2-76.4166.7000109.6I471I471-L473 PolarHBondContact O-N 3Å
474S30.8Very low34.5Very low108 Ų108150.6 Ų150.676%0.75582%0.816SS**  trans-78.3142.4-176.7-168.30000111.4Q476S474-Q476 PolarHBondContact O-N 3Å
475P39Very low35.2Very low123 Ų123148.8 Ų148.880%0.79981%0.81SS**  trans-66.398.4174.7-19.532.8000111.8K477P475-K477 PolarHBondContact O-N 2.94Å
476Q35.9Very low35.8Very low185 Ų185145.7 Ų145.786%0.86479%0.789SS**PPolyproline II helixtrans-74.7120.9171.9-165.6168.38.300109S474 P478S474-Q476 PolarHBondContact O-N 3Å; Q476-P478 VanDerWaalsContact O-CD 3.29Å; Q476-P478 WeakPolarHBondContact O-CD 3.49Å
477K32.5Very low36.9Very low195 Ų195142.7 Ų142.785%0.84878%0.777SS**PPolyproline II helixtrans-62.6120.2-171.7-67.6-178.4177.8-178.40112.2P475P475-K477 PolarHBondContact O-N 2.94Å
478P39.1Very low38.1Very low118 Ų118140.3 Ų140.377%0.76677%0.766SS**PPolyproline II helixtrans-79.6142.6161.233.3-31.6000110.1Q476Q476-P478 VanDerWaalsContact O-CD 3.29Å; Q476-P478 WeakPolarHBondContact O-CD 3.49Å
479V27.9Very low40.1Very low149 Ų149141 Ų14190%0.90376%0.757SS**  trans-102.3108.5168.3176.10000107.6
480A36.2Very low41.7Very low79 Ų79139.2 Ų139.265%0.65375%0.749SS**  trans-150.8107.8175.100000107.1
481E37.1Very low43.6Very low171 Ų171137.5 Ų137.580%0.79974%0.736SS**  98.199.380.2-85.6178.7166.900112.8Q483E481-Q483 PolarHBondContact O-N 3Å
482Q31.5Very low45.4Very low175 Ų175135.3 Ų135.382%0.81873%0.725SS**  trans57.549.8147.7-51.5-170.929.800119.3I484Q482-I484 PolarHBondContact O-N 3.29Å
483Q35.7Very low47.3Very low192 Ų192128 Ų12890%0.89770%0.703SS**  trans-74.366.8151.3-75.3-166-1.800111.6E481E481-Q483 PolarHBondContact O-N 3Å
484I34.7Very low49.2Very low145 Ų145127.9 Ų127.974%0.74469%0.693SS**  trans-100.369.4161.8-51.9-178.3000107.3Q482 N486Q482-I484 PolarHBondContact O-N 3.29Å; I484-N486 PolarHBondContact O-N 3.07Å; I484-N486 VanDerWaalsContact O-N 3.13Å
485V43.5Very low51.5Low122 Ų122125.1 Ų125.174%0.73967%0.668SS**  trans-66.5113.8168.7177.60000106.9V487V485-V487 PolarHBondContact O-N 3.36Å
486N47.3Very low53.3Low74 Ų74124.4 Ų124.440%0.39665%0.654SS.*  trans-71.187.3-165.9-163.611.5000110.8I484 N488 E489I484-N486 PolarHBondContact O-N 3.07Å; I484-N486 VanDerWaalsContact O-N 3.13Å; N486-N488 PolarHBondContact O-N 3.32Å; N486-N488 VanDerWaalsContact O-N 3.15Å; N486-E489 HydrophobicContact CB-CB 3.91Å; N486-E489 PolarHBondContact ND2-OE2 3.06Å; N486-E489 VanDerWaalsContact O-CB 3.29Å; N486-E489 WeakPolarHBondContact O-CB 3.41Å; N486-E489 PolarHBondContact O-N 3.07Å
487V54Low55.2Low98 Ų98121.7 Ų121.759%0.59464%0.641SS**Hα-helixtrans-52.6-38.7179.6-179.70000110.8V485 E489 A490 E491V485-V487 PolarHBondContact O-N 3.36Å; V487-E489 PolarHBondContact O-N 2.92Å; V487-A490 PolarHBondContact O-N 3.3Å; V487-E491 PolarHBondContact O-N 3.06Å
488N61.9Low57.4Low114 Ų114118.5 Ų118.561%0.6163%0.627SS**Hα-helixtrans-55.6-32.3174.7-58.5-25.3000113.2N486 L492N486-N488 PolarHBondContact O-N 3.32Å; N486-N488 VanDerWaalsContact O-N 3.15Å; N488-L492 VanDerWaalsContact O-CB 3.29Å; N488-L492 WeakPolarHBondContact O-CB 3.33Å; N488-L492 PolarHBondContact O-N 3.29Å
489E72.3Confident58.8Low124 Ų124121 Ų12158%0.57962%0.621SS**Hα-helixtrans-77.1-37.2-177.4-169.3172.2163.600112.3N486 V487 E491 L492 A493N486-E489 HydrophobicContact CB-CB 3.91Å; N486-E489 PolarHBondContact ND2-OE2 3.06Å; N486-E489 VanDerWaalsContact O-CB 3.29Å; N486-E489 WeakPolarHBondContact O-CB 3.41Å; N486-E489 PolarHBondContact O-N 3.07Å; V487-E489 PolarHBondContact O-N 2.92Å; E489-E491 VanDerWaalsContact C-N 3.34Å; E489-L492 PolarHBondContact O-N 2.82Å; E489-A493 WeakPolarHBondContact O-CB 3.27Å; E489-A493 PolarHBondContact O-N 3.19Å
490A69.3Low60.4Low70 Ų70121 Ų12158%0.57961%0.613SS**Hα-helixtrans-64.9-40.1171.400000111.2V487 Y494V487-A490 PolarHBondContact O-N 3.3Å; A490-Y494 WeakPolarHBondContact O-CB 3.44Å; A490-Y494 PolarHBondContact O-N 3.15Å
491E73.4Confident61.2Low127 Ų127122.5 Ų122.559%0.59361%0.61SS**Hα-helixtrans-68.1-38.8172.3-66.4-166163.900112.3V487 E489 A493 Y494 E495V487-E491 PolarHBondContact O-N 3.06Å; E489-E491 VanDerWaalsContact C-N 3.34Å; E491-A493 PolarHBondContact O-N 3.39Å; E491-Y494 PolarHBondContact O-N 2.86Å; E491-E495 PolarHBondContact O-N 3.03Å
492L76.9Confident61.5Low100 Ų100118.9 Ų118.952%0.52460%0.602SS.*Hα-helixtrans-62.1-43.5175.2-144.384.1000110.9N488 E489 E495 Q496N488-L492 VanDerWaalsContact O-CB 3.29Å; N488-L492 WeakPolarHBondContact O-CB 3.33Å; N488-L492 PolarHBondContact O-N 3.29Å; E489-L492 PolarHBondContact O-N 2.82Å; L492-E495 PolarHBondContact O-N 3.04Å; L492-Q496 VanDerWaalsContact O-CB 3.24Å; L492-Q496 WeakPolarHBondContact O-CB 3.37Å; L492-Q496 VanDerWaalsContact O-CG 3.26Å; L492-Q496 WeakPolarHBondContact O-CG 3.29Å; L492-Q496 PolarHBondContact O-N 3.34Å
493A76.7Confident61.9Low55 Ų55120.1 Ų120.146%0.45560%0.599SS.*Hα-helixtrans-64.6-39.1176.900000111.9E489 E491 Q496 H497E489-A493 WeakPolarHBondContact O-CB 3.27Å; E489-A493 PolarHBondContact O-N 3.19Å; E491-A493 PolarHBondContact O-N 3.39Å; A493-Q496 PolarHBondContact O-N 3.27Å; A493-H497 WeakPolarHBondContact O-CB 3.49Å; A493-H497 PolarHBondContact O-N 3.4Å
494Y78.4Confident62.2Low161 Ų161120.4 Ų120.463%0.63160%0.6SS**Hα-helixtrans-65.5-47.7174.9-178.9-99.1000112.4A490 E491 H497 K498A490-Y494 WeakPolarHBondContact O-CB 3.44Å; A490-Y494 PolarHBondContact O-N 3.15Å; E491-Y494 PolarHBondContact O-N 2.86Å; Y494-H497 PolarHBondContact O-N 3.21Å; Y494-K498 WeakPolarHBondContact O-CB 3.33Å; Y494-K498 PolarHBondContact O-N 3.5Å
495E79Confident62.7Low51 Ų51123.1 Ų123.124%0.23861%0.606CS.*Hα-helixtrans-67.3-33.7174.7-84.3-65.7135.100112.6E491 L492 K498 R499E491-E495 PolarHBondContact O-N 3.03Å; L492-E495 PolarHBondContact O-N 3.04Å; E495-K498 PolarHBondContact O-N 3.39Å; E495-K498 VanDerWaalsContact OE1-CD 3.31Å; E495-K498 WeakPolarHBondContact OE1-CD 3.34Å; E495-K498 WeakPolarHBondContact OE1-CE 3.48Å; E495-K498 IonicContact OE1-NZ 2.65Å; E495-K498 PolarHBondContact OE1-NZ 3Å; E495-K498 IonicContact OE2-NZ 2.85Å; E495-R499 WeakPolarHBondContact O-CB 3.21Å; E495-R499 WeakPolarHBondContact O-CD 3.37Å; E495-R499 WeakPolarHBondContact O-CG 3.49Å; E495-R499 PolarHBondContact O-N 3.28Å; E495-R499 IonicContact OE2-CZ 3.4Å; E495-R499 IonicContact OE2-NE 3.44Å; E495-R499 PolarHBondContact OE2-NE 3.42Å; E495-R499 IonicContact OE2-NH2 2.77Å; E495-R499 PolarHBondContact OE2-NH2 3.07Å
496Q76.3Confident62.5Low107 Ų107122.7 Ų122.750%0.561%0.605SS.*Hα-helixtrans-63.4-49.9170.3-81.4-17311.700110.6L492 A493 K498 R499 M500L492-Q496 VanDerWaalsContact O-CB 3.24Å; L492-Q496 WeakPolarHBondContact O-CB 3.37Å; L492-Q496 VanDerWaalsContact O-CG 3.26Å; L492-Q496 WeakPolarHBondContact O-CG 3.29Å; L492-Q496 PolarHBondContact O-N 3.34Å; A493-Q496 PolarHBondContact O-N 3.27Å; Q496-K498 PolarHBondContact O-N 3.25Å; Q496-R499 CarbonylContact O-C 3.56Å; Q496-R499 PolarHBondContact O-N 2.95Å; Q496-M500 WeakPolarHBondContact O-CB 3.48Å; Q496-M500 WeakPolarHBondContact O-CG 3.46Å; Q496-M500 PolarHBondContact O-N 2.99Å
497H75.5Confident61.9Low129 Ų129126.4 Ų126.460%0.59762%0.624SS**Hα-helixtrans-58.8-35.1177.3-178.8-107.5000112.6A493 Y494A493-H497 WeakPolarHBondContact O-CB 3.49Å; A493-H497 PolarHBondContact O-N 3.4Å; Y494-H497 PolarHBondContact O-N 3.21Å
498K78Confident61.2Low128 Ų128132.2 Ų132.256%0.55764%0.635SS**Hα-helixtrans-69.3-32.7174.2179.9179.6164.2-1660113.4Y494 E495 Q496Y494-K498 WeakPolarHBondContact O-CB 3.33Å; Y494-K498 PolarHBondContact O-N 3.5Å; E495-K498 PolarHBondContact O-N 3.39Å; E495-K498 VanDerWaalsContact OE1-CD 3.31Å; E495-K498 WeakPolarHBondContact OE1-CD 3.34Å; E495-K498 WeakPolarHBondContact OE1-CE 3.48Å; E495-K498 IonicContact OE1-NZ 2.65Å; E495-K498 PolarHBondContact OE1-NZ 3Å; E495-K498 IonicContact OE2-NZ 2.85Å; Q496-K498 PolarHBondContact O-N 3.25Å
499R68.5Low59.9Low170 Ų170132 Ų13264%0.64264%0.642SS**Hα-helixtrans-83.5-35.5174.9-68.7164.3-164.8158.68.4112.5E495 Q496 N501E495-R499 WeakPolarHBondContact O-CB 3.21Å; E495-R499 WeakPolarHBondContact O-CD 3.37Å; E495-R499 WeakPolarHBondContact O-CG 3.49Å; E495-R499 PolarHBondContact O-N 3.28Å; E495-R499 IonicContact OE2-CZ 3.4Å; E495-R499 IonicContact OE2-NE 3.44Å; E495-R499 PolarHBondContact OE2-NE 3.42Å; E495-R499 IonicContact OE2-NH2 2.77Å; E495-R499 PolarHBondContact OE2-NH2 3.07Å; Q496-R499 CarbonylContact O-C 3.56Å; Q496-R499 PolarHBondContact O-N 2.95Å; R499-N501 PolarHBondContact O-N 2.87Å; R499-N501 VanDerWaalsContact O-N 3.08Å
500M61.7Low58.3Low150 Ų150133.3 Ų133.374%0.73965%0.653SS**SBendtrans-7520.2175.4-68.6-84.2-78.700113Q496 P502Q496-M500 WeakPolarHBondContact O-CB 3.48Å; Q496-M500 WeakPolarHBondContact O-CG 3.46Å; Q496-M500 PolarHBondContact O-N 2.99Å; M500-P502 WeakPolarHBondContact O-CD 3.39Å
501N52.9Low56.9Low110 Ų110139 Ų13959%0.58867%0.668SS**  trans-11055.2176.5-141.2-66.2000113.1R499 R503R499-N501 PolarHBondContact O-N 2.87Å; R499-N501 VanDerWaalsContact O-N 3.08Å; N501-R503 PolarHBondContact O-N 2.83Å
502P44.3Very low55.2Low95 Ų95142.8 Ų142.862%0.61768%0.682SS**  trans-75124.4178.132.1-34.1000111.9M500M500-P502 WeakPolarHBondContact O-CD 3.39Å
503R38.7Very low53.2Low201 Ų201143 Ų14376%0.75869%0.692SS**  trans7159.1142.4-5216576.6169.75.9118.1N501N501-R503 PolarHBondContact O-N 2.83Å
504Q43.5Very low51.2Low198 Ų198145.2 Ų145.293%0.92570%0.702SS**  trans-98.329.1147.4-72.8-157.1-100113.9
505K44.6Very low49.1Very low201 Ų201141.2 Ų141.287%0.87471%0.709SS**SBendtrans-114.980.4167.8-76.1-177.7179.8169.90111.3
506T38.9Very low47Very low114 Ų114147.3 Ų147.370%0.69974%0.736SS**  trans48.394.2153.3-44.90000117.1R508T506-R508 HydrophobicContact CG2-CB 4.16Å; T506-R508 HydrophobicContact CG2-CG 3.9Å; T506-R508 PolarHBondContact O-N 3.28Å
507L35Very low44.9Very low152 Ų152150 Ų15080%0.79675%0.748SS**  trans-62.999.3152.9-79.6165.2000109.7
508R39.7Very low43.1Very low220 Ų220149.7 Ų149.783%0.8376%0.755SS**  trans-134.487.6159.4-84.4-167.4172.9-164.1-2.9109.8T506 N510T506-R508 HydrophobicContact CG2-CB 4.16Å; T506-R508 HydrophobicContact CG2-CG 3.9Å; T506-R508 PolarHBondContact O-N 3.28Å; R508-N510 PolarHBondContact O-N 3Å; R508-N510 VanDerWaalsContact O-N 3.1Å
509S33.6Very low41Very low110 Ų110151.1 Ų151.177%0.76976%0.764SS**  trans-7488.9175.251.60000111.1
510N39.5Very low39.7Very low150 Ų150150.1 Ų150.180%0.80277%0.771SS**  trans-87.6102158.9-76.311.6000107.8R508 K512R508-N510 PolarHBondContact O-N 3Å; R508-N510 VanDerWaalsContact O-N 3.1Å; N510-K512 PolarHBondContact O-N 3Å
511Q40.3Very low38.4Very low191 Ų191153.3 Ų153.389%0.89378%0.776SS**  trans-60.3122.2172.6-71.3174-46.400109.4S513Q511-S513 PolarHBondContact O-N 2.86Å
512K36.9Very low37.7Very low205 Ų205152.7 Ų152.789%0.89178%0.779SS**  trans-80.7107.8159.9-71.9-174175.8-175.30107.5N510N510-K512 PolarHBondContact O-N 3Å
513S35.7Very low37.5Very low104 Ų104157.8 Ų157.873%0.72779%0.794SS**  trans-69.1149.115750.10000109.4Q511 G515Q511-S513 PolarHBondContact O-N 2.86Å; S513-G515 PolarHBondContact O-N 3.15Å
514P34.5Very low37.2Very low102 Ų102154 Ų15466%0.66279%0.794SS**  trans-72.9121.9179.7-11.727.8000110.3F516P514-F516 HydrophobicContact CB-CD2 3.93Å; P514-F516 HydrophobicContact CB-CE2 3.8Å; P514-F516 HydrophobicContact CG-CE2 4.3Å; P514-F516 PolarHBondContact O-N 2.88Å
515G34.7Very low36.9Very low77 Ų77149.9 Ų149.979%0.79479%0.786SS**  trans-79.891.3163.100000108.6S513S513-G515 PolarHBondContact O-N 3.15Å
516F34.7Very low36.2Very low179 Ų179149.4 Ų149.479%0.78579%0.785SS**  trans-66.4139.6169.9-84.6-91.2000109.9P514P514-F516 HydrophobicContact CB-CD2 3.93Å; P514-F516 HydrophobicContact CB-CE2 3.8Å; P514-F516 HydrophobicContact CG-CE2 4.3Å; P514-F516 PolarHBondContact O-N 2.88Å
517H32.1Very low36.1Very low165 Ų165151 Ų15176%0.76479%0.794SS**  trans-69.5141.9161.3-85.8-125.1000109.1
518T38.2Very low36Very low121 Ų121146.3 Ų146.374%0.74278%0.783SS**  trans-131.3121153.6-550000105.9
519E34Very low35.7Very low159 Ų159143.2 Ų143.274%0.74378%0.783SS**  trans-93.4128.3175.4-59.8-179.7150.200108.4
520D40.7Very low35.8Very low148 Ų148148 Ų14879%0.79179%0.786SS**  trans-148.777.4164-88-51.8000106.1
521Y34.1Very low35.8Very low217 Ų217146.2 Ų146.285%0.85178%0.781SS**  76.9130.3101.4-124.7-101.8000114.6
522P37.8Very low35.8Very low98 Ų98146.4 Ų146.464%0.63678%0.775SS**  trans-90.7157.9-166.336.1-36.6000113.5
523Q39.4Very low36.2Very low201 Ų201143.4 Ų143.494%0.93976%0.764SS**  trans-124.6115.9162.5-130.61754.600111.4
524T32.6Very low36.6Very low123 Ų123144.3 Ų144.376%0.75576%0.761SS**  trans-106.9125.3-177.550.70000111.2
525S37Very low37.1Very low110 Ų110147 Ų14777%0.76976%0.764SS**  trans176.8121.1149.348.10000108.1
526F31.7Very low37.6Very low191 Ų191147.6 Ų147.684%0.83875%0.754SS**  68.6135.362.4-87.8-82.3000115.1
527T37Very low38.1Very low147 Ų147148.6 Ų148.690%0.90276%0.758SS**  trans64.8149.3-179.968.10000115.5
528G31.8Very low38.5Very low55 Ų55145.6 Ų145.657%0.56775%0.753SS**  cis167.1126.4-9.200000112.7
529D32.8Very low38.6Very low155 Ų155149 Ų14983%0.82976%0.758SS**  trans60.2167.5159.8-53.1-35.7000121.3
530Y36.4Very low38.8Very low210 Ų210146.8 Ų146.882%0.82476%0.755SS**  trans113.361.2168.4-62.1-69.7000120.5
531T39.1Very low38.7Very low113 Ų113145.1 Ų145.169%0.69375%0.754SS**  60.299.1101.3-52.30000120.5
532Y41.4Very low39.2Very low195 Ų195139.8 Ų139.877%0.76574%0.744SS**  88.1171.5119.9-130.6-92.6000122.3
533E44.2Very low39.3Very low141 Ų141141.1 Ų141.166%0.65975%0.746SS**  trans68.6139179.6-37-62.8147.300115.1
534N44.5Very low39.5Very low124 Ų124138.5 Ų138.566%0.66373%0.734SS**  cis-165174.3-14.5-108.5-19.1000108.4
535E44.3Very low39.9Very low159 Ų159137.2 Ų137.274%0.74373%0.725SS**  cis-152.8175.55.3-124.3-128.8128.200109.1
536P46.9Very low40.3Very low89 Ų89140.9 Ų140.958%0.57873%0.728SS**  trans-111.6-178.7-166.742.2-34.4000116.1
537K43.5Very low40.9Very low200 Ų200136.5 Ų136.587%0.8772%0.719SS**  trans-163.8124.8146-112.2149.8-169.3159.60114.9
538P41.8Very low40.9Very low101 Ų101137.9 Ų137.966%0.65671%0.714SS**  trans-102.2176.6168.440-33.9000112.4
539F40.4Very low41.3Very low192 Ų192144.4 Ų144.484%0.84273%0.727SS**  -177.2-177.1126.7-109-74.3000112.7
540T37.7Very low41.6Very low113 Ų113144.5 Ų144.569%0.69373%0.727SS**  trans-133.9155.7-152.753.70000115.7
541C38.4Very low41.7Very low114 Ų114143.9 Ų143.977%0.7773%0.729SS**  trans-155.3119.5136.8-97.90000107.7
542T44.3Very low41.9Very low105 Ų105144.1 Ų144.164%0.64473%0.732SS**  63146.782.786.10000114.3
543D41.2Very low41.6Very low125 Ų125139 Ų13967%0.66873%0.725SS**  cis-153.6164.924.2-107.3-50000114.6
544E41.9Very low41.3Very low147 Ų147142.3 Ų142.369%0.68773%0.733SS**  trans52.2140.9141.7-67-74.989.900122.2
545V42.3Very low41.1Very low95 Ų95143.1 Ų143.158%0.57674%0.737SS**  cis-153.5139.7-5.4-134.30000113.3
546K44.6Very low41.1Very low187 Ų187140.3 Ų140.381%0.81373%0.732SS**  trans57.8161.1137.7-79166.2-166.4146.20123.6
547P44.4Very low40.6Very low100 Ų100145.4 Ų145.465%0.64975%0.746SS**  trans-141.5-167.9-144.446.6-28000117.4
548H36.8Very low40.3Very low176 Ų176140.4 Ų140.482%0.81574%0.736SS**  trans54.9122.3154-71-62.6000120.9
549K39.9Very low40.1Very low191 Ų191145.2 Ų145.283%0.8375%0.747SS**  -170132.3117.8-105.1165.1-177.3177.20115
550L39.5Very low39.7Very low158 Ų158140.5 Ų140.583%0.82774%0.738SS**  trans58.9123.5142.6-63.4163.1000122.3
551F38.6Very low39.7Very low197 Ų197141.4 Ų141.486%0.86475%0.746SS**  trans-69.5162.3154.8-65.4-89.7000111.2
552P43.2Very low39.8Very low118 Ų118142.1 Ų142.177%0.76675%0.747SS**  -148.7129.18435.5-15.3000118.2
553S34.4Very low39.6Very low87 Ų87143.1 Ų143.161%0.60875%0.747SS**  trans45.2138.5131.473.40000125.7
554Y38.9Very low39.4Very low211 Ų211147.8 Ų147.883%0.82776%0.755SS**  trans67.4150.1153.2-63.1-56.5000118.9
555N40.9Very low39.2Very low141 Ų141147.6 Ų147.675%0.75476%0.759SS**  cis-141.8-177.5-0.6-126.4-7.6000109.8
556P44.2Very low38.9Very low99 Ų99147.6 Ų147.664%0.64376%0.763SS**  trans-116.1169.3-149.743.3-34.3000115.5
557K36.6Very low38.4Very low196 Ų196150.6 Ų150.685%0.85277%0.769SS**  177.7152.8128.6-96.1155-174178.10113.5
558S36.7Very low38.1Very low96 Ų96154.5 Ų154.567%0.67178%0.779SS**  trans69.8123.8152.665.70000122.1
559F37.2Very low38Very low201 Ų201155.6 Ų155.688%0.88278%0.781SS**  trans56.3134.8147.5-59.5-56.2000119.9
560S32.1Very low37.9Very low94 Ų94154.6 Ų154.666%0.65778%0.782SS**  cis-154.81613.5-82.50000111
561P38.6Very low37.7Very low131 Ų131153.9 Ų153.985%0.85178%0.779SS**  trans-83.4153.3175.633.8-34.8000114
562T40Very low37.7Very low130 Ų130151.2 Ų151.280%0.79878%0.778SS**  trans-109139-165.1-59.80000115.1
563I40.4Very low37.3Very low126 Ų126149.8 Ų149.865%0.64677%0.771SS**  trans-19.6124.8154-67.7169.2000116.9
564R37.1Very low37.4Very low223 Ų223153.3 Ų153.384%0.84278%0.784SS**  trans59.8161.7148.3-58.8171.5-172.8153.2-0.3116.7
565N36.5Very low37.3Very low143 Ų143154 Ų15477%0.76579%0.785SS**  cis-155.6-17420.7-147.7-6.1000113.5
566S36.7Very low37.2Very low95 Ų95154.5 Ų154.566%0.66478%0.784SS**  trans60.687.8154.952.60000120.3
567R33.1Very low36.9Very low249 Ų249161.4 Ų161.494%0.9480%0.797SS**  52.688.1105.5-167.8-159.5-152-178.18.3117.8
568E39Very low36.9Very low182 Ų182159.5 Ų159.585%0.8579%0.793SS**  trans-143.1159.3146.9-154.9156.2-129.500112.2
569K35.6Very low37.1Very low200 Ų200163.5 Ų163.587%0.8780%0.804SS**  trans-94.8120-176.2-62.4174-176.8171.60109.8
570M37.5Very low36.9Very low170 Ų170159.5 Ų159.584%0.83780%0.8SS**  trans-145.3155.6164.3-124.6168.2-83.100113.2
571N33.8Very low37.5Very low143 Ų143162.9 Ų162.977%0.76581%0.808SS**  trans-95.5121.6-161.9-177.512000111.3
572T39.4Very low37.9Very low140 Ų140163.7 Ų163.786%0.85980%0.8SS**  trans-112.460.8-175.945.40000113.2
573S34.6Very low38.1Very low88 Ų88166.8 Ų166.862%0.61581%0.806SS**  trans-82.1144.3147.3-62.90000109.2
574N37.1Very low38.3Very low162 Ų162167 Ų16787%0.86681%0.808SS**  trans62.985.7168.1-55.4-18.2000118.5
575R36.7Very low38.8Very low226 Ų226165.8 Ų165.885%0.85381%0.812SS**  trans-158.7112.2138.1-140.8164.2-178.4169.20.7113.8
576M39.6Very low39.3Very low151 Ų151165.3 Ų165.374%0.74481%0.81SS**  trans52.3125.3157.5-52.8178.8-42.100117.4
577R37.6Very low40Very low244 Ų244168.6 Ų168.692%0.92182%0.82SS**  cis58.969.528.1-157.6-172.6-173.2-172.62.4114.4
578M35.4Very low40.8Very low156 Ų156164.2 Ų164.277%0.76882%0.815SS**  trans-149.5167.5154.1-77-55.2-76.300108.7
579M40.6Very low41.3Very low180 Ų180159.6 Ų159.689%0.88781%0.808SS**  trans69.289.1176.7-48.7-48.6-160.800116.1
580S34.4Very low41.8Very low116 Ų116157 Ų15781%0.81180%0.804SS**  trans-143.892.7162.457.30000109.3
581M45.1Very low42.4Very low166 Ų166156 Ų15682%0.81880%0.802SS**  trans-160.9154.5172.1-78.5-166.75.900106
582E45.1Very low43Very low147 Ų147156.1 Ų156.169%0.68780%0.802SS**  cis-178.3138-14.9173.1168.9-107.800105.4
583E44.1Very low43.1Very low195 Ų195155.6 Ų155.691%0.91179%0.794SS**  trans-177.4148.8157.3-107.9160-150.600109.1
584N44.7Very low43.4Very low131 Ų131158.4 Ų158.470%0.70180%0.802SS**  trans-108.6164.9-163.7-46.9-44.3000111.7
585E47.7Very low43.4Very low197 Ų197156.2 Ų156.292%0.92179%0.791SS**  trans-156.2141.5130.6-111.9163.4-152.700108.1
586D47.9Very low43.6Very low134 Ų134152.6 Ų152.672%0.71779%0.788SS**  trans-89.7164.1-167-50.4-86.2000112.4
587D51.8Low43.4Very low163 Ų163152.6 Ų152.687%0.87279%0.791SS**  trans-179.6127.9139-97.4-15.3000110.5
588D49.6Very low43.5Very low157 Ų157150.9 Ų150.984%0.8479%0.786SS**  trans-61.8149.6-167.7-54.3-52.6000116.7
589A48.9Very low43.4Very low85 Ų85153.9 Ų153.970%0.70279%0.79SS**  164.7117.6111.800000114.4
590D47.3Very low43.1Very low146 Ų146152.5 Ų152.578%0.78179%0.785SS**  trans6590.3131.4-50.9-8.2000121.6
591D48.4Very low43.3Very low149 Ų149154.3 Ų154.380%0.79778%0.781SS**  94.9157110.8-92.1-19.7000126
592D46.9Very low42.7Very low146 Ų146155 Ų15578%0.78178%0.782SS**  trans62.148.9161.3-73.1-11.5000120.1N594D592-N594 PolarHBondContact O-N 3.19Å
593N41Very low42.4Very low129 Ų129154.8 Ų154.869%0.6979%0.786SS**  -9.6116.7111.2170.142.7000116.8
594N41.6Very low42Very low146 Ų146153.1 Ų153.178%0.78178%0.783SS**  -153.4153.6126.7-139-34000114.4D592D592-N594 PolarHBondContact O-N 3.19Å
595N36.4Very low41.8Very low117 Ų117152.7 Ų152.763%0.62678%0.781SS**  trans-80157171.9-78.9-86.8000111.6
596N42.1Very low41.4Very low150 Ų150154.8 Ų154.880%0.80278%0.782SS**  -154.5108.8127.2-102.7-46.8000111
597N35.9Very low40.9Very low150 Ų150156.8 Ų156.880%0.80279%0.787SS**  trans-73.5128.3161.3-103.9-33000107.9
598Y37.8Very low40.2Very low208 Ų208152.2 Ų152.282%0.81678%0.779SS**  trans-134.2141.8157.6-107.2-86.3000111.8
599Y33.5Very low39.7Very low219 Ų219153 Ų15386%0.85978%0.777SS**  trans-63.7-179.6166.9-101.9-118.4000111.3
600I34.7Very low38.9Very low151 Ų151156.8 Ų156.877%0.77479%0.785SS**  trans109.9131.4170.3-63160.1000112
601Q39Very low38.5Very low155 Ų155154.7 Ų154.772%0.72478%0.778SS**  cis-162.8153.5-22.4-174.5162.2-4.700107.6
602E31.3Very low37.7Very low179 Ų179156.9 Ų156.984%0.83678%0.777SS**  trans-61.6134.5172.6-65.1168.2153.200110.5
603N39.7Very low37Very low143 Ų143158.2 Ų158.277%0.76578%0.778SS**  trans-141.471.2177.4-97.5-57.8000110.2N605N603-N605 PolarHBondContact O-N 3.37Å; N603-N605 VanDerWaalsContact O-N 3.16Å
604D36Very low36.6Very low160 Ų160159.4 Ų159.486%0.85678%0.784SS**  trans-66.2105.6165-79.6-44.1000109.8
605N40.1Very low36.2Very low122 Ų122158.2 Ų158.265%0.65278%0.782SS**  trans-156.278.5169.6-123.3-37000113.2N603N603-N605 PolarHBondContact O-N 3.37Å; N603-N605 VanDerWaalsContact O-N 3.16Å
606Y38.5Very low36.2Very low241 Ų241157.7 Ų157.795%0.94579%0.788SS**  trans-139.6107.8149.8-112.1-77.9000111
607Q38.9Very low35.9Very low176 Ų176160.8 Ų160.882%0.82279%0.79SS**  trans-72.7143178-60176.87.200110.7
608G36.7Very low36.1Very low68 Ų68162.2 Ų162.270%0.70180%0.797SS**  trans-175.956.7-178.700000112.4
609Q38.5Very low35.9Very low174 Ų174161.4 Ų161.481%0.81379%0.792SS**  trans-63.8135.9-174.6-66.6-167.44.700112.7
610N33.5Very low36.1Very low163 Ų163162 Ų16287%0.87279%0.793SS**  trans-116.791.1160-93-52.9000108.4
611T37.8Very low36.2Very low103 Ų103159.9 Ų159.963%0.63278%0.783SS**  trans-126.2106.6-178.6-50.60000110.4
612Y30.8Very low36.1Very low194 Ų194158.4 Ų158.476%0.76179%0.79SS**  trans21.6141.5150.6-73.1-91.4000122.7
613H33.4Very low36.4Very low174 Ų174155.4 Ų155.481%0.80679%0.789SS**  trans70.9120.2162.2-50.9-64.2000118.3
614N32.9Very low36.1Very low154 Ų154155.1 Ų155.182%0.82479%0.787SS**  -157164.191.8-143.1-29.4000112.1
615T32.7Very low36.2Very low121 Ų121153.3 Ų153.374%0.74278%0.784SS**  trans-120.6134.5179.950.40000111.3
616S36.5Very low35.9Very low106 Ų106153 Ų15374%0.74179%0.787SS**  trans-160.3110.6164.321.50000114
617Y34.8Very low36Very low215 Ų215149.6 Ų149.684%0.84378%0.783SS**  trans28.4121.3144.4-52.4-78000121.4
618L41Very low35.8Very low181 Ų181145.6 Ų145.695%0.94878%0.775SS**  -143.4162.3112.1-107.3170.7000110
619R33.4Very low36Very low190 Ų190149.5 Ų149.572%0.71778%0.775SS**  trans-145.1131-152.8163.1-168.7172.7-149.26.6112.4N621R619-N621 PolarHBondContact NE-OD1 3.49Å
620W39.1Very low36Very low231 Ų231148.8 Ų148.888%0.87577%0.769SS**  trans-157.8117.5132.1-118.5-8.6000115.9
621N36.1Very low36.3Very low108 Ų108152 Ų15258%0.57877%0.771SS**  trans7.6129147.1-44.6-5.2000119.7R619R619-N621 PolarHBondContact NE-OD1 3.49Å
622S35.9Very low36.5Very low123 Ų123152.2 Ų152.286%0.8677%0.773SS**  -161.8138.5104-162.80000112.7
623S38.1Very low36.7Very low116 Ų116153 Ų15381%0.81178%0.777SS**  trans-63.4144.1-166.1-47.10000116.9
624N32.8Very low36.9Very low138 Ų138151 Ų15174%0.73877%0.772SS**  trans-90.5162.4149.8-138.10.4000107.8
625P39.4Very low37.3Very low122 Ų122149.7 Ų149.779%0.79276%0.763SS**  -152.616785.239.9-21.3000117.1
626T34.2Very low37.5Very low114 Ų114148.7 Ų148.770%0.69976%0.762SS**  trans-86.6141.8178.5-39.10000113.2
627I40.5Very low37.7Very low170 Ų170147.8 Ų147.887%0.87276%0.755SS**  trans-130.7149.5153.9-71.1-174.2000109.1
628S34.1Very low38Very low93 Ų93144.2 Ų144.265%0.6576%0.756SS**  trans-124.4144.9-172.6168.90000111.5
629Q40.8Very low38Very low149 Ų149139.9 Ų139.970%0.69674%0.741SS**  -179.5144.6127.2-100.917084.300116.2
630K38.8Very low38.3Very low160 Ų160141.9 Ų141.970%0.69675%0.748SS**  trans60.5100.7141.8-67.9167.4176.4159.60122.3
631Y39.6Very low38.2Very low231 Ų231140.4 Ų140.491%0.90675%0.748SS**  63.7163.1116.3-74.1-51.6000122
632P42.5Very low38.8Very low106 Ų106140 Ų14069%0.68875%0.751SS**  trans-129.1179-146.144-28.8000115.2
633Y34.8Very low38.9Very low211 Ų211143.1 Ų143.183%0.82775%0.745SS**  trans-163.2101.8147.9-125-91.4000114.6I635Y633-I635 HydrophobicContact CD1-CD1 4.45Å
634N38.1Very low39Very low131 Ų131147.1 Ų147.170%0.70174%0.744SS**  57.1156.8119-136.1-5.7000125
635I41.6Very low39.3Very low127 Ų127146 Ų14665%0.65174%0.738SS**  trans67.8113.6161.4-27.7113.4000120.6Y633Y633-I635 HydrophobicContact CD1-CD1 4.45Å
636S36.7Very low39.3Very low101 Ų101146 Ų14671%0.70673%0.731SS**  165.5108.295.9-154.20000118.4
637S39.1Very low39.6Very low87 Ų87144.1 Ų144.161%0.60873%0.728SS**  49.9133.9119.5-290000126
638T42.3Very low39.7Very low140 Ų140145 Ų14586%0.85973%0.731SS**  trans75.3155.2156.376.90000117.7
639S39.9Very low39.9Very low89 Ų89146.1 Ų146.162%0.62274%0.738SS**  cis-160.214825.5-159.20000115.1
640R40.3Very low39.9Very low233 Ų233147.1 Ų147.188%0.87974%0.743SS**  trans64.3118.2153.5-69.8164.3-162.1-138.61122.8
641K36.4Very low39.8Very low199 Ų199145.3 Ų145.387%0.86575%0.745SS**  trans-84.4-153.7148.3-59.2-177.4176.4-177.70108.5
642P49.4Very low39.8Very low99 Ų99139.6 Ų139.664%0.64374%0.735SS**  cis-150.7-174.9-0.746.5-26.5000119.7
643Y38.7Very low39.5Very low189 Ų189139.7 Ų139.774%0.74173%0.733SS**  trans65.4165.2150.8-76.3-58.1000118.2
644Y38.6Very low39.4Very low200 Ų200137.6 Ų137.678%0.78473%0.731SS**  cis-106.7-141.57-132.9-86.5000114.9
645N39.8Very low39.3Very low116 Ų116137.9 Ų137.962%0.6274%0.738SS**  trans-163.5-178.4-147.9-162.454.7000114.4
646D39.1Very low39Very low120 Ų120137.9 Ų137.964%0.64274%0.744SS**  trans80.5155.1159.8-60.6-61000121.1
647A41Very low38.9Very low76 Ų76140.4 Ų140.463%0.62875%0.749SS**  cis-171.3150.2-31.900000112.7
648M41.7Very low38.7Very low188 Ų188143.1 Ų143.193%0.92676%0.756SS**  trans62.6165.2164.9-62.5-170.6178.500117
649S38Very low38.6Very low116 Ų116143.6 Ų143.681%0.81175%0.749SS**  cis-138.5-176.35.1-158.90000113.1
650Q42.1Very low38.6Very low170 Ų170146.2 Ų146.279%0.79476%0.756SS**  trans-98.4164.4-173.5-54173.21400113.2
651V37.1Very low38.4Very low123 Ų123139.9 Ų139.975%0.74574%0.743SS**  157.6101125165.50000113
652T38Very low38.6Very low111 Ų111135 Ų13568%0.68173%0.73SS**  44133.7121.2-24.10000124
653T36.3Very low38.1Very low107 Ų107138 Ų13866%0.65673%0.733SS**  trans77.5113.2145.631.20000123.6
654Q33Very low38.2Very low168 Ų168138.3 Ų138.379%0.78574%0.738SS**  47126.8125.1-60.2175.722.800121.2
655T35.3Very low38.2Very low137 Ų137136.1 Ų136.184%0.8474%0.74SS**  -169.9168.1105.2190000114.7
656T35.3Very low38.3Very low127 Ų127135.8 Ų135.878%0.77974%0.744SS**  trans-44.7153.4-17346.30000121.2
657N34.8Very low38.4Very low153 Ų153137.3 Ų137.382%0.81875%0.751SS**  trans-26.5153.4156.1-43.1-25.2000117.6
658L36.5Very low38.5Very low145 Ų145141.4 Ų141.476%0.75976%0.762SS**  trans-151165.2147.5-149.366.6000112.2
659E38.4Very low38.3Very low150 Ų150136.3 Ų136.370%0.70175%0.745SS**  trans-26.4163.7168.8-7698.7-113.200118.7
660D40.5Very low38.3Very low144 Ų144136.4 Ų136.477%0.7774%0.741SS**  cis-160.4-165.344.9-151.9-18.9000115.5
661T35.7Very low38.2Very low99 Ų99136.8 Ų136.861%0.60774%0.74SS**  trans-118172.3-151.156.20000113.7
662T40.4Very low38.2Very low96 Ų96134.9 Ų134.959%0.58973%0.732SS**  159.7153.811145.20000116.6
663K40.5Very low38.3Very low163 Ų163138.8 Ų138.871%0.70974%0.74SS**  trans87.9106.7146.2-71.6139.1-158.9147.50122.7
664K41Very low38.3Very low195 Ų195138.8 Ų138.885%0.84874%0.744SS**  104.798.8117.2-74.2178.2176.4-1740122.1
665N37.1Very low38.8Very low155 Ų155138 Ų13883%0.82975%0.745SS**  trans-32.7167.7134.8-70.8-18.5000115.2
666P42.7Very low39Very low109 Ų109138.4 Ų138.471%0.70874%0.741SS**  cis-162.817042.646.6-24.2000123.9
667L42Very low39.3Very low152 Ų152138.7 Ų138.780%0.79674%0.743SS**  trans87.9150.8131.2-93.2167.8000124.9
668L41.7Very low39.9Very low161 Ų161137.2 Ų137.284%0.84374%0.742SS**  trans83.6143.3163.3-65.2165.9000120.3
669S37.1Very low39.9Very low82 Ų82140.9 Ų140.957%0.57375%0.745SS**  -179.8137.4-60170.50000112.1
670T40.1Very low40.3Very low118 Ų118143.5 Ų143.572%0.72476%0.755SS**  trans62.7157.4156.2480000118.6
671K39.1Very low40.3Very low177 Ų177143.1 Ų143.177%0.7775%0.753SS**  cis-149.7158.42-130.7155.4-170.9174.90111.4
672S36.8Very low40.5Very low84 Ų84147 Ų14759%0.58776%0.764SS**  trans-73.9165.8171.454.10000114
673F39.9Very low40.5Very low193 Ų193147.3 Ų147.385%0.84677%0.768SS**  -160.6160.6126-80.6-55.6000111.5
674S36.2Very low40.4Very low107 Ų107146 Ų14675%0.74877%0.769SS**  trans-139.2164.3-177.9-49.50000109.9
675L43.1Very low40.3Very low152 Ų152143.8 Ų143.880%0.79677%0.766SS**  171.1157.9123-92.3166.6000115.4
676D40.6Very low40.6Very low144 Ų144141.3 Ų141.377%0.7776%0.761SS**  trans68.6138.5151.3-61.2-29.6000125
677V42.4Very low40.5Very low133 Ų133143 Ų14381%0.80676%0.764SS**  trans-144.2128.3174.8172.80000108.5
678P45.7Very low40.5Very low122 Ų122143 Ų14379%0.79276%0.764SS**  trans-92.4135.7166.5-5.925.3000112.4
679R37Very low40.5Very low223 Ų223141.8 Ų141.884%0.84276%0.763SS**  trans-94.2156.9156-78.9-178.5172.3175.1-2.8109.5
680F47Very low40.6Very low204 Ų204141.6 Ų141.690%0.89578%0.775SS**  trans-152166151.9-113.6-78.5000110.6
681D40.7Very low40.5Very low137 Ų137142 Ų14273%0.73378%0.782SS**  trans-112.7-177.8-148.4-59.2-79.5000117.1
682Q39.1Very low40.4Very low179 Ų179137.7 Ų137.784%0.83679%0.788SS**  trans-57.2173.4165.1-85-173.3-14.800113.2
683P41.5Very low40.3Very low103 Ų103137.2 Ų137.267%0.66980%0.796SS**  cis-158.4-177.337.946.4-23.8000121.4
684N38.7Very low40.3Very low137 Ų137134 Ų13473%0.73380%0.798SS**  trans57.8122.7144.3-66.7-1.2000125
685D38.5Very low40.5Very low148 Ų148134.5 Ų134.579%0.79180%0.801SS**  27.4137.9120-61.50000121.9
686S42.2Very low40.7Very low103 Ų103133.4 Ų133.472%0.7280%0.803SS**  173.8146.692.753.70000118.2
687N40.3Very low40.6Very low143 Ų143130.1 Ų130.177%0.76580%0.804SS**  trans77.6148.2133.4-80.8-22.9000125.5
688L43.6Very low40.6Very low154 Ų154133.8 Ų133.881%0.80680%0.803SS**  trans70.8148.3159.5-56.2140.8000116.7
689T41.8Very low40.4Very low134 Ų134137.1 Ų137.182%0.82280%0.801SS**  cis-164.1163.9-9.712.90000110.4
690G37.1Very low40.7Very low79 Ų79131.2 Ų131.281%0.81479%0.794SS**  trans154.6131159.700000114.7
691S39.1Very low40.5Very low125 Ų125130.2 Ų130.287%0.87479%0.792SS**  trans-147.4140.8-167.860.90000116.7
692G36.2Very low40.3Very low87 Ų87126.6 Ų126.690%0.89779%0.787SS**  trans88.9157.1141.500000118.6
693G35.2Very low40.5Very low74 Ų74127.1 Ų127.176%0.76379%0.787SS**  trans163.252.7173.200000120.3
694S40.6Very low40.6Very low126 Ų126131.9 Ų131.988%0.88179%0.792SS**  trans58.5135.3146.3-53.90000124.1
695S39.5Very low40.6Very low118 Ų118134.8 Ų134.883%0.82580%0.798SS**  trans-103.8-157158.4-41.40000108.8
696P47.9Very low40.4Very low129 Ų129133.2 Ų133.284%0.83880%0.798SS**  cis-137.91790.542.8-23.8000117.5
697G38.3Very low40.2Very low75 Ų75134.2 Ų134.277%0.77381%0.806SS**  trans-141.6170.5168.700000111.6
698R41.6Very low40Very low210 Ų210133 Ų13379%0.79280%0.803SS**  trans-134.8172.2-161.2-73.1-174.3171.6-141.20.6116.4
699Y41.8Very low39.7Very low191 Ų191131 Ų13175%0.74980%0.797SS**  trans84112.4165-59.8-73.3000114.8
700S44.8Very low39.5Very low100 Ų100133.7 Ų133.770%0.69980%0.797SS**  cis98.7139.747.466.10000111.2
701E41.2Very low39.3Very low182 Ų182138 Ų13885%0.8580%0.796SS**  cis-161.5148.4-6.9165.7166.5-164.300108.6
702G36.6Very low39.2Very low61 Ų61139.8 Ų139.863%0.62979%0.79SS**  trans-174.7115.1179.900000114.7R704G702-R704 PolarHBondContact O-N 2.95Å
703F43.3Very low39.2Very low190 Ų190145.8 Ų145.883%0.83379%0.787SS**  trans-4.7103.1168.7-57.5-84.8000117.3
704R44.4Very low39.1Very low204 Ų204149.4 Ų149.477%0.7779%0.788SS**  72.9130.476.2-72.9-177.3-170.2-135.95114.6G702G702-R704 PolarHBondContact O-N 2.95Å
705K38.8Very low39Very low197 Ų197149.4 Ų149.486%0.85779%0.786SS**  cis-177.3131.1-35.9-113.3166.4-175.5177.20107.9
706S34.3Very low38.6Very low115 Ų115149.3 Ų149.380%0.80478%0.78SS**  trans-71.9147.3156.945.30000109.6
707S37.1Very low37.8Very low125 Ų125154.5 Ų154.587%0.87478%0.783SS**  trans-91.1114.8-174.1-157.40000112.8
708V37.4Very low37.7Very low116 Ų116157.6 Ų157.670%0.70379%0.787SS**  trans-66.8164151.8-163.60000106.8
709V36.1Very low37.4Very low114 Ų114152.7 Ų152.769%0.69179%0.785SS**  -167.1163.250-136.10000105.4
710K39.1Very low37.6Very low190 Ų190149.4 Ų149.483%0.82679%0.786SS**  cis-142.8148.829.9-57.8174.9-1741710108.5
711H32.5Very low37Very low168 Ų168149.1 Ų149.178%0.77879%0.785SS**  42.2108.976.4-70.5-71.9000116.3
712Q35.6Very low36.5Very low164 Ų164145.5 Ų145.577%0.76678%0.779SS**  -172.5142.4112.2-102.5179.2-3.500114.4
713Y37.2Very low36.5Very low212 Ų212152 Ų15283%0.83179%0.791SS**  trans50.2132.5158.8-60.7-64.2000125.2
714L33.7Very low36Very low150 Ų150147.2 Ų147.279%0.78578%0.78SS**  trans-61.2164.1161-81.8167.7000112.3
715P37.5Very low35.4Very low127 Ų127143.6 Ų143.683%0.82578%0.784SS**  cis-147.3174.849.742.1-21.2000120.4
716T31.8Very low35.2Very low116 Ų116145.9 Ų145.971%0.71279%0.787SS**  trans-77.5163.4-177-32.60000114.1
717R31.1Very low35.1Very low238 Ų238148.2 Ų148.290%0.89879%0.787SS**  trans77106.6163.6-55179.4176.2-171.8-2.4117.8
718V36.4Very low35Very low140 Ų140149.7 Ų149.785%0.84879%0.785SS**  -145.4139117.8-175.70000108.1
719S35.7Very low35Very low107 Ų107153.5 Ų153.575%0.74880%0.795SS**  trans-116.7123.1165.6-59.20000109.6
720P44.2Very low34.9Very low121 Ų121153.6 Ų153.679%0.78680%0.798SS**  trans-78.5107.4153.830.7-26.3000106.7
721S33.2Very low34.8Very low95 Ų95152.9 Ų152.966%0.66480%0.8SS**  60.9109.761.8-163.60000111.9
722S31Very low34.9Very low105 Ų105150.6 Ų150.673%0.73480%0.798SS**  trans-43.6137170.6480000114.1
723F35.3Very low34.7Very low199 Ų199152.3 Ų152.387%0.87380%0.798SS**  trans-122.793.3159.5-113.2-91.2000111.4
724S34.7Very low34.6Very low88 Ų88147.1 Ų147.162%0.61579%0.789SS**  trans30.6111.3150-53.60000119.7R726S724-R726 PolarHBondContact O-N 3.39Å
725P31.7Very low34.5Very low129 Ų129147 Ų14784%0.83878%0.784SS**  trans-65.6105.3155.129.3-32000108.6M727P725-M727 PolarHBondContact O-N 3.48Å
726R33.1Very low34.4Very low244 Ų244146.3 Ų146.392%0.92178%0.778SS**  trans-78.485.5-175.3-163.7172.1-171.5162.61.4110.9S724 N728S724-R726 PolarHBondContact O-N 3.39Å; R726-N728 PolarHBondContact O-N 3.35Å
727M32.3Very low34.5Very low164 Ų164146.4 Ų146.481%0.80878%0.778SS**  trans-47.7126.8162.5-74.3-85.9-76.300110.3P725P725-M727 PolarHBondContact O-N 3.48Å
728N34.7Very low34.9Very low156 Ų156144.1 Ų144.183%0.83478%0.775SS**  trans165.393.7142.4-86.9-6.3000110.3R726R726-N728 PolarHBondContact O-N 3.35Å
729E38.3Very low34.9Very low196 Ų196144.2 Ų144.292%0.91677%0.77SS**  -165143.5125.2-112174.8-146.900110.7
730P34Very low34.9Very low116 Ų116145.9 Ų145.975%0.75377%0.77SS**  trans-104.4120-171.136-28.6000113.2
731M36.1Very low34.9Very low176 Ų176145.5 Ų145.587%0.86777%0.767SS**  trans-133.188.5163.5-86.4-163.5-75.300113.2Y733M731-Y733 PolarHBondContact O-N 3.14Å
732V36Very low34.9Very low120 Ų120151.5 Ų151.573%0.72778%0.777SS**  trans34.182.2131.9-169.10000115.8T734V732-T734 HydrophobicContact CG1-CG2 3.78Å; V732-T734 PolarHBondContact O-N 3.27Å
733Y30.5Very low35.4Very low199 Ų199152.1 Ų152.178%0.7877%0.772SS**  trans-85.793.6158.8-121.5-85.6000109.2M731 H735M731-Y733 PolarHBondContact O-N 3.14Å; Y733-H735 AromaticContact CD1-CD2 3.82Å; Y733-H735 AromaticContact CD1-CE1 3.69Å; Y733-H735 AromaticContact CD1-NE2 3.32Å; Y733-H735 VanDerWaalsContact CD1-NE2 3.32Å; Y733-H735 WeakPolarHBondContact CD1-NE2 3.37Å; Y733-H735 AromaticContact CE1-CE1 3.89Å; Y733-H735 AromaticContact CE1-NE2 3.83Å; Y733-H735 PolarHBondContact O-N 3.25Å
734T35.5Very low35.7Very low104 Ų104151.7 Ų151.764%0.63877%0.772SS**  trans-74.372.5176.826.50000111.7V732 T736V732-T734 HydrophobicContact CG1-CG2 3.78Å; V732-T734 PolarHBondContact O-N 3.27Å; T734-T736 PolarHBondContact O-N 3.29Å
735H30.8Very low36.2Very low148 Ų148154.2 Ų154.269%0.68577%0.773SS**  trans-71.267.1162.7-72.1-60.2000110.7Y733 T737Y733-H735 AromaticContact CD1-CD2 3.82Å; Y733-H735 AromaticContact CD1-CE1 3.69Å; Y733-H735 AromaticContact CD1-NE2 3.32Å; Y733-H735 VanDerWaalsContact CD1-NE2 3.32Å; Y733-H735 WeakPolarHBondContact CD1-NE2 3.37Å; Y733-H735 AromaticContact CE1-CE1 3.89Å; Y733-H735 AromaticContact CE1-NE2 3.83Å; Y733-H735 PolarHBondContact O-N 3.25Å; H735-T737 VanDerWaalsContact C-N 3.29Å; H735-T737 PolarHBondContact O-N 3.06Å
736T36Very low36.5Very low112 Ų112156.4 Ų156.469%0.68777%0.771SS**  trans-77.583170.450.20000109.9T734 K738T734-T736 PolarHBondContact O-N 3.29Å; T736-K738 PolarHBondContact O-N 3.19Å
737T34Very low36.9Very low118 Ų118151.9 Ų151.972%0.72476%0.764SS**  trans-54.2127.2162.238.40000109.8H735H735-T737 VanDerWaalsContact C-N 3.29Å; H735-T737 PolarHBondContact O-N 3.06Å
738K39.3Very low37.5Very low190 Ų190148.8 Ų148.883%0.82675%0.754SS**  trans-121.579.4170.1-79.5-165174.9-175.50110.7T736T736-K738 PolarHBondContact O-N 3.19Å
739N36.7Very low37.7Very low141 Ų141149.6 Ų149.675%0.75476%0.759SS**  trans3.5112.6146.8-50.6-14.2000115.6
740I36.1Very low37.9Very low143 Ų143145.9 Ų145.973%0.73374%0.744SS**  trans-109.8111146.3-61.8176.6000105.9Y742I740-Y742 HydrophobicContact CG2-CD2 4.29Å
741P43Very low38.2Very low113 Ų113149 Ų14973%0.73475%0.748SS**  trans-77.3124.4164.129.5-26.7000108.9
742Y34.6Very low38.1Very low221 Ų221150.3 Ų150.387%0.86775%0.745SS**  trans-88.4117.1167-106.1-90.7000108.5I740I740-Y742 HydrophobicContact CG2-CD2 4.29Å
743D40.3Very low38.2Very low117 Ų117150 Ų15063%0.62675%0.745SS**  trans-144.267179.9-148.2-16.3000110.6K745D743-K745 VanDerWaalsContact OD1-CE 3.3Å; D743-K745 WeakPolarHBondContact OD1-CE 3.39Å; D743-K745 IonicContact OD1-NZ 3.7Å; D743-K745 PolarHBondContact OD1-NZ 3.34Å
744E41.3Very low38.5Very low190 Ų190147 Ų14789%0.88875%0.747SS**  trans-145.3109.5164.1-109.6175.6176.500105.8
745K45.8Very low38.6Very low142 Ų142150 Ų15062%0.61775%0.754SS**  cis74.669.828.4-66.4-172.7-178.9144.40116.7D743D743-K745 VanDerWaalsContact OD1-CE 3.3Å; D743-K745 WeakPolarHBondContact OD1-CE 3.39Å; D743-K745 IonicContact OD1-NZ 3.7Å; D743-K745 PolarHBondContact OD1-NZ 3.34Å
746H39.1Very low38.8Very low174 Ų174150 Ų15081%0.80676%0.758SS**  trans76.4-178.2139.8-51-70.7000117.7
747I41.2Very low38.8Very low149 Ų149150.3 Ų150.376%0.76476%0.755SS**  trans84.769.8169.3-47.9-178.9000114.9
748T44.8Very low39.2Very low99 Ų99154 Ų15461%0.60777%0.766SS**  trans55.8111.9133.159.70000119.8I750T748-I750 PolarHBondContact O-N 3.06Å
749D38Very low39.2Very low174 Ų174152.9 Ų152.993%0.9376%0.762SS**  trans-56.1117.5138-86.3-53.9000109.1
750I41.8Very low39.5Very low117 Ų117152.9 Ų152.960%0.676%0.762SS**  trans-116.5109.4168.6-55.8-174.4000108.2T748 Y752T748-I750 PolarHBondContact O-N 3.06Å; I750-Y752 HydrophobicContact CG2-CD2 3.7Å; I750-Y752 HydrophobicContact CG2-CE2 3.68Å; I750-Y752 PolarHBondContact O-N 2.65Å
751H40.8Very low39.6Very low183 Ų183150.7 Ų150.785%0.84776%0.759SS**  trans-58.4119.7168.7-110.7-86.5000110.4
752Y34.6Very low39.3Very low203 Ų203155.9 Ų155.980%0.79677%0.765SS**  trans-132.8119.3158.4-93.9-74.5000110.5I750I750-Y752 HydrophobicContact CG2-CD2 3.7Å; I750-Y752 HydrophobicContact CG2-CE2 3.68Å; I750-Y752 PolarHBondContact O-N 2.65Å
753P38.2Very low39.3Very low114 Ų114150.5 Ų150.574%0.7476%0.76SS**  trans-87.3124.6-179.732.9-31.8000111.1
754T36.6Very low39.3Very low134 Ų134154.6 Ų154.682%0.82277%0.773SS**  trans-109.3105.8174.3-48.30000109.8
755Q37.5Very low39.2Very low169 Ų169149 Ų14979%0.7977%0.766SS**  trans-51.1157.4162.3-55.6170.120.100109.2
756I36.3Very low38.9Very low148 Ų148146.9 Ų146.976%0.75977%0.769SS**  -175.212096.6-90.3156.8000109
757N35.5Very low38.8Very low117 Ų117143.2 Ų143.263%0.62676%0.763SS**  trans43.199135.5-171.930.6000119.2K759N757-K759 PolarHBondContact OD1-N 3.38Å
758M41.2Very low38.6Very low195 Ų195146.4 Ų146.496%0.96177%0.767SS**  trans-106.298.7137.2-77.9-158.1-68.700109.8D760M758-D760 PolarHBondContact O-N 3.45Å
759K40.5Very low38.6Very low167 Ų167146.8 Ų146.873%0.72677%0.771SS**  trans-59.8120.5156.1-102.8173.3174.2175.30108.5N757N757-K759 PolarHBondContact OD1-N 3.38Å
760D41.8Very low38.8Very low142 Ų142144.7 Ų144.776%0.75977%0.765SS**  175.6148.9108.6-85.7-23.8000111.7M758M758-D760 PolarHBondContact O-N 3.45Å
761S38.8Very low38.6Very low96 Ų96146.2 Ų146.267%0.67177%0.774SS**  trans22118.3159.165.90000118.7
762Y37Very low38.7Very low222 Ų222144.9 Ų144.987%0.87177%0.773SS**  cis-148.9148.443.6-100.4-89.9000113.3
763S33.7Very low39.3Very low109 Ų109141.4 Ų141.476%0.76277%0.768SS**  trans-136.6119.6170.9-174.60000111.1
764F41.3Very low39.5Very low202 Ų202142.3 Ų142.389%0.88676%0.762SS**  trans-152133.9153.9-90.9-82.2000103.7
765G38.7Very low39.9Very low72 Ų72145 Ų14574%0.74276%0.757SS**  cis95.5133.344.900000107.3
766S39.8Very low40.9Very low98 Ų98142.8 Ų142.869%0.68576%0.761SS**  cis-148.4141.110.6-177.40000106.1
767S37.7Very low41.2Very low97 Ų97141 Ų14168%0.67876%0.758SS**  54.913964.9-580000114.4
768Y35.8Very low41.5Very low216 Ų216139.5 Ų139.585%0.84776%0.757SS**  trans90.2147.6170.8-59.4-67.4000118.7
769P45.6Very low41.3Very low107 Ų107136.6 Ų136.670%0.69575%0.751SS**  trans-138.2-127.7-136.142.3-19.6000113.3
770T41Very low41.3Very low131 Ų131134.1 Ų134.180%0.80475%0.754SS**  trans73.2110.9-171.368.40000112.9
771N38.6Very low41.2Very low149 Ų149130.6 Ų130.680%0.79775%0.752SS**  cis88.9145.631.6-157.912000113.5
772L42.2Very low41.2Very low155 Ų155135.6 Ų135.681%0.81276%0.756SS**  trans69.1112.3-159.3-50.3173.3000111.5
773N47.1Very low41.4Very low129 Ų129136.3 Ų136.369%0.6976%0.757SS**  cis64.999.539.6-163.442.5000113.3
774E42.3Very low41.7Very low134 Ų134140.3 Ų140.363%0.62676%0.755SS**  -169.5141.697.2-99.7-163.7-149.600114.5
775R45.4Very low41.7Very low189 Ų189136.3 Ų136.371%0.71374%0.742SS**  trans34.7126.9142.8-83.5178.7168.7173.8-3.7120.9P777 S778R775-P777 CarbonylContact O-C 3.33Å; R775-P777 WeakPolarHBondContact O-CA 3.32Å; R775-S778 PolarHBondContact O-N 2.94Å
776S57.8Low41.5Very low124 Ų124137.3 Ų137.387%0.86774%0.738SS**THydrogen-bonded Turn-51.2109.7116.3-74.10000110.2
777P43.9Very low41.8Very low109 Ų109138.3 Ų138.371%0.70874%0.742SS**THydrogen-bonded Turncis-125.1111.5-6.933.5-14.3000114R775 T779R775-P777 CarbonylContact O-C 3.33Å; R775-P777 WeakPolarHBondContact O-CA 3.32Å; P777-T779 HydrophobicContact CB-CG2 4.3Å
778S41.2Very low42Very low86 Ų86141.1 Ų141.160%0.60174%0.742SS**  trans-102.886.5149.9-170.10000108.8R775 S780R775-S778 PolarHBondContact O-N 2.94Å; S778-S780 PolarHBondContact O-N 3.35Å; S778-S780 VanDerWaalsContact O-N 3.12Å
779T37.1Very low42Very low134 Ų134137.3 Ų137.382%0.82273%0.732SS**  trans-77.993.1-178.748.30000111.1P777P777-T779 HydrophobicContact CB-CG2 4.3Å
780S40.8Very low41.5Very low115 Ų115137.8 Ų137.880%0.80473%0.728SS**  trans-143.9168.9165.1-163.30000112S778S778-S780 PolarHBondContact O-N 3.35Å; S778-S780 VanDerWaalsContact O-N 3.12Å
781G39.2Very low41.4Very low68 Ų68142.7 Ų142.770%0.70173%0.734SS**  trans-64.1172.3-174.200000114.6
782R39.3Very low41.2Very low201 Ų201140 Ų14076%0.75873%0.726SS**  cis-156.9141.926.2-156.4-177.6-170.5170.54111.9R784R782-R784 PolarHBondContact O-N 3.04Å
783R41.4Very low41.3Very low238 Ų238138 Ų13890%0.89873%0.726SS**  trans-52.1136.3159.2-57.7172-178.8169.6-1.7109.4
784R39.7Very low40.9Very low192 Ų192142.2 Ų142.273%0.72573%0.732SS**  trans-160.7100.5140.4-106.4150.9-174.2-143.6-4.5110.7R782R782-R784 PolarHBondContact O-N 3.04Å
785I40.5Very low40.9Very low119 Ų119141.5 Ų141.561%0.6174%0.739SS**  93.597.2116.3-71.1177.7000111.3
786S35.9Very low40.4Very low93 Ų93142.6 Ų142.665%0.6574%0.743SS**  trans-56130.6140.846.30000108.2F788S786-F788 PolarHBondContact O-N 3.48Å
787P45.1Very low39.6Very low118 Ų118143.9 Ų143.977%0.76674%0.74SS**SBendtrans-65.3101.4171.627.4-32.4000108.8
788F42.7Very low39.2Very low156 Ų156143.9 Ų143.968%0.68474%0.738SS**  trans29.9109.5164.5-61.8-88.5000117.2S786S786-F788 PolarHBondContact O-N 3.48Å
789E35.8Very low39.2Very low137 Ų137147.3 Ų147.364%0.6475%0.749SS**  56.8132.974.1-65.8-164.5148.800114.6
790N34.4Very low39.4Very low116 Ų116145.6 Ų145.662%0.6274%0.738SS**  trans61.663.7141.4-58.7-25.1000119.6
791Y39.4Very low39.2Very low235 Ų235146.1 Ų146.192%0.92273%0.733SS**  -140.999.8124.1-70.8-67.9000107.3
792S34.9Very low39.4Very low91 Ų91153.7 Ų153.764%0.63674%0.74SS**  cis58.9132.540-157.60000113.4
793S42.5Very low39.4Very low114 Ų114151.8 Ų151.880%0.79774%0.741SS**  trans63.7114.3178-63.40000118
794R40Very low39.6Very low217 Ų217148.1 Ų148.182%0.81974%0.739SS**  trans-54162151.4-62.6170.3167.7176.4-4.5109.7
795P42Very low39.8Very low119 Ų119144.2 Ų144.277%0.77374%0.739SS**  -132.6143.4104.327.9-15.1000114.4
796R34.1Very low40Very low213 Ų213146.6 Ų146.680%0.80474%0.744SS**  trans-72118.1151.8-76169.1160.4169.4-9.2107.4
797L42.7Very low40.8Very low151 Ų151148.1 Ų148.179%0.79175%0.752SS**  trans-146.4108.4146.3-71-177.5000106.3
798T35.1Very low40.8Very low109 Ų109148.3 Ų148.367%0.66975%0.745SS**  59.578.874.769.50000113.9
799N40.4Very low40.9Very low158 Ų158149.7 Ų149.785%0.84575%0.754SS**  trans-154.9135.4150-114.9-16.5000109.2
800T42.2Very low41.2Very low97 Ų97148 Ų14860%0.59576%0.758SS**  cis-166.4171.8-35.7120.30000107.3
801N36.4Very low41.4Very low127 Ų127148 Ų14868%0.67976%0.762SS**  trans-7132149.3-37.6-62.4000114.7
802R43.7Very low41.6Very low226 Ų226147.3 Ų147.385%0.85376%0.759SS**  -154141.755.2-76.7165.7-178.9167.9-0.6109.3
803M37.8Very low42Very low161 Ų161149 Ų14979%0.79376%0.757SS**  44.1114.983.3-59.1-171.976.500114.6
804L47Very low41.9Very low162 Ų162153 Ų15385%0.84875%0.754SS**  179.4165.2106.9-88.9174.4000110.7
805P43.9Very low41.8Very low110 Ų110148.7 Ų148.771%0.71475%0.748SS**  trans-111.5-174.5-164.942.9-36.2000115.8
806K43.7Very low42.1Very low169 Ų169148.3 Ų148.374%0.73575%0.745SS**  trans-11.4146.2165.9-49.5175.1179.91780119.6I808K806-I808 HydrophobicContact CB-CD1 4.22Å; K806-I808 HydrophobicContact CB-CG1 3.76Å; K806-I808 HydrophobicContact CD-CD1 4.11Å; K806-I808 HydrophobicContact CD-CG1 3.96Å
807P53Low42.2Very low125 Ų125146.7 Ų146.781%0.81275%0.745SS**  -100.4143.1116.134.4-30.3000109.7
808I44.3Very low42Very low122 Ų122145.4 Ų145.463%0.62674%0.743SS**  cis72.3136.114.1-34.8-172.9000114.8K806K806-I808 HydrophobicContact CB-CD1 4.22Å; K806-I808 HydrophobicContact CB-CG1 3.76Å; K806-I808 HydrophobicContact CD-CD1 4.11Å; K806-I808 HydrophobicContact CD-CG1 3.96Å
809E44.7Very low42.3Very low184 Ų184145.5 Ų145.586%0.8674%0.743SS**  trans72.8142.2-179.9-44.7-168.5171.700114.9
810S42.6Very low42.4Very low103 Ų103147.4 Ų147.472%0.7274%0.744SS**  cis-136.8133.32.256.20000110
811T38.7Very low42.1Very low116 Ų116153.3 Ų153.371%0.71276%0.755SS**  71.288.776.4-45.50000115.4
812Y44.4Very low42.4Very low219 Ų219154.5 Ų154.586%0.85976%0.762SS**  trans-152.8115.8140.9-89-80.1000104.9
813E43Very low42.1Very low127 Ų127153 Ų15359%0.59376%0.762SS**  56.9131.979.8-69.3-142.5170.300114.2
814R40.4Very low42.6Very low197 Ų197152 Ų15274%0.74377%0.765SS**  cis-155.9154.7-6.3-135.2-177.1-166.9114.86.1108.9
815N38.6Very low42.2Very low128 Ų128149 Ų14968%0.68476%0.758SS**  trans-83137170.9-1758.4000110.4F817N815-F817 PolarHBondContact OD1-N 3.4Å
816P47.9Very low42.3Very low110 Ų110151 Ų15171%0.71476%0.762SS**  trans-129.591.4153.135.5-20.7000112.3
817F36.1Very low42.4Very low180 Ų180149.7 Ų149.779%0.78976%0.759SS**  trans-69.9152.3142.5-95.7-99.9000108.8N815N815-F817 PolarHBondContact OD1-N 3.4Å
818T38Very low42Very low124 Ų124154.8 Ų154.876%0.76176%0.762SS**  trans69.8148.5-16878.70000112.1
819V40.9Very low42.2Very low111 Ų111154.7 Ų154.767%0.67376%0.763SS**  cis-148134.837.81740000112.6
820K42.6Very low42.6Very low198 Ų198153.3 Ų153.386%0.86176%0.756SS**  trans56.3139.7155.3-66.8168-172.5175.10122.4
821R37Very low42.9Very low221 Ų221153.3 Ų153.383%0.83475%0.754SS**  trans-62.6150.7154.7-53.4167.2180124.1-1.5111
822N43.1Very low43.5Very low152 Ų152155.1 Ų155.181%0.81376%0.759SS**  trans-170.8120.5134.4-87.5-17.2000105.6
823F37.5Very low43.6Very low194 Ų194152.1 Ų152.185%0.85176%0.757SS**  49.285.263.7-83.5-71.4000114.3
824T46.7Very low44.2Very low140 Ų140156.5 Ų156.586%0.85977%0.768SS**  trans-145.2121.8136.544.10000109.6
825S38.6Very low45Very low100 Ų100159.6 Ų159.670%0.69979%0.787SS**  trans-69.9147.1166.552.40000111.9
826N45.6Very low45.3Very low151 Ų151161.2 Ų161.281%0.80779%0.793SS**  trans-157.8115.9138.3-92.8-35.8000107.8
827Q47.2Very low45.1Very low142 Ų142163.9 Ų163.966%0.66480%0.797SS**  6989.879.1-73.1-98.97.800112.6
828R44.7Very low45.6Very low231 Ų231163 Ų16387%0.87280%0.797SS**  -178.1110.6108.4-95.8165-174-174.21.4114
829N47.6Very low46.1Very low121 Ų121165.3 Ų165.365%0.64780%0.799SS**  56.3137.4113.3-69.746.9000123.2
830E52.7Low46.4Very low154 Ų154168.7 Ų168.772%0.7281%0.807SS**  trans75.9113.1155.9-61.1-43.3111.700120.7
831P49Very low46.7Very low104 Ų104166.7 Ų166.768%0.67580%0.804SS**  trans-85.4168.8155.238.1-32.8000110.8
832N52.2Low47.4Very low153 Ų153162.9 Ų162.982%0.81880%0.801SS**  trans-156.8140.3149.6-117.4-84.2000111.3
833L45.4Very low47.7Very low156 Ų156163.7 Ų163.782%0.81780%0.801SS**  trans-78.6154.8168.2-72.373.4000109.1
834R56.9Low48.5Very low220 Ų220161.2 Ų161.283%0.8380%0.796SS**  trans-159.2120146.1-115.7-177.5-177.9-161.7-1.2112.7
835F55.7Low48.7Very low262 Ų262163.1 Ų163.1100%1.14979%0.791SS**  trans58.70165.4-57.4-67000117.3

Retrieved 835 of 835 residues in 128.5 ms (Link to these results)