A0A3Q0KL69_SCHMA Loading...

Cell wall protein Awa1p-like

AlphaFold DB , UniProt , Accession A0A3Q0KL69, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,388 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
1M38Very low34.1Very low246 Ų246132.5 Ų132.5100%1.21277%0.77SS**  0170.20-70.9159.880.200108.2
2S33Very low33.6Very low99 Ų99129.6 Ų129.669%0.69276%0.762SS**  trans-48.4139.5-165.3-480000115.7
3Q30.2Very low33.1Very low172 Ų172129.8 Ų129.880%0.80476%0.759SS**  59.7149.495.4-50.7173.7-15.900113.8
4V36.1Very low32.7Very low114 Ų114129.4 Ų129.469%0.69175%0.752SS**  cis-150.3127.635.2-176.70000108.2
5T35.4Very low32.4Very low106 Ų106130.3 Ų130.365%0.6575%0.753SS**  49.7125.194.4-3.80000115.9
6N35.7Very low32.1Very low135 Ų135128.1 Ų128.172%0.72275%0.747SS**  -176.7146.178.3-87.5-25.6000108.6
7T35.2Very low31.8Very low112 Ų112129 Ų12969%0.68775%0.748SS**  74.6141.450.971.90000113.6
8T35.6Very low31.8Very low115 Ų115130.9 Ų130.971%0.70676%0.755SS**  cis-171.6149.36.8-123.40000116.2
9T34.1Very low31.8Very low129 Ų129130.9 Ų130.979%0.79176%0.758SS**  trans53162.715759.80000123.3
10G30.4Very low31.9Very low65 Ų65129.7 Ų129.767%0.6775%0.754SS**  cis151.8157.7-12.600000117.5
11I31.1Very low31.8Very low165 Ų165133.8 Ų133.885%0.84676%0.757SS**  trans56.8123.1153.2-16.6179.4000122.7
12S28Very low31.4Very low97 Ų97128.8 Ų128.868%0.67874%0.735SS**  141139.4110.7-153.40000119.8
13N27.9Very low31.4Very low133 Ų133134.7 Ų134.771%0.71174%0.742SS**  trans72.1129.3147.4-84.66.1000126.4
14N27.8Very low31.6Very low124 Ų124132 Ų13266%0.66374%0.738SS**  trans84.2115.6133.1-67.6-2.8000124.2
15N27Very low31.8Very low143 Ų143132.6 Ų132.677%0.76574%0.744SS**  86.3141.2129.5-78.9-4.1000124
16S28.9Very low31.6Very low94 Ų94130.8 Ų130.866%0.65775%0.746SS**  trans69.3108.5148.751.60000120.8
17N27.1Very low31.6Very low144 Ų144134 Ų13477%0.7775%0.754SS**  51.3105.9123.5-51.51.6000118.6
18N30.2Very low31.6Very low163 Ų163134.9 Ų134.987%0.87276%0.762SS**  -177.7130.5107.8-88.4-24.1000112.9
19T33.2Very low31.5Very low132 Ų132132.8 Ų132.881%0.8176%0.763SS**  trans-71.3169.7155.145.50000109.6
20P32.5Very low31.4Very low105 Ų105135 Ų13568%0.68277%0.768SS**  cis-139-142.520.444.1-23.9000114.7
21W31.1Very low31.5Very low217 Ų217135.4 Ų135.482%0.82277%0.772SS**  trans99.269.8174.4-61.599.4000119
22N29.2Very low31.6Very low140 Ų140134.3 Ų134.375%0.74977%0.773SS**  trans-41.1129.2148.1174.46.6000113.7
23R33.3Very low31.8Very low223 Ų223133.5 Ų133.584%0.84278%0.78SS**  trans-163.2123.8150.6-109.2167.8-155.9-1030.7112.5
24T34.4Very low32Very low117 Ų117130.3 Ų130.372%0.71878%0.779SS**  trans-73.2140.7-178.3-37.30000113.4G26T24-G26 PolarHBondContact O-N 3.32Å
25P39.3Very low32.2Very low125 Ų125130.6 Ų130.681%0.81279%0.785SS**  trans-67.7114.4159.3-15.230.4000110
26G32.2Very low32.5Very low68 Ų68130.3 Ų130.370%0.70179%0.789SS**  trans-75.3168.8-17600000114.7T24T24-G26 PolarHBondContact O-N 3.32Å
27K34.2Very low32.5Very low203 Ų203130.1 Ų130.188%0.88379%0.787SS**  trans-52.3152.5168.7-79.1-179.4173.81780111.4G29K27-G29 PolarHBondContact O-N 3.37Å
28P36Very low32.9Very low131 Ų131127.4 Ų127.485%0.85178%0.779SS**  trans-57.6109.8163-19.532.1000109.9
29G33.4Very low32.9Very low70 Ų70129.7 Ų129.772%0.72278%0.777SS**  trans-78.4129.1175.100000110.5K27 G31K27-G29 PolarHBondContact O-N 3.37Å; G29-G31 PolarHBondContact O-N 3.37Å
30I32Very low33.1Very low175 Ų175128.3 Ų128.390%0.89777%0.771SS**  trans-72.897.9171.6-61.7171000107.4
31G33.2Very low33Very low74 Ų74128.7 Ų128.776%0.76377%0.771SS**  trans-114.7109.2-178.100000111.9G29G29-G31 PolarHBondContact O-N 3.37Å
32T31.9Very low32.9Very low142 Ų142127.5 Ų127.587%0.87177%0.772SS**  trans-84.7136179.946.30000113.2
33G33.2Very low33.3Very low80 Ų80126 Ų12683%0.82577%0.772SS**  trans132.8140.616500000113
34G31.4Very low33.4Very low66 Ų66122 Ų12268%0.6877%0.773SS**  trans161-19.6171.400000120.7
35T33.6Very low33.5Very low131 Ų131122.7 Ų122.780%0.80478%0.779SS**  trans60.1145.9164.761.30000120.8
36V31.5Very low33.1Very low137 Ų137120.7 Ų120.783%0.8377%0.769SS**  trans58.6142.1161.7-83.20000120.5
37S30.5Very low33.4Very low89 Ų89124.1 Ų124.162%0.62277%0.771SS**  cis-160.8157.6-8.2-162.30000112.6
38S35.4Very low33.4Very low88 Ų88120.9 Ų120.962%0.61576%0.762SS**  trans69.2150.2150.6-52.70000119
39Y30.6Very low33.8Very low211 Ų211118.3 Ų118.383%0.82775%0.745SS**  cis-173.2179.1-22.7-94.7-44.2000106.6
40P35.8Very low33.7Very low103 Ų103125.8 Ų125.867%0.66975%0.752SS**  -129.6155.1-69.736.9-18.6000115.9
41T31.9Very low33.7Very low112 Ų112122.6 Ų122.669%0.68774%0.744SS**  trans34.1129.7132.4-37.90000122
42F29.1Very low33.7Very low193 Ų193124.9 Ų124.985%0.84674%0.744SS**  180153.5108.4-108.9-75.2000118
43S35.6Very low33.7Very low107 Ų107123.1 Ų123.175%0.74873%0.733SS**  trans81.796.1150.4-61.90000122
44T36.7Very low33.5Very low139 Ų139130.1 Ų130.185%0.85374%0.735SS**  trans-100.5146155.749.80000111.9
45P36.7Very low33.4Very low132 Ų132132.4 Ų132.486%0.85773%0.731SS**  trans-92.4159.2162.535.7-31.4000112.8
46S30.9Very low33.4Very low84 Ų84132.4 Ų132.459%0.58773%0.727SS**  trans-116.2165.8-172.956.60000113.8
47N37.1Very low33.2Very low139 Ų139130.5 Ų130.574%0.74373%0.725SS**  177.5127.9113.4-80.3-18.3000111.4
48I35Very low33.3Very low135 Ų135132.1 Ų132.169%0.69273%0.731SS**  cis86.1132.147.9-73.6172.8000112
49P43.6Very low33Very low77 Ų77135 Ų13550%0.574%0.739SS.*  cis-152.4-152.5-16.143.5-21.6000116.1
50W31.4Very low33Very low228 Ų228132.3 Ų132.386%0.86474%0.739SS**  trans92.6131.1165.9-58.7-56.4000115.6
51S33.1Very low32.8Very low107 Ų107134.1 Ų134.175%0.74874%0.741SS**  cis-169.9172.4-0.6400000110.6
52T33.8Very low32.7Very low122 Ų122138.1 Ų138.175%0.74875%0.752SS**  cis-178.7143.8-31.5-81.20000107.7
53T30.6Very low32.6Very low106 Ų106132 Ų13265%0.6574%0.744SS**  cis-179.2149-18.1-800000108.3
54R28.7Very low32.3Very low226 Ų226139.4 Ų139.485%0.85376%0.755SS**  trans73.9156.9172.2-77.6178.6174.6134.4-1.8116.9
55N29.6Very low31.8Very low114 Ų114136 Ų13661%0.6175%0.747SS**  cis-152.5171.98-136.528.4000113.7
56D33.9Very low31.4Very low132 Ų132138.2 Ų138.271%0.70675%0.746SS**  trans68.780.9151.9-53.2-32.5000122.8
57A27.3Very low31.2Very low96 Ų96141.1 Ų141.179%0.79375%0.754SS**  63.2155119.500000125.1
58V31.7Very low30.9Very low123 Ų123144 Ų14475%0.74576%0.763SS**  trans87.2100.9162.5-166.90000119
59D29.2Very low30.5Very low148 Ų148141.5 Ų141.579%0.79177%0.77SS**  trans61.1159.7145.4-65.1-36.5000125.4
60L32.1Very low29.7Very low156 Ų156142.1 Ų142.182%0.81779%0.79SS**  trans70.460.9159.4-108.965000120.9
61I31.4Very low29.5Very low140 Ų140134.3 Ų134.372%0.71878%0.781SS**  37.2133.3111-60.5178.9000119.2
62Q29.5Very low29.2Very low196 Ų196133.2 Ų133.292%0.91679%0.786SS**  trans75.466.1162.3-76.1164.211.400118.7
63G27.2Very low29.1Very low66 Ų66136 Ų13668%0.6879%0.791SS**  trans-164140.3156.500000112
64R28.1Very low28.9Very low262 Ų262139.6 Ų139.699%0.98980%0.803SS**  trans72146.9-167.6-48.6170.5175.6-170.1-3.3113.7
65G27.6Very low29.3Very low66 Ų66139.9 Ų139.968%0.6880%0.804SS**  cis139136.5-9.100000113.1
66Q27.2Very low29.4Very low179 Ų179140 Ų14084%0.83681%0.81SS**  trans64.5151.4175.7-67.8-175.1-41.300116.1
67I27.9Very low29.3Very low145 Ų145141.4 Ų141.474%0.74482%0.817SS**  cis-142.1130.1-20.8-94.1147.5000105.4
68E30.2Very low29.6Very low201 Ų201141.5 Ų141.594%0.93981%0.81SS**  trans-149.2154.1163.6-115.1175.3-169.400109.5
69G25.7Very low29.5Very low81 Ų81141.6 Ų141.684%0.83582%0.816SS**  trans-100.9165.5-160.300000116.4
70G27.1Very low29.7Very low90 Ų90139.4 Ų139.493%0.92880%0.803SS**  trans88.653.7157.700000117.4
71G28Very low29.5Very low65 Ų65141.6 Ų141.667%0.6781%0.806SS**  trans-132.7113.917200000113.1Q73G71-Q73 PolarHBondContact O-N 3.4Å
72G27Very low29.2Very low84 Ų84142.6 Ų142.687%0.86681%0.813SS**  trans-72.6115.1171.900000110.6M74G72-M74 PolarHBondContact O-N 3.19Å
73Q30.4Very low29.3Very low179 Ų179140 Ų14084%0.83681%0.811SS**PPolyproline II helixtrans-78.8124.4-171.3-60.6-164.710.300112.1G71 W75G71-Q73 PolarHBondContact O-N 3.4Å; Q73-W75 PolarHBondContact O-N 3.34Å
74M27.1Very low29.4Very low183 Ų183143.6 Ų143.690%0.90182%0.815SS**PPolyproline II helixtrans-69.7124.4172.3-72.1164.451.700110.2G72G72-M74 PolarHBondContact O-N 3.19Å
75W38Very low29.3Very low232 Ų232143 Ų14388%0.87981%0.812SS**PPolyproline II helixtrans-77.9143.7167.8-72.790.5000110.6Q73Q73-W75 PolarHBondContact O-N 3.34Å
76P31.7Very low29.4Very low115 Ų115145.6 Ų145.675%0.74782%0.815SS**PPolyproline II helixtrans-65.8137.2-178.8-20.232.8000112.5
77L31.8Very low29.7Very low163 Ų163142.3 Ų142.385%0.85381%0.812SS**PPolyproline II helixtrans-70.5138.4166.8-73.2163.6000109.7S79L77-S79 PolarHBondContact O-N 2.76Å
78P32.5Very low29.7Very low97 Ų97143.1 Ų143.163%0.6382%0.818SS**PPolyproline II helixtrans-69.2127.1168.329.3-32.7000109.7I80P78-I80 HydrophobicContact CB-CG1 4.34Å; P78-I80 HydrophobicContact CG-CD1 4.38Å; P78-I80 PolarHBondContact O-N 3.32Å
79S29.5Very low29.8Very low125 Ų125145.2 Ų145.287%0.87482%0.817SS**  trans-75.3110.7172.740.30000110.3L77L77-S79 PolarHBondContact O-N 2.76Å
80I33Very low29.9Very low102 Ų102149.8 Ų149.852%0.52382%0.822SS.*  trans-117.539.6180-34.7-178.4000111.3P78P78-I80 HydrophobicContact CB-CG1 4.34Å; P78-I80 HydrophobicContact CG-CD1 4.38Å; P78-I80 PolarHBondContact O-N 3.32Å
81F27.8Very low30.2Very low203 Ų203149.6 Ų149.689%0.8981%0.812SS**  trans-142.580.2174.8-72.2-68000111.4
82D26.1Very low30.4Very low161 Ų161153 Ų15386%0.86182%0.82SS**  trans-152.2116.6153.4-103.3-41.3000109
83T30.8Very low30.6Very low142 Ų142154.9 Ų154.987%0.87181%0.814SS**  trans-148.3121.7169.6-60.90000107.6
84N30.2Very low30.7Very low141 Ų141153 Ų15375%0.75481%0.814SS**  trans-65.4138.6-164.5-75.5-66000113.8T86N84-T86 HydrophobicContact CB-CG2 4.34Å; N84-T86 PolarHBondContact O-N 2.99Å; N84-T86 VanDerWaalsContact O-N 3.15Å
85R26.2Very low30.8Very low249 Ų249147.6 Ų147.694%0.9481%0.805SS**  trans-76.187.1156.7-76.1-177172.1-177.6-2.5109.6
86T28.8Very low30.6Very low120 Ų120140.2 Ų140.274%0.73680%0.801SS**  trans-96101.2162.645.30000109.3N84N84-T86 HydrophobicContact CB-CG2 4.34Å; N84-T86 PolarHBondContact O-N 2.99Å; N84-T86 VanDerWaalsContact O-N 3.15Å
87S34.2Very low30.6Very low110 Ų110144.3 Ų144.377%0.76981%0.811SS**  trans-106.2106172-60.40000109.5R89S87-R89 PolarHBondContact O-N 3.31Å
88D27.9Very low30.7Very low162 Ų162140.6 Ų140.687%0.86681%0.811SS**  trans-63.6125.7179.5-73-58.1000112.5
89R32.8Very low30.7Very low245 Ų245140 Ų14093%0.92582%0.823SS**  trans-140.7112.6160.8-81.1-166.6171.6179.4-1.2110.9S87 A91S87-R89 PolarHBondContact O-N 3.31Å; R89-A91 PolarHBondContact O-N 2.81Å
90N27.9Very low30.8Very low177 Ų177137.3 Ų137.395%0.94782%0.815SS**  trans-67.5119.1174.2-82.5-37.9000112.7
91A32.9Very low30.7Very low86 Ų86141 Ų14171%0.71183%0.83SS**  trans-165.2123.2149.800000107.6R89R89-A91 PolarHBondContact O-N 2.81Å
92V31Very low30.8Very low138 Ų138140 Ų14084%0.83683%0.825SS**  67119.763175.20000111.9
93V31.1Very low31.1Very low122 Ų122137.5 Ų137.574%0.73981%0.811SS**  cis-169157-1483.10000110.1
94V32.9Very low31.3Very low140 Ų140134.2 Ų134.285%0.84879%0.793SS**  trans64.6145.1165.8169.50000117.8
95G30.8Very low31.1Very low69 Ų69133.4 Ų133.471%0.71178%0.784SS**  cis150.3132.1-12.800000115.3
96G32.4Very low31.3Very low77 Ų77128.9 Ų128.979%0.79477%0.774SS**  trans78.4159.516500000118.5
97E31.7Very low31.4Very low202 Ų202127.7 Ų127.794%0.94477%0.771SS**  cis-167.5145.2-20.5-142.2165.8-123.900111.9
98G33.6Very low31.1Very low84 Ų84127.8 Ų127.887%0.86677%0.766SS**  trans77.5146.6176.100000116.6
99G33Very low31.1Very low85 Ų85125.3 Ų125.388%0.87676%0.757SS**  cis131.5136.5-0.500000111.8
100G32.6Very low30.8Very low68 Ų68120.7 Ų120.770%0.70175%0.751SS**  cis-179.8-171.2-2.100000111.8
101E30.4Very low30.6Very low180 Ų180116.6 Ų116.684%0.84174%0.737SS**  trans69.1150.9179.2-40.7-174.9161.400115.3
102F30.1Very low30.2Very low181 Ų181121.7 Ų121.779%0.79475%0.745SS**  cis-146.3165.317.9-132.7-85.5000111.9
103L31.8Very low29.8Very low109 Ų109125.7 Ų125.757%0.57175%0.746SS**  trans-97.8-174.4-176.2-36.6179.6000112.8D239 F240L103-D239 VanDerWaalsContact CD2-O 3.26Å; L103-D239 WeakPolarHBondContact CD2-O 3.39Å; L103-F240 HydrophobicContact CB-CB 4.36Å; L103-F240 HydrophobicContact CD2-CB 4.34Å
104P34.8Very low29.5Very low73 Ų73124 Ų12447%0.47475%0.745SS.*  cis-120.8-150.2-16.439-19.5000110.5F240P104-F240 HydrophobicContact CB-CB 4.47Å; P104-F240 HydrophobicContact CB-CD2 3.35Å; P104-F240 HydrophobicContact CB-CE2 3.78Å; P104-F240 HydrophobicContact CB-CG 4Å
105Q26.3Very low29.3Very low124 Ų124124 Ų12458%0.57975%0.745SS**  cis-153.3159.9-4.9-154.598.224.700105.2F240 I241Q105-F240 HydrophobicContact CB-CE1 4.49Å; Q105-F240 HydrophobicContact CB-CE2 4.38Å; Q105-F240 HydrophobicContact CB-CZ 4.25Å; Q105-F240 HydrophobicContact CG-CE1 4.31Å; Q105-F240 HydrophobicContact CG-CE2 3.98Å; Q105-F240 HydrophobicContact CG-CZ 3.7Å; Q105-I241 VanDerWaalsContact N-CG1 3.33Å; Q105-I241 WeakPolarHBondContact O-CD1 3.39Å; Q105-I241 WeakPolarHBondContact O-CG1 3.31Å
106E30.4Very low29Very low154 Ų154125.7 Ų125.772%0.7274%0.742SS**  cis-149.7-15130.4-74.6-172.7107.200113
107S30.4Very low29.1Very low96 Ų96126.9 Ų126.967%0.67174%0.735SS**  trans-64.8128.4-170.248.50000118.6
108T28.6Very low28.8Very low111 Ų111121.9 Ų121.968%0.68171%0.711SS**  69.9103.272.555.40000115.9
109T28.4Very low28.5Very low110 Ų110122.9 Ų122.968%0.67571%0.705SS**  69.3132.276.463.10000114
110D24.9Very low28.3Very low148 Ų148122.1 Ų122.179%0.79170%0.696SS**SBendcis71.590.924.8-143.3-7.2000115.4
111S24.1Very low28.1Very low92 Ų92127.1 Ų127.164%0.64370%0.702SS**SBendtrans74.3142.4170.5-61.10000120.7
112Q24.7Very low27.9Very low192 Ų192124.3 Ų124.390%0.89770%0.697SS**  trans66.5-163168.7-56.6-166.9-200117.7
113W23.7Very low27.8Very low222 Ų222122.3 Ų122.384%0.84170%0.7SS**  trans70.489.6-165-46.7101.3000114.3
114A24.9Very low27.9Very low87 Ų87122.3 Ų122.372%0.71971%0.709SS**  73.9113.867.800000114
115T27.2Very low27.4Very low139 Ų139126.1 Ų126.185%0.85373%0.725SS**  trans-77.3133.1177.649.20000112.6
116T25.3Very low27.7Very low105 Ų105126.7 Ų126.764%0.64474%0.737SS**  trans-156.9125167.322.60000111.5F234T116-F234 VanDerWaalsContact CB-CZ 3.48Å; T116-F234 HydrophobicContact CG2-CE1 4.02Å; T116-F234 HydrophobicContact CG2-CZ 3.62Å
117P34.2Very low27.5Very low102 Ų102124.1 Ų124.166%0.66274%0.736SS**  trans-89.8-151-170.636.3-41.3000116.5F234P117-F234 VanDerWaalsContact CD-CZ 3.42Å; P117-F234 HydrophobicContact CG-CE2 3.89Å; P117-F234 HydrophobicContact CG-CZ 4.11Å; P117-F234 VanDerWaalsContact N-CZ 3.3Å; P117-F234 VanDerWaalsContact O-CD1 3.27Å; P117-F234 WeakPolarHBondContact O-CD1 3.39Å; P117-F234 WeakPolarHBondContact O-CE1 3.48Å; P117-F234 VanDerWaalsContact O-CZ 3.3Å; P117-F234 WeakPolarHBondContact O-CZ 3.4Å
118F24.4Very low27.3Very low97 Ų97124.4 Ų124.443%0.42574%0.738SS.*  trans11490.7167-104.2-108.7000121.4V231 S232 F234F118-V231 HydrophobicContact CE2-CG1 4.18Å; F118-V231 HydrophobicContact CZ-CG1 3.93Å; F118-S232 VanDerWaalsContact CZ-CB 3.45Å; F118-F234 HydrophobicContact CB-CB 3.95Å; F118-F234 HydrophobicContact CB-CD1 4.11Å; F118-F234 HydrophobicContact CB-CD2 3.66Å; F118-F234 HydrophobicContact CB-CE2 4.37Å; F118-F234 HydrophobicContact CB-CG 3.53Å; F118-F234 HydrophobicContact CD1-CB 4.31Å; F118-F234 HydrophobicContact CD1-CD2 4.44Å; F118-F234 AromaticContact CD2-CD2 3.25Å; F118-F234 HydrophobicContact CD2-CD2 3.25Å; F118-F234 AromaticContact CD2-CE2 3.82Å; F118-F234 HydrophobicContact CD2-CE2 3.82Å; F118-F234 HydrophobicContact CD2-CG 4.02Å; F118-F234 HydrophobicContact CE2-CD2 4.07Å; F118-F234 HydrophobicContact CG-CB 3.99Å; F118-F234 AromaticContact CG-CD2 3.51Å; F118-F234 HydrophobicContact CG-CD2 3.51Å; F118-F234 HydrophobicContact CG-CE2 4.37Å; F118-F234 AromaticContact CG-CG 3.78Å; F118-F234 HydrophobicContact CG-CG 3.78Å
119S28.5Very low27.3Very low106 Ų106126.6 Ų126.674%0.74175%0.745SS**  46.8118118-158.40000122.4
120G29.4Very low27.4Very low68 Ų68129.4 Ų129.470%0.70176%0.755SS**  trans-139.6112.3148.500000109.4
121Q27.9Very low27.7Very low173 Ų173125.8 Ų125.881%0.80875%0.752SS**  67.696.399.8-77.9-169.9-4.100115.1
122T26.6Very low28.1Very low122 Ų122127.2 Ų127.275%0.74876%0.763SS**  63.3118102.458.60000113.8
123T28.4Very low28.5Very low138 Ų138123.3 Ų123.385%0.84775%0.754SS**  -160.5-173.950.453.80000108.9
124S32.3Very low28.9Very low109 Ų109120.2 Ų120.276%0.76275%0.754SS**  cis-153.3173.912.159.80000111.3
125N25Very low29Very low153 Ų153121.6 Ų121.682%0.81875%0.753SS**  trans-85.2149.4179.6-44.9-74.3000112.8
126V32Very low28.9Very low137 Ų137123.4 Ų123.483%0.8375%0.75SS**  -161.8124.7123.4-100.40000114.2
127S26.7Very low29.1Very low100 Ų100123.8 Ų123.870%0.69975%0.754SS**  50.2102.3129.3-50.40000122.3
128S26.2Very low28.7Very low102 Ų102125.9 Ų125.971%0.71376%0.758SS**  27.3137.3117.664.20000121.6
129L29.7Very low29Very low156 Ų156126.9 Ų126.982%0.81778%0.777SS**  -167.5114.9126.7-105.6149.8000114.2
130L30.4Very low29Very low169 Ų169128.4 Ų128.489%0.88578%0.777SS**  trans49.9144.4147.1-9652.1000123
131G31.3Very low29Very low72 Ų72132.3 Ų132.374%0.74278%0.782SS**  trans172.4-2.2163.400000122
132S30.9Very low29.1Very low123 Ų123131.1 Ų131.186%0.8678%0.776SS**  trans-90138.6-171.8-52.10000115.9
133P33.6Very low29.1Very low109 Ų109130.8 Ų130.871%0.70877%0.769SS**  trans-137.315514738.5-25.9000113.3
134N31.4Very low29.2Very low157 Ų157131.4 Ų131.484%0.8476%0.762SS**  cis-155.6164.7-20.4-116-24.4000111.4
135T27Very low29Very low117 Ų117131.1 Ų131.172%0.71877%0.766SS**  trans-99.5123.6-158.1-81.80000114.6
136F25.9Very low29.3Very low176 Ų176130.7 Ų130.777%0.77276%0.763SS**  trans67.2173.2151.5-77.1-117.9000116.9
137P28.4Very low29.2Very low114 Ų114130.4 Ų130.474%0.7476%0.757SS**  cis-134158.21042.2-24.9000119.7
138I25.7Very low29.2Very low145 Ų145130.4 Ų130.474%0.74475%0.754SS**  trans9.8120.3143-46.4173.8000118.8
139S31Very low29.2Very low119 Ų119137.6 Ų137.683%0.83277%0.766SS**  trans-153.7162.8139.760.10000110.9
140N28.4Very low29.1Very low137 Ų137134.7 Ų134.773%0.73376%0.759SS**  trans-87.4139-163.8-61.5-31.3000114.5
141N30.7Very low29Very low151 Ų151135.4 Ų135.481%0.80776%0.755SS**  154.4155119.5-79.3-42.5000114.3
142H29.6Very low28.8Very low148 Ų148139.9 Ų139.969%0.68576%0.763SS**  trans64.180.6161.8-99-94.3000120.7W990H142-W990 AromaticContact CE1-CH2 3.61Å; H142-W990 AromaticContact ND1-CH2 3.96Å
143I26.9Very low28.7Very low115 Ų115141.3 Ų141.359%0.5976%0.76SS**  34.5105.8114.9-49.8162.1000117.1W990I143-W990 HydrophobicContact CB-CH2 4.27Å; I143-W990 HydrophobicContact CD1-CH2 3.65Å; I143-W990 HydrophobicContact CD1-CZ3 3.8Å; I143-W990 HydrophobicContact CG2-CH2 4.09Å; I143-W990 HydrophobicContact CG2-CZ2 4.09Å
144Q29.1Very low28.7Very low150 Ų150140.7 Ų140.770%0.70176%0.756SS**  -169.9143.5111.2-100.6-177.9600111.3
145A28.9Very low28.6Very low104 Ų104140 Ų14086%0.8675%0.753SS**  trans-92.4124.8174.200000109.9N147A145-N147 PolarHBondContact O-N 3.25Å
146L31.1Very low28.8Very low143 Ų143141.4 Ų141.475%0.74976%0.756SS**  trans-87.4104.5179.9-83161.4000111F151L146-F151 HydrophobicContact CD2-CE2 3.82Å; L146-F151 HydrophobicContact CD2-CZ 4.39Å
147N29.3Very low28.9Very low131 Ų131140.8 Ų140.870%0.70176%0.76SS**  trans-61135.4159.6-95.9-4.3000109.4A145A145-N147 PolarHBondContact O-N 3.25Å
148P28.5Very low28.9Very low100 Ų100141.6 Ų141.665%0.64977%0.767SS**SBendtrans-64.4155.9150.432-32.4000108.7
149W25.8Very low28.8Very low253 Ų253140.4 Ų140.496%0.95877%0.772SS**SBendtrans71.844.9179.6-48.880.8000116.9
150S26.3Very low28.8Very low96 Ų96142.9 Ų142.967%0.67177%0.774SS**  trans-163.7127.4153.5-81.80000111.6
151F28.6Very low28.8Very low183 Ų183142.5 Ų142.580%0.80378%0.777SS**  trans-161.779.8158-110.9-64.7000111.9L146L146-F151 HydrophobicContact CD2-CE2 3.82Å; L146-F151 HydrophobicContact CD2-CZ 4.39Å
152D27.6Very low28.7Very low167 Ų167139.2 Ų139.289%0.89377%0.771SS**  trans-83.5110.5152.7-87-54.1000109.1
153N28.8Very low28.7Very low152 Ų152138.8 Ų138.881%0.81378%0.781SS**  trans-169149.4137.7-121-13000111
154P34.2Very low28.7Very low96 Ų96144.3 Ų144.362%0.62379%0.794SS**  trans-96.8178-173.138.6-35.6000114.3
155N29.6Very low28.8Very low144 Ų144142.1 Ų142.177%0.7780%0.802SS**  trans89.6135.2166.3-56.6-33000118.4
156N30.6Very low29Very low146 Ų146143.9 Ų143.978%0.78180%0.796SS**  trans71.993.5161-59.2-19.5000119.3
157N28.8Very low29.1Very low162 Ų162143.1 Ų143.187%0.86680%0.797SS**  31.3100.2129.2-63-8.6000118.7
158C27.1Very low29.1Very low131 Ų131140.8 Ų140.889%0.88580%0.804SS**  -163.4135.6119.6-129.10000112.3
159S24.5Very low29.2Very low121 Ų121142.4 Ų142.485%0.84680%0.803SS**  trans-88122.6178.8-50.20000111.6
160I29.7Very low29.5Very low170 Ų170139.9 Ų139.987%0.87280%0.802SS**  trans-144.1157.1166.5-98.8157000109
161T29.5Very low29.7Very low130 Ų130140.3 Ų140.380%0.79880%0.796SS**  trans-123.2133.3-148.9-62.80000115.2
162A27.9Very low29.9Very low82 Ų82139.6 Ų139.668%0.67880%0.8SS**  trans67.5173.6165.600000115.2
163P29Very low29.9Very low138 Ų138137.9 Ų137.990%0.89679%0.791SS**  cis-100.6172.545-4.725.9000115.8
164R28.2Very low30Very low231 Ų231136.7 Ų136.787%0.87279%0.789SS**  trans-127.1128.1-176-172.3-175.8-171.9-165.43.3109.6I166R164-I166 PolarHBondContact O-N 3.3Å
165A30.2Very low29.6Very low104 Ų104139 Ų13986%0.8680%0.801SS**  trans-73.987.1-175.900000112.9T167A165-T167 PolarHBondContact O-N 3.39Å
166I32.9Very low29.7Very low141 Ų141137.9 Ų137.972%0.72380%0.799SS**  trans20.796.4150-50178.5000116.1R164R164-I166 PolarHBondContact O-N 3.3Å
167T33.9Very low29.5Very low128 Ų128138.4 Ų138.479%0.78580%0.802SS**PPolyproline II helixtrans-70.4149.9145.446.40000109.6A165 Q169A165-T167 PolarHBondContact O-N 3.39Å; T167-Q169 PolarHBondContact O-N 3.38Å
168G29.9Very low29.4Very low81 Ų81134.7 Ų134.784%0.83579%0.793SS**PPolyproline II helixtrans-52.3134.2-177.600000113.7
169Q30.7Very low29.6Very low134 Ų134136.1 Ų136.163%0.62679%0.792SS**PPolyproline II helixtrans-91.5135.1176.8-63.2-179.40.600110.6T167 L171T167-Q169 PolarHBondContact O-N 3.38Å; Q169-L171 HydrophobicContact CB-CG 4.45Å
170Q32.2Very low29.9Very low201 Ų201136.2 Ų136.294%0.93979%0.788SS**  -110.6126.1127-81.2-166.4-12.600107.4
171L30.2Very low30Very low104 Ų104133.3 Ų133.355%0.54578%0.78SS.*  trans-85.1142.4174.4-68.8167.5000109.1Q169Q169-L171 HydrophobicContact CB-CG 4.45Å
172N31.8Very low29.9Very low168 Ų168131.8 Ų131.890%0.89878%0.775SS**  trans-145.7102.6135.3-109.9-30.5000109.1
173N27.4Very low30Very low132 Ų132134 Ų13471%0.70678%0.775SS**  trans-76.5126.9175.9-66.9-20.6000109.5
174V31.4Very low29.9Very low126 Ų126132.6 Ų132.676%0.76476%0.764SS**  -143.1119.5129.7-175.30000108.5
175V26.1Very low30.2Very low145 Ų145128.9 Ų128.988%0.87976%0.761SS**  trans-130104.4155.2177.20000106.7
176T31Very low30.2Very low120 Ų120130.4 Ų130.474%0.73675%0.754SS**  trans-130.3150.5168.7-53.70000107.8
177L27.7Very low30.2Very low158 Ų158129.1 Ų129.183%0.82776%0.755SS**  trans-70152.6-158.6-78.861.3000114.3
178A26.4Very low30Very low84 Ų84129.5 Ų129.569%0.69475%0.753SS**  trans1.5124.6156.200000118.5
179N30Very low30.2Very low160 Ų160135.9 Ų135.986%0.85675%0.751SS**  -159.5150.2103.8-91.6-30.4000113.3
180T31.1Very low30.2Very low124 Ų124134.3 Ų134.376%0.76176%0.755SS**  trans-53.5170.2173.851.20000116.4
181P31.7Very low30.1Very low109 Ų109135.2 Ų135.271%0.70875%0.75SS**  cis-137-148.4-37.639.8-20.3000110.3
182S27.4Very low30.1Very low97 Ų97141.5 Ų141.568%0.67877%0.767SS**  trans71.2147.6160.2-72.60000118
183D29.7Very low29.8Very low129 Ų129144 Ų14469%0.6977%0.765SS**  cis-158.2163.6-10.6-117.3-42.5000113
184T28.7Very low29.7Very low109 Ų109144.9 Ų144.967%0.66977%0.767SS**  trans34.2113.5151.361.90000119.6
185L33.9Very low29.5Very low152 Ų152146.9 Ų146.980%0.79677%0.768SS**  153.6159.187-97.1147.3000107.5
186N30.3Very low29.4Very low136 Ų136147.3 Ų147.373%0.72776%0.76SS**  cis-153.7136.8-7.4-164.719.9000108.4
187P32.2Very low29.2Very low115 Ų115154.1 Ų154.175%0.74777%0.772SS**  trans-100139.4179.635.6-31.4000113.9
188D30.8Very low29.2Very low136 Ų136151.1 Ų151.173%0.72776%0.761SS**  trans-156.2160.8159.7-158.45.4000113.5
189R34.4Very low29.3Very low214 Ų214153.2 Ų153.281%0.80877%0.765SS**  trans6183.5167.8-54.8-169177-160.7-4.8117.1
190S30.1Very low29.3Very low101 Ų101153.2 Ų153.271%0.70676%0.764SS**  78.911666.9-71.10000118.4
191R28.7Very low29Very low221 Ų221153.6 Ų153.683%0.83476%0.761SS**  trans67.987.8133.5-62.6178.1172.3-130.90.9121.1
192R31.1Very low29Very low235 Ų235156 Ų15689%0.88777%0.769SS**  162.6122.4108.4-88.5170.2-78.6-163.42.3109.2
193Y25.3Very low29Very low220 Ų220159.5 Ų159.586%0.86377%0.774SS**  69.5117.574.8-114-91.1000115
194M26.1Very low28.9Very low151 Ų151161.4 Ų161.474%0.74478%0.779SS**  trans81.5127.4168.7-51.8-154.4-68.600119.9
195Q26.3Very low28.8Very low168 Ų168162.5 Ų162.579%0.78578%0.781SS**  trans54.291.8141.1-64.1170.3-13.600118.9
196H25.6Very low28.6Very low154 Ų154162.2 Ų162.271%0.71378%0.779SS**  trans-155.5124139.8-112.9-88.2000110.5T198H196-T198 PolarHBondContact CE1-OG1 3.31Å; H196-T198 PolarHBondContact ND1-OG1 2.98Å
197W26.1Very low28.5Very low263 Ų263162.5 Ų162.5100%0.99678%0.78SS**  trans-13680.7155.2-93.1108.1000106.3
198T26.7Very low28.4Very low95 Ų95162.9 Ų162.958%0.58378%0.776SS**  trans-120139.7173.152.40000108.8H196H196-T198 PolarHBondContact CE1-OG1 3.31Å; H196-T198 PolarHBondContact ND1-OG1 2.98Å
199T29.7Very low28.4Very low129 Ų129162.5 Ų162.579%0.79177%0.774SS**  trans-20.5129.3161.1-39.40000115.2
200L29.4Very low28.3Very low159 Ų159158.2 Ų158.283%0.83277%0.767SS**  trans-147127.2145.1-109.8173.3000108.8
201N25.4Very low28.1Very low132 Ų132163.8 Ų163.871%0.70677%0.772SS**  trans-70.1149.6161.8-62.1-20.9000108.1
202N30.5Very low28.1Very low161 Ų161159.6 Ų159.686%0.86178%0.777SS**  trans-141.1106.5151.6-94.4-23.1000107.4
203E28.7Very low28Very low170 Ų170151.8 Ų151.879%0.79477%0.769SS**  trans-73.1136161.3-57.7168.7119.100107.6
204Q26.8Very low28.1Very low169 Ų169150 Ų15079%0.7977%0.774SS**  trans171133.9136.8-95.5162.52.300112
205D26.5Very low28.2Very low131 Ų131147.3 Ų147.370%0.70178%0.776SS**  trans48.6106.9131.3-57.7-13.6000117.5
206L29.2Very low28.2Very low146 Ų146148.6 Ų148.676%0.76478%0.779SS**  cis-173149.247-89.1131000112.7
207L30Very low28.5Very low142 Ų142147.7 Ų147.774%0.74379%0.787SS**  trans61.8123.8144.8-62.2170.2000121.4
208N28.4Very low28.5Very low123 Ų123142.4 Ų142.466%0.65878%0.777SS**  trans97131.2133.2-83.347.3000122.6
209D31.3Very low28.6Very low129 Ų129142.3 Ų142.369%0.6978%0.781SS**  trans77.873141-51.1-18.4000120.3
210D31.7Very low28.6Very low124 Ų124142.6 Ų142.666%0.66379%0.788SS**  58120.6119.3-92-35.2000122.1
211R27.1Very low28.6Very low217 Ų217141.1 Ų141.182%0.81978%0.779SS**  trans5390.6131.5-60.6166-164.9-125.70.4119
212S28Very low28.7Very low134 Ų134142.1 Ų142.194%0.93779%0.785SS**  169.7166.411349.30000111.1
213G28.7Very low28.5Very low70 Ų70141.2 Ų141.272%0.72278%0.778SS**  trans131.310.5161.200000119.8
214L28.7Very low28.5Very low184 Ų184139.5 Ų139.596%0.96378%0.775SS**  trans-122.482171.7-70.5178000111.8
215A27.9Very low28.6Very low94 Ų94137.6 Ų137.678%0.77777%0.77SS**  trans-127.1141.717000000110.1
216F26.6Very low28.8Very low194 Ų194138.7 Ų138.785%0.85178%0.776SS**  trans-75136.9-172.5-54.5-95000112.3L218F216-L218 PolarHBondContact O-N 3.02Å
217P32.1Very low28.7Very low136 Ų136135.4 Ų135.488%0.88377%0.765SS**  trans-79.284.3169.532.5-33.3000110.6
218L25.9Very low28.6Very low151 Ų151135.1 Ų135.179%0.79176%0.764SS**  trans-82.7157.9160.9-78.9173.9000110.9F216F216-L218 PolarHBondContact O-N 3.02Å
219S27.2Very low28.7Very low94 Ų94136 Ų13666%0.65777%0.769SS**  trans54.693.3162.153.40000118.2I221S219-I221 PolarHBondContact O-N 3.14Å
220S30.5Very low28.6Very low134 Ų134135.3 Ų135.394%0.93777%0.774SS**  trans-83.363.6152.3-58.30000110.8
221I28.8Very low28.4Very low128 Ų128135.2 Ų135.266%0.65678%0.778SS**  trans-85.3117.1171-60.3175000108.1S219 I223S219-I221 PolarHBondContact O-N 3.14Å; I221-I223 HydrophobicContact CG2-CD1 4.31Å; I221-I223 HydrophobicContact CG2-CG1 3.76Å; I221-I223 PolarHBondContact O-N 2.7Å
222N27.2Very low28.5Very low154 Ų154129.9 Ų129.982%0.82477%0.774SS**  trans-78.8115170.1-174.9-0.8000109.2
223I27.3Very low28.5Very low142 Ų142126.1 Ų126.173%0.72876%0.756SS**  trans-114.4126.8175.8-56.2-179.7000108.3I221I221-I223 HydrophobicContact CG2-CD1 4.31Å; I221-I223 HydrophobicContact CG2-CG1 3.76Å; I221-I223 PolarHBondContact O-N 2.7Å
224N29.6Very low28.4Very low134 Ų134128.2 Ų128.272%0.71775%0.745SS**  trans-124.497.5173.2-17216.8000111.7
225N27.9Very low28.3Very low128 Ų128122.9 Ų122.968%0.68474%0.735SS**  trans38.5104.8148.8-58.3-53.4000120.4
226N29.9Very low28.4Very low154 Ų154125.6 Ų125.682%0.82474%0.736SS**  -174.5151.1100.2-102.6-3.8000109.3
227S28.4Very low28.8Very low77 Ų77120.9 Ų120.954%0.53873%0.725SS.*  cis-179.1147.8-22.848.40000107.6
228N28.4Very low28.7Very low137 Ų137118.6 Ų118.673%0.73371%0.712SS**  trans84112.9158.8-51.9-23.6000120.7
229N29.1Very low29Very low142 Ų142116 Ų11676%0.75970%0.699SS**  9798.5125.4-653.3000123
230S30.6Very low29.3Very low113 Ų113114.5 Ų114.579%0.7968%0.681SS**  100.3151.7119.3-590000120.4
231V27.5Very low29.4Very low123 Ų123112.4 Ų112.475%0.74566%0.658SS**  trans-148.1158.8-157.41650000111F118F118-V231 HydrophobicContact CE2-CG1 4.18Å; F118-V231 HydrophobicContact CZ-CG1 3.93Å
232S27.8Very low29.5Very low104 Ų104113.5 Ų113.573%0.72766%0.661SS**  trans112.3150163.373.10000117.2F118F118-S232 VanDerWaalsContact CZ-CB 3.45Å
233G28.7Very low29.7Very low55 Ų55111.7 Ų111.757%0.56765%0.651SS**  cis166.2120.1-1400000117.1
234F26.3Very low29.8Very low114 Ų114112.6 Ų112.650%0.565%0.652SS.*  trans68132.9139.4-89.6-91.7000126.3T116 P117 F118T116-F234 VanDerWaalsContact CB-CZ 3.48Å; T116-F234 HydrophobicContact CG2-CE1 4.02Å; T116-F234 HydrophobicContact CG2-CZ 3.62Å; P117-F234 VanDerWaalsContact CD-CZ 3.42Å; P117-F234 HydrophobicContact CG-CE2 3.89Å; P117-F234 HydrophobicContact CG-CZ 4.11Å; P117-F234 VanDerWaalsContact N-CZ 3.3Å; P117-F234 VanDerWaalsContact O-CD1 3.27Å; P117-F234 WeakPolarHBondContact O-CD1 3.39Å; P117-F234 WeakPolarHBondContact O-CE1 3.48Å; P117-F234 VanDerWaalsContact O-CZ 3.3Å; P117-F234 WeakPolarHBondContact O-CZ 3.4Å; F118-F234 HydrophobicContact CB-CB 3.95Å; F118-F234 HydrophobicContact CB-CD1 4.11Å; F118-F234 HydrophobicContact CB-CD2 3.66Å; F118-F234 HydrophobicContact CB-CE2 4.37Å; F118-F234 HydrophobicContact CB-CG 3.53Å; F118-F234 HydrophobicContact CD1-CB 4.31Å; F118-F234 HydrophobicContact CD1-CD2 4.44Å; F118-F234 AromaticContact CD2-CD2 3.25Å; F118-F234 HydrophobicContact CD2-CD2 3.25Å; F118-F234 AromaticContact CD2-CE2 3.82Å; F118-F234 HydrophobicContact CD2-CE2 3.82Å; F118-F234 HydrophobicContact CD2-CG 4.02Å; F118-F234 HydrophobicContact CE2-CD2 4.07Å; F118-F234 HydrophobicContact CG-CB 3.99Å; F118-F234 AromaticContact CG-CD2 3.51Å; F118-F234 HydrophobicContact CG-CD2 3.51Å; F118-F234 HydrophobicContact CG-CE2 4.37Å; F118-F234 AromaticContact CG-CG 3.78Å; F118-F234 HydrophobicContact CG-CG 3.78Å
235G27.4Very low29.6Very low72 Ų72110.6 Ų110.674%0.74265%0.649SS**  trans169.7139.1164.900000114.5
236N28.6Very low29.5Very low151 Ų151112.2 Ų112.281%0.80766%0.656SS**  trans-169.1-177178.9-141.86.3000108.2
237P35.6Very low29.2Very low95 Ų95110.6 Ų110.662%0.61766%0.658SS**  cis-136.4-156.7-16.638.8-16.4000114.6
238S30.6Very low29.1Very low88 Ų88111.6 Ų111.662%0.61566%0.664SS**  trans71.4149150.643.70000121.1
239D32.7Very low29.2Very low97 Ų97112.6 Ų112.652%0.51967%0.67SS.*  cis-168.9-177.7-5.4-101-22.5000113.6L103L103-D239 VanDerWaalsContact CD2-O 3.26Å; L103-D239 WeakPolarHBondContact CD2-O 3.39Å
240F31.6Very low29.1Very low63 Ų63111.2 Ų111.228%0.27666%0.661SS.*  trans106.3121.2136.1-68.1-41.4000128.9L103 P104 Q105L103-F240 HydrophobicContact CB-CB 4.36Å; L103-F240 HydrophobicContact CD2-CB 4.34Å; P104-F240 HydrophobicContact CB-CB 4.47Å; P104-F240 HydrophobicContact CB-CD2 3.35Å; P104-F240 HydrophobicContact CB-CE2 3.78Å; P104-F240 HydrophobicContact CB-CG 4Å; Q105-F240 HydrophobicContact CB-CE1 4.49Å; Q105-F240 HydrophobicContact CB-CE2 4.38Å; Q105-F240 HydrophobicContact CB-CZ 4.25Å; Q105-F240 HydrophobicContact CG-CE1 4.31Å; Q105-F240 HydrophobicContact CG-CE2 3.98Å; Q105-F240 HydrophobicContact CG-CZ 3.7Å
241I33.3Very low29.3Very low89 Ų89113.5 Ų113.546%0.45666%0.664SS.*  trans80.4146.3132-59.1-43.8000125.8Q105Q105-I241 VanDerWaalsContact N-CG1 3.33Å; Q105-I241 WeakPolarHBondContact O-CD1 3.39Å; Q105-I241 WeakPolarHBondContact O-CG1 3.31Å
242E31.7Very low29.3Very low151 Ų151113.4 Ų113.471%0.70666%0.66SS**  trans-84.3172.1-169.7-27.4151.589.900115.9
243N30.1Very low29.4Very low117 Ų117115.6 Ų115.663%0.62666%0.663SS**  -176.3156.2104.2-108.8-84.8000118.1
244Q30.1Very low29.5Very low161 Ų161118 Ų11875%0.75267%0.667SS**  trans69115.7147.8-78.4179.266.400124.8
245S25.3Very low29.8Very low91 Ų91124.3 Ų124.364%0.63669%0.687SS**  74.1127.4115.6-58.60000123.7
246L25.6Very low30.1Very low162 Ų162124.4 Ų124.485%0.84869%0.688SS**  trans50.5113.5138.4-60.9169.6000119.4
247S25Very low30.3Very low121 Ų121122.3 Ų122.385%0.84669%0.686SS**  178.8155.3109.2-82.40000114.1
248S24.4Very low30.3Very low97 Ų97125.2 Ų125.268%0.67870%0.696SS**  trans-58151.5171.853.20000114.3
249N30.3Very low30.3Very low159 Ų159129.4 Ų129.485%0.8570%0.703SS**  -142.2149.7124.8-133.8-32.7000113.3
250I27.8Very low30.1Very low112 Ų112131.5 Ų131.557%0.57471%0.714SS**  trans-108.6150.9-176.1-66.2158.7000107
251N34.3Very low30Very low161 Ų161133.7 Ų133.786%0.86174%0.737SS**  trans-167.9113136.5-96-34.9000115
252N28Very low29.7Very low122 Ų122136.8 Ų136.865%0.65275%0.75SS**  trans-54.7154.8174.5-49.4-73.7000115.6
253N30.9Very low29.6Very low150 Ų150137.7 Ų137.780%0.80275%0.751SS**  173145.6123.4-93.9-32.9000112.8
254T30.9Very low29.6Very low104 Ų104137.8 Ų137.864%0.63875%0.752SS**  cis-161.4149.9-27.8-12.10000110.2
255R30.6Very low29.6Very low247 Ų247137.3 Ų137.393%0.93275%0.753SS**  trans62.2154159.2-75.4171.4169.2165.6-4.5118
256G35.4Very low29.8Very low74 Ų74136.2 Ų136.276%0.76376%0.756SS**  cis-161.3161.70.100000113
257S32.9Very low30.1Very low108 Ų108136.8 Ų136.876%0.75575%0.754SS**  trans-102.3164.3-162-43.10000114.8
258N34.3Very low30.5Very low155 Ų155136.9 Ų136.983%0.82975%0.75SS**  trans141.9164131.8-71.2-28.6000113.4
259K31.1Very low30.9Very low176 Ų176136.6 Ų136.677%0.76575%0.748SS**  -177.5146.5-53.4-131.3-168.2175-167.70108.8
260L28.4Very low31.2Very low142 Ų142135.5 Ų135.574%0.74374%0.741SS**  trans81.8135.1154-62162.4000122.1
261S29Very low31.5Very low109 Ų109139.6 Ų139.676%0.76276%0.755SS**  trans64.3160142.156.50000122.7
262E27Very low31.4Very low154 Ų154141.4 Ų141.472%0.7276%0.755SS**  cis172.1162.7-30.7-160.2172169.500107.2
263F31Very low31.7Very low170 Ų170140.8 Ų140.875%0.74676%0.76SS**  trans65.9150.1173.3-69.3-87.9000117.6
264D29.1Very low31.7Very low119 Ų119138.9 Ų138.964%0.63676%0.759SS**  cis-172.1174.1-23-157.3-0.6000112
265I29.8Very low31.7Very low151 Ų151137.9 Ų137.977%0.77476%0.756SS**  trans64.8144.7154.3-72.6151.5000119.2
266G30.1Very low31.8Very low68 Ų68132.3 Ų132.370%0.70175%0.745SS**  trans-165.2-50.9175.100000121.1
267Q31.7Very low31.6Very low174 Ų174135.7 Ų135.781%0.81374%0.744SS**  trans61.8133.1172-73.9-168.9100122.6
268T33.8Very low31.3Very low122 Ų122137.9 Ų137.975%0.74875%0.747SS**  trans75.2153.7138.459.80000123
269S32.7Very low30.9Very low91 Ų91135 Ų13564%0.63674%0.739SS**  cis-177.2170.3-2859.30000114.6
270L35.4Very low30.8Very low136 Ų136131.5 Ų131.571%0.71274%0.737SS**  trans99111148.3-63.9162.7000124.5
271K35.5Very low30.9Very low199 Ų199131.4 Ų131.487%0.86574%0.742SS**  92.4158.4123.6-79-179.8179.3172.60124.3
272K31.7Very low31.2Very low199 Ų199132.2 Ų132.287%0.86575%0.746SS**  trans-161.4149.6-163.4171.2178.5177.6176.70111.6
273S35.2Very low31.8Very low109 Ų109128 Ų12876%0.76273%0.729SS**  trans-144.7151.5161-70.20000107.3
274S30.8Very low32.3Very low109 Ų109123 Ų12376%0.76272%0.719SS**  cis74.8128.639.7-153.70000111.9
275S31.2Very low32.9Very low84 Ų84122.8 Ų122.859%0.58771%0.714SS**  cis-151.3-169.818.836.20000113.8
276D32.7Very low33.4Very low129 Ų129121.5 Ų121.569%0.6971%0.705SS**  trans91.288.4150.7-48.4-49.2000121.8
277I30Very low33.9Very low146 Ų146120.9 Ų120.975%0.74969%0.693SS**  37.4118.6112.4-57.2161.5000115.9
278D26.2Very low34.4Very low154 Ų154117.7 Ų117.782%0.82468%0.681SS**  -175.9-178.666.3-141.1-30.7000114.1
279S26.6Very low34.7Very low94 Ų94117.4 Ų117.466%0.65767%0.666SS**  trans76.995.3157.7-151.30000121.4
280S28.8Very low35.3Very low102 Ų102117 Ų11771%0.71366%0.659SS**  57.784.1128.771.70000121.1
281T31.6Very low35.7Very low141 Ų141113.9 Ų113.987%0.86565%0.653SS**  -141.1138.9126.722.50000107.7D283T281-D283 PolarHBondContact O-N 2.99Å; T281-D283 VanDerWaalsContact O-N 3.13Å
282C35.4Very low35.9Very low125 Ų125109.7 Ų109.785%0.84564%0.644SS**  trans-71.8108.3174.3-164.30000107.6A284C282-A284 PolarHBondContact O-N 3.36Å; C282-A284 VanDerWaalsContact O-N 3.08Å
283D37.8Very low35.9Very low65 Ų65105.9 Ų105.935%0.34863%0.633SS.*  trans-67.1110-177178.222.2000109.3T281 E285 E286 A287 R289T281-D283 PolarHBondContact O-N 2.99Å; T281-D283 VanDerWaalsContact O-N 3.13Å; D283-E285 PolarHBondContact O-N 2.8Å; D283-E285 WeakPolarHBondContact OD1-CB 3.25Å; D283-E285 PolarHBondContact OD1-N 3.11Å; D283-E286 HydrophobicContact CB-CB 3.9Å; D283-E286 WeakPolarHBondContact O-CA 3.26Å; D283-E286 PolarHBondContact O-N 3.25Å; D283-E286 PolarHBondContact OD2-N 3.3Å; D283-E286 VanDerWaalsContact OD2-N 3.15Å; D283-A287 PolarHBondContact O-N 3.34Å; D283-R289 IonicContact OD2-CZ 3.86Å; D283-R289 IonicContact OD2-NH2 2.76Å; D283-R289 PolarHBondContact OD2-NH2 3.24Å
284A42.3Very low35.9Very low67 Ų67104 Ų10455%0.55462%0.618SS**Hα-helixtrans-58-33.2176.900000110.7C282 I288C282-A284 PolarHBondContact O-N 3.36Å; C282-A284 VanDerWaalsContact O-N 3.08Å; A284-I288 WeakPolarHBondContact O-CB 3.27Å; A284-I288 WeakPolarHBondContact O-CD1 3.38Å; A284-I288 WeakPolarHBondContact O-CG1 3.4Å; A284-I288 PolarHBondContact O-N 2.73Å
285E41.3Very low36.5Very low114 Ų114105.7 Ų105.753%0.53362%0.623SS.*Hα-helixtrans-70.3-28.7172.7-70.2-161157.700113.1D283 R289D283-E285 PolarHBondContact O-N 2.8Å; D283-E285 WeakPolarHBondContact OD1-CB 3.25Å; D283-E285 PolarHBondContact OD1-N 3.11Å; E285-R289 VanDerWaalsContact CB-CZ 3.42Å; E285-R289 WeakPolarHBondContact O-CB 3.24Å; E285-R289 WeakPolarHBondContact O-CG 3.43Å; E285-R289 PolarHBondContact O-N 3.01Å; E285-R289 PolarHBondContact O-NE 3.25Å; E285-R289 IonicContact OE2-CZ 3.29Å; E285-R289 VanDerWaalsContact OE2-CZ 3.29Å; E285-R289 IonicContact OE2-NH1 3.13Å; E285-R289 PolarHBondContact OE2-NH1 2.76Å; E285-R289 IonicContact OE2-NH2 2.99Å; E285-R289 PolarHBondContact OE2-NH2 3.44Å
286E40.2Very low36.5Very low124 Ų124109.1 Ų109.158%0.57963%0.63SS**Hα-helixtrans-76.3-37173.9-170.2165.1-145.600111.8D283 I288 R289 T290D283-E286 HydrophobicContact CB-CB 3.9Å; D283-E286 WeakPolarHBondContact O-CA 3.26Å; D283-E286 PolarHBondContact O-N 3.25Å; D283-E286 PolarHBondContact OD2-N 3.3Å; D283-E286 VanDerWaalsContact OD2-N 3.15Å; E286-I288 VanDerWaalsContact C-N 3.35Å; E286-R289 PolarHBondContact O-N 3.18Å; E286-T290 WeakPolarHBondContact O-CB 3.41Å; E286-T290 PolarHBondContact O-N 3.32Å; E286-T290 PolarHBondContact O-OG1 2.87Å
287A40.7Very low36.5Very low54 Ų54106.9 Ų106.945%0.44662%0.623SS.*Hα-helixtrans-61.1-44.3169.600000111.3D283 T290 A291D283-A287 PolarHBondContact O-N 3.34Å; A287-T290 PolarHBondContact O-N 3.21Å; A287-A291 WeakPolarHBondContact O-CB 3.44Å; A287-A291 PolarHBondContact O-N 3Å
288I43.2Very low36.6Very low108 Ų108111.7 Ų111.755%0.55463%0.632SS**Hα-helixtrans-63.4-49172.3-70.3163.9000110.5A284 E286 T290 A291 V292A284-I288 WeakPolarHBondContact O-CB 3.27Å; A284-I288 WeakPolarHBondContact O-CD1 3.38Å; A284-I288 WeakPolarHBondContact O-CG1 3.4Å; A284-I288 PolarHBondContact O-N 2.73Å; E286-I288 VanDerWaalsContact C-N 3.35Å; I288-T290 PolarHBondContact O-N 3.47Å; I288-A291 PolarHBondContact O-N 3.26Å; I288-V292 HydrophobicContact CG2-CG2 3.99Å; I288-V292 WeakPolarHBondContact O-CB 3.49Å; I288-V292 WeakPolarHBondContact O-CG2 3.38Å; I288-V292 PolarHBondContact O-N 3.32Å
289R39.7Very low37Very low115 Ų115106.8 Ų106.843%0.43462%0.617SS.*Hα-helixtrans-56.5-36.6176.4-80.9176.7-87.6-958.5111.4D283 E285 E286 N293D283-R289 IonicContact OD2-CZ 3.86Å; D283-R289 IonicContact OD2-NH2 2.76Å; D283-R289 PolarHBondContact OD2-NH2 3.24Å; E285-R289 VanDerWaalsContact CB-CZ 3.42Å; E285-R289 WeakPolarHBondContact O-CB 3.24Å; E285-R289 WeakPolarHBondContact O-CG 3.43Å; E285-R289 PolarHBondContact O-N 3.01Å; E285-R289 PolarHBondContact O-NE 3.25Å; E285-R289 IonicContact OE2-CZ 3.29Å; E285-R289 VanDerWaalsContact OE2-CZ 3.29Å; E285-R289 IonicContact OE2-NH1 3.13Å; E285-R289 PolarHBondContact OE2-NH1 2.76Å; E285-R289 IonicContact OE2-NH2 2.99Å; E285-R289 PolarHBondContact OE2-NH2 3.44Å; E286-R289 PolarHBondContact O-N 3.18Å; R289-N293 VanDerWaalsContact O-CB 3.23Å; R289-N293 WeakPolarHBondContact O-CB 3.19Å; R289-N293 PolarHBondContact O-N 3.47Å; R289-N293 PolarHBondContact O-ND2 2.98Å
290T45.6Very low37.4Very low82 Ų82108.8 Ų108.850%0.50362%0.619SS.*Hα-helixtrans-73.2-50.6178.1-55.20000110.9E286 A287 I288 V292 N293 T294E286-T290 WeakPolarHBondContact O-CB 3.41Å; E286-T290 PolarHBondContact O-N 3.32Å; E286-T290 PolarHBondContact O-OG1 2.87Å; A287-T290 PolarHBondContact O-N 3.21Å; I288-T290 PolarHBondContact O-N 3.47Å; T290-V292 PolarHBondContact O-N 3.3Å; T290-N293 CarbonylContact O-C 3.4Å; T290-N293 PolarHBondContact O-N 3.11Å; T290-N293 VanDerWaalsContact O-N 3.08Å; T290-T294 PolarHBondContact O-N 2.98Å
291A42.5Very low37.5Very low71 Ų71111.3 Ų111.359%0.58762%0.619SS**Hα-helixtrans-63.4-26.9177.800000113.7A287 I288 T294A287-A291 WeakPolarHBondContact O-CB 3.44Å; A287-A291 PolarHBondContact O-N 3Å; I288-A291 PolarHBondContact O-N 3.26Å; A291-T294 PolarHBondContact O-OG1 2.85Å; A291-T294 VanDerWaalsContact O-OG1 3.08Å
292V39.8Very low37.8Very low111 Ų111110 Ų11067%0.67361%0.614SS**Hα-helixtrans-86.5-18.7175.7174.30000112.4I288 T290I288-V292 HydrophobicContact CG2-CG2 3.99Å; I288-V292 WeakPolarHBondContact O-CB 3.49Å; I288-V292 WeakPolarHBondContact O-CG2 3.38Å; I288-V292 PolarHBondContact O-N 3.32Å; T290-V292 PolarHBondContact O-N 3.3Å
293N31.8Very low38Very low119 Ų119109.1 Ų109.164%0.63660%0.604SS**Hα-helixtrans-104.1-4174.9-74.6-72.8000114.6R289 T290 T295R289-N293 VanDerWaalsContact O-CB 3.23Å; R289-N293 WeakPolarHBondContact O-CB 3.19Å; R289-N293 PolarHBondContact O-N 3.47Å; R289-N293 PolarHBondContact O-ND2 2.98Å; T290-N293 CarbonylContact O-C 3.4Å; T290-N293 PolarHBondContact O-N 3.11Å; T290-N293 VanDerWaalsContact O-N 3.08Å; N293-T295 PolarHBondContact O-N 2.62Å
294T35.7Very low38Very low70 Ų70110.2 Ų110.243%0.42961%0.61SS.*  trans-67.897.5166.143.10000109.7T290 A291 E296T290-T294 PolarHBondContact O-N 2.98Å; A291-T294 PolarHBondContact O-OG1 2.85Å; A291-T294 VanDerWaalsContact O-OG1 3.08Å; T294-E296 PolarHBondContact O-N 2.88Å; T294-E296 VanDerWaalsContact O-N 3.11Å
295T42.8Very low37.6Very low144 Ų144116.2 Ų116.288%0.88363%0.626SS**  trans-73.310.5176.449.10000113.9N293N293-T295 PolarHBondContact O-N 2.62Å
296E31.1Very low37.2Very low156 Ų156114.5 Ų114.573%0.72963%0.627SS**SBendtrans-88.3120.4179.9-166161.7-13200110T294 W298T294-E296 PolarHBondContact O-N 2.88Å; T294-E296 VanDerWaalsContact O-N 3.11Å; E296-W298 PolarHBondContact O-N 3.03Å; E296-W298 VanDerWaalsContact O-N 3.1Å
297P33Very low36.9Very low82 Ų82112.9 Ų112.953%0.53263%0.625SS.*  trans-76.1105.2-171.429.2-34.3000111.7G299 I300P297-G299 PolarHBondContact O-N 3.41Å; P297-I300 HydrophobicContact CG-CD1 4.1Å; P297-I300 HydrophobicContact CG-CG1 4.15Å
298W31.8Very low36.5Very low248 Ų248115.5 Ų115.594%0.93964%0.638SS**THydrogen-bonded Turntrans-52.9109.5164.1-7071.2000109.6E296E296-W298 PolarHBondContact O-N 3.03Å; E296-W298 VanDerWaalsContact O-N 3.1Å
299G35Very low36.5Very low51 Ų51120.7 Ų120.753%0.52665%0.651SS.*THydrogen-bonded Turntrans122.420.2174.600000118.1P297 H301P297-G299 PolarHBondContact O-N 3.41Å; G299-H301 CarbonylContact C-O 3.55Å; G299-H301 VanDerWaalsContact C-O 3.32Å; G299-H301 WeakPolarHBondContact CA-O 3.39Å; G299-H301 CarbonylContact O-C 3.47Å; G299-H301 PolarHBondContact O-N 3.19Å
300I35.8Very low36.1Very low136 Ų136120.4 Ų120.470%0.69766%0.658SS**SBendtrans-59-24.2168.7-63.2179.7000111.8P297P297-I300 HydrophobicContact CG-CD1 4.1Å; P297-I300 HydrophobicContact CG-CG1 4.15Å
301H31.2Very low35.3Very low154 Ų154120.7 Ų120.771%0.71366%0.662SS**SBendtrans-100.7136.1159.5-62-79.8000109.2G299 V303G299-H301 CarbonylContact C-O 3.55Å; G299-H301 VanDerWaalsContact C-O 3.32Å; G299-H301 WeakPolarHBondContact CA-O 3.39Å; G299-H301 CarbonylContact O-C 3.47Å; G299-H301 PolarHBondContact O-N 3.19Å; H301-V303 PolarHBondContact O-N 3.44Å
302P37.5Very low34.8Very low115 Ų115121.6 Ų121.675%0.74766%0.664SS**  trans-59128.1168.326.8-33.1000108.2D304P302-D304 PolarHBondContact O-N 2.88Å
303V38.9Very low34.4Very low105 Ų105124.5 Ų124.564%0.63667%0.671SS**  trans-63.5106.1175.9177.80000107.4H301 Q305 W309H301-V303 PolarHBondContact O-N 3.44Å; V303-Q305 PolarHBondContact O-N 2.85Å; V303-W309 HydrophobicContact CG1-CZ2 4.47Å
304D37.1Very low34.4Very low89 Ų89123.1 Ų123.148%0.47668%0.675SS.*  trans-67102.9-175.7-177.1-6.7000109.6P302 S306 T307P302-D304 PolarHBondContact O-N 2.88Å; D304-S306 PolarHBondContact O-N 3.14Å; D304-S306 WeakPolarHBondContact OD1-CA 3.41Å; D304-S306 VanDerWaalsContact OD1-CB 3.27Å; D304-S306 WeakPolarHBondContact OD1-CB 3.47Å; D304-S306 PolarHBondContact OD1-N 3.3Å; D304-S306 PolarHBondContact OD1-OG 3.14Å; D304-S306 PolarHBondContact OD2-OG 3.47Å; D304-T307 VanDerWaalsContact O-CB 3.31Å; D304-T307 WeakPolarHBondContact O-CB 3.39Å; D304-T307 PolarHBondContact O-N 3.43Å
305Q35.7Very low34.1Very low193 Ų193126.8 Ų126.890%0.90269%0.693SS**THydrogen-bonded Turntrans-66.4-5.1179.4-64-174.2-1100113.4V303V303-Q305 PolarHBondContact O-N 2.85Å
306S32.6Very low33.4Very low78 Ų78122.5 Ų122.555%0.54568%0.677SS.*THydrogen-bonded Turntrans-84.1-9.2166.679.10000113.7D304 P308D304-S306 PolarHBondContact O-N 3.14Å; D304-S306 WeakPolarHBondContact OD1-CA 3.41Å; D304-S306 VanDerWaalsContact OD1-CB 3.27Å; D304-S306 WeakPolarHBondContact OD1-CB 3.47Å; D304-S306 PolarHBondContact OD1-N 3.3Å; D304-S306 PolarHBondContact OD1-OG 3.14Å; D304-S306 PolarHBondContact OD2-OG 3.47Å; S306-P308 VanDerWaalsContact O-CD 3.25Å; S306-P308 WeakPolarHBondContact O-CD 3.23Å
307T33.1Very low33.3Very low89 Ų89121.8 Ų121.855%0.54668%0.678SS.*SBendtrans-83.9108.2167.1-55.60000109.1D304 W309D304-T307 VanDerWaalsContact O-CB 3.31Å; D304-T307 WeakPolarHBondContact O-CB 3.39Å; D304-T307 PolarHBondContact O-N 3.43Å; T307-W309 PolarHBondContact O-N 3.1Å
308P33.1Very low33Very low110 Ų110124.2 Ų124.271%0.71470%0.696SS**  trans-66.6131.9174.528.4-34000109.9S306 N310S306-P308 VanDerWaalsContact O-CD 3.25Å; S306-P308 WeakPolarHBondContact O-CD 3.23Å; P308-N310 PolarHBondContact O-N 3.27Å; P308-N310 VanDerWaalsContact O-N 3.12Å
309W43.3Very low32.9Very low217 Ų217119.4 Ų119.482%0.82269%0.687SS**  trans-57.8116.1173.4-63.777.8000109.2V303 T307 C311V303-W309 HydrophobicContact CG1-CZ2 4.47Å; T307-W309 PolarHBondContact O-N 3.1Å; W309-C311 VanDerWaalsContact C-N 3.29Å; W309-C311 PolarHBondContact O-N 3.44Å
310N30.3Very low32.5Very low109 Ų109122 Ų12258%0.58370%0.698SS**  trans-79.277.6-176.4-172.821.2000111.2P308 S312 E313P308-N310 PolarHBondContact O-N 3.27Å; P308-N310 VanDerWaalsContact O-N 3.12Å; N310-S312 PolarHBondContact O-N 2.8Å; N310-S312 WeakPolarHBondContact OD1-CB 3.33Å; N310-S312 PolarHBondContact OD1-OG 3.15Å; N310-E313 PolarHBondContact O-N 2.97Å
311C30.2Very low32.2Very low88 Ų88122.5 Ų122.560%0.59570%0.7SS**G310 helixtrans-60.1-8.5-179.8-59.50000114.3W309 E313 A314 N315W309-C311 VanDerWaalsContact C-N 3.29Å; W309-C311 PolarHBondContact O-N 3.44Å; C311-E313 PolarHBondContact O-N 3.13Å; C311-A314 PolarHBondContact O-N 3.29Å; C311-N315 PolarHBondContact O-N 3.26Å
312S31.8Very low32.1Very low89 Ų89123 Ų12362%0.62270%0.703SS**G310 helixtrans-65.1-17.3169.3-58.90000113.9N310N310-S312 PolarHBondContact O-N 2.8Å; N310-S312 WeakPolarHBondContact OD1-CB 3.33Å; N310-S312 PolarHBondContact OD1-OG 3.15Å
313E31.5Very low31.7Very low173 Ų173122.4 Ų122.481%0.80870%0.701SS**G310 helixtrans-86.3-15.7176.5-159.9159.3-143.600112.9N310 C311N310-E313 PolarHBondContact O-N 2.97Å; C311-E313 PolarHBondContact O-N 3.13Å
314A31.6Very low31.2Very low89 Ų89123.5 Ų123.574%0.73671%0.713SS**THydrogen-bonded Turntrans-91.6-19.4171.100000113.2C311C311-A314 PolarHBondContact O-N 3.29Å
315N29.9Very low31Very low148 Ų148122.5 Ų122.579%0.79172%0.724SS**SBendtrans-110.249.1175.8-74.8-32.8000110.7C311C311-N315 PolarHBondContact O-N 3.26Å
316G27.3Very low30.7Very low54 Ų54119.5 Ų119.556%0.55772%0.721SS**  trans-123.6105.6-178.100000112.7
317D29.4Very low30.7Very low140 Ų140123.1 Ų123.175%0.74973%0.733SS**  trans23.5100.8162.3-62.5-33000119L319D317-L319 HydrophobicContact CB-CD1 4.48Å; D317-L319 HydrophobicContact CB-CG 4.39Å; D317-L319 PolarHBondContact O-N 3.31Å
318C26.6Very low30.5Very low134 Ų134125.4 Ų125.491%0.90575%0.747SS**  trans-70.673.7156.8-171.60000110.4
319L30.3Very low30.4Very low146 Ų146123.5 Ų123.576%0.76475%0.747SS**  trans-119110.5167.1-70.5177.6000108.4D317D317-L319 HydrophobicContact CB-CD1 4.48Å; D317-L319 HydrophobicContact CB-CG 4.39Å; D317-L319 PolarHBondContact O-N 3.31Å
320S26.3Very low29.7Very low107 Ų107118.9 Ų118.975%0.74875%0.748SS**  trans-63160.1174.6-48.90000111.6
321I28.9Very low29.7Very low146 Ų146119.7 Ų119.775%0.74976%0.759SS**  trans107.398.6164.9-57162.7000115.3
322H30Very low30Very low165 Ų165120.7 Ų120.776%0.76477%0.765SS**  trans82.9102.5145.3-61.7177.1000122.1
323S28.2Very low29.9Very low102 Ų102122.8 Ų122.871%0.71377%0.774SS**  60.9109.9111.6-510000121.7
324S28.9Very low29.7Very low127 Ų127119.6 Ų119.689%0.88877%0.77SS**  71.2111.1128.9-52.50000120.7
325G32.5Very low29.8Very low68 Ų68124.1 Ų124.170%0.70178%0.776SS**  trans133.8117.9147.200000115.9
326P29Very low29.8Very low130 Ų130122 Ų12284%0.84477%0.768SS**  trans-92.8117.6175.533.7-30000112.1
327I32Very low30Very low155 Ų155124.5 Ų124.580%0.79578%0.778SS**  trans-150.9116.8162.916174000113.2
328T28.8Very low30Very low137 Ų137122.1 Ų122.184%0.8478%0.778SS**  trans16.1130.1139590000120
329G31.9Very low30.1Very low70 Ų70121 Ų12172%0.72277%0.771SS**  trans14689.4139.500000118.4
330S27.7Very low30Very low120 Ų120119.2 Ų119.284%0.83977%0.771SS**  trans52152.5137.1-59.20000122.6
331P30.4Very low30.2Very low126 Ų126124.7 Ų124.782%0.81878%0.775SS**  trans-116-113.9-149.823.62.1000115.6
332P37.8Very low30.4Very low108 Ų108124.3 Ų124.370%0.70177%0.773SS**  -123.7166.9-122.339.8-23.6000115.8
333V28.9Very low30.6Very low134 Ų134122.3 Ų122.381%0.81278%0.777SS**  trans-156.3132.1154.6-99.80000107.9
334S27.9Very low30.8Very low105 Ų105120.8 Ų120.873%0.73478%0.778SS**  57.8123.394.2-49.70000112.7
335E32.4Very low31Very low184 Ų184122.9 Ų122.986%0.8677%0.773SS**  176.3166.487.6-86.6-154.3-157.700109.8
336T30.8Very low31.1Very low103 Ų103125.1 Ų125.163%0.63277%0.769SS**  cis-163159.2-37-49.20000107.1
337S32Very low31.3Very low108 Ų108127.2 Ų127.276%0.75577%0.768SS**  trans66.7137160.7-61.30000118.6
338A27.8Very low31.3Very low90 Ų90124.6 Ų124.674%0.74476%0.761SS**  cis87.1146.427.700000116.2
339S29.7Very low31.5Very low109 Ų109124 Ų12476%0.76276%0.762SS**  trans72.2118.6-170.4-60.40000115.2
340S27.6Very low31.5Very low109 Ų109124.3 Ų124.376%0.76277%0.765SS**  79116.551-63.60000114.2
341R31.6Very low31.4Very low223 Ų223125.1 Ų125.184%0.84277%0.765SS**  173.8127.9124.6-92.7158-162.7-108.12.8115.1
342I32.7Very low31.2Very low138 Ų138124.1 Ų124.171%0.70876%0.761SS**  trans71.5126131.1-61.2168.9000120.4
343S33.8Very low30.7Very low122 Ų122124.6 Ų124.685%0.85376%0.762SS**  trans58135.7156.8-63.90000120.8
344G33Very low30.6Very low70 Ų70125 Ų12572%0.72276%0.758SS**  cis160.3172.9-8.300000114.7
345H32.1Very low30.9Very low171 Ų171128.4 Ų128.479%0.79276%0.763SS**  trans71.7121.7166.1-11642.8000119.2
346N34.8Very low30.9Very low116 Ų116121.1 Ų121.162%0.6273%0.732SS**  trans57.6139138.2-58.9-0.7000120.1
347Q32.8Very low30.7Very low173 Ų173122.6 Ų122.681%0.80874%0.74SS**  cis-153.8-169.14.7-123.1-169.920.500110.2
348P33.9Very low30.7Very low101 Ų101118.1 Ų118.166%0.65671%0.712SS**  trans-115.8179.2-131.345.5-36.1000117.6
349S31.4Very low30.8Very low123 Ų123117.8 Ų117.886%0.8670%0.704SS**  trans75134.7153.3-58.10000119.2
350G31.9Very low31.2Very low77 Ų77122.5 Ų122.579%0.79471%0.714SS**  trans143.761.9161.700000118.5
351V27.3Very low31.4Very low137 Ų137122.4 Ų122.483%0.8371%0.713SS**  trans-1.9130.2158.7175.40000119.4
352S24.7Very low31.1Very low105 Ų105115.7 Ų115.773%0.73470%0.7SS**  trans83.1137.3155.2-70.90000122.4
353T27.4Very low31Very low119 Ų119115 Ų11573%0.7370%0.698SS**  trans78.495.8149.9-52.40000120.2
354I26.1Very low30.7Very low141 Ų141114.2 Ų114.272%0.72368%0.68SS**  trans59.5112.9133.1-59.9173.9000119
355Q34.6Very low30.5Very low177 Ų177113.8 Ų113.883%0.82767%0.666SS**  trans61.9179.8155.3-96.6173.3-53.600117.4
356P33Very low30.3Very low32 Ų32115.7 Ų115.721%0.20867%0.666CS.*  cis-132.1142.6-25.628-9.9000113.5
357T27.7Very low29.9Very low133 Ų133120.9 Ų120.982%0.81668%0.677SS**  trans-135.786.5164.851.40000112.2
358G31.3Very low29.7Very low15 Ų15119.3 Ų119.316%0.15567%0.673CS.*  trans-78.7137.1145.300000110.8S361 S362G358-S361 CarbonylContact C-O 3.56Å; G358-S361 WeakPolarHBondContact CA-O 3.34Å; G358-S362 VanDerWaalsContact C-CA 3.44Å; G358-S362 WeakPolarHBondContact O-CA 3.28Å
359S29.5Very low29.3Very low83 Ų83119.3 Ų119.358%0.5868%0.676SS**THydrogen-bonded Turntrans-169.699.3158.1-95.10000106.7
360Q38.7Very low29.1Very low208 Ų208118 Ų11897%0.97267%0.667SS**THydrogen-bonded Turntrans65.977.4-136.8-52.7177.4-7.200111
361S31.3Very low28.8Very low107 Ų107119 Ų11975%0.74866%0.658SS**THydrogen-bonded Turncis-103142.6-16.345.30000109.1G358G358-S361 CarbonylContact C-O 3.56Å; G358-S361 WeakPolarHBondContact CA-O 3.34Å
362S24.5Very low28.8Very low82 Ų82115.7 Ų115.757%0.57365%0.645SS**THydrogen-bonded Turntrans-76.2152.5-166.549.20000114.2G358G358-S362 VanDerWaalsContact C-CA 3.44Å; G358-S362 WeakPolarHBondContact O-CA 3.28Å
363L30.6Very low29.1Very low124 Ų124114 Ų11465%0.64963%0.633SS**  cis-145.5164.940.4-77163.1000111.1
364H28.5Very low29Very low105 Ų105112.1 Ų112.149%0.48663%0.625SS.*  46.7137.369-57.972.4000114.9
365S29.4Very low29.4Very low60 Ų60115.9 Ų115.942%0.4264%0.636SS.*  cis-164155.1-8.7-126.50000110.6
366R28Very low29Very low211 Ų211112.3 Ų112.380%0.79663%0.631SS**  trans43.7121.7143.2-55.8166.4-149.4-126.20.7121.3
367R24.6Very low29Very low226 Ų226122.5 Ų122.585%0.85367%0.665SS**  66.7147.5121.7-152.5-169.3-165.4-1636119.7
368L29.3Very low29.3Very low139 Ų139122.8 Ų122.873%0.72866%0.662SS**  trans90.9104.9164.7-52.6176.2000118.5
369S25.8Very low29.4Very low102 Ų102129.3 Ų129.371%0.71369%0.692SS**  trans52.3153.5130.360.50000124.5
370S26.8Very low29.5Very low95 Ų95133.3 Ų133.366%0.66470%0.702SS**  trans69.399.8147.749.80000120.8
371T25.6Very low28.8Very low99 Ų99127.5 Ų127.561%0.60768%0.684SS**  43.1119.5126.757.50000120.8Y674T371-Y674 HydrophobicContact CG2-CD2 4.12Å; T371-Y674 HydrophobicContact CG2-CE2 3.77Å
372A28.1Very low28.8Very low67 Ų67129.9 Ų129.955%0.55469%0.688SS**  166152109.400000114.5F673A372-F673 HydrophobicContact CB-CD2 4.04Å
373S29.5Very low29Very low69 Ų69131.8 Ų131.848%0.48370%0.696SS.*  trans45.399.5149.858.90000121.7
374S26.6Very low29.2Very low80 Ų80134.9 Ų134.956%0.55970%0.699SS**  43.9118.8115.3-45.90000121.7
375F33.5Very low29.1Very low219 Ų219135.1 Ų135.196%0.96171%0.71SS**  -156.8126.8125.6-93.3-65.8000109.8
376S27.4Very low29.1Very low103 Ų103137.3 Ų137.372%0.7273%0.725SS**  trans-96.7154.6178.3-55.10000112.3
377R32.2Very low29.2Very low245 Ų245133.7 Ų133.793%0.92572%0.718SS**  trans-156.2114.9144.9-133178.8-92.9-154.4-3.4110.5
378D33.5Very low29.7Very low140 Ų140127.4 Ų127.475%0.74971%0.706SS**  trans-82.8151.8179.3-44.6-97.9000111.3
379L33.9Very low29.9Very low152 Ų152125.6 Ų125.680%0.79670%0.702SS**  trans175.7132.7162.8-84.7139.7000105
380E31Very low30.5Very low167 Ų167124.7 Ų124.778%0.7869%0.69SS**  cis-120.6154.11.5-145.969.3-137.300110.2
381S25.9Very low30.7Very low85 Ų85124.2 Ų124.259%0.59470%0.7SS**  trans-105121.9-162.958.10000116.1
382N31.3Very low31.2Very low158 Ų158123 Ų12385%0.84569%0.693SS**  trans-95.111.1153.5-88-37.1000112.8
383V28.4Very low31.3Very low121 Ų121121.4 Ų121.473%0.73368%0.683SS**SBendtrans-88.8103.3167.61790000107.5P385V383-P385 VanDerWaalsContact O-CD 3.22Å; V383-P385 WeakPolarHBondContact O-CD 3.4Å
384W33.7Very low31.8Very low189 Ų189123.9 Ų123.972%0.71669%0.689SS**  trans-62.6114.2175.8-70.186.2000110.6S386W384-S386 PolarHBondContact O-N 3.25Å; W384-S386 VanDerWaalsContact O-N 3.08Å
385P27.6Very low32.2Very low111 Ų111129.8 Ų129.872%0.72170%0.7SS**SBendtrans-84.387.2178.333.4-28.6000108.8V383V383-P385 VanDerWaalsContact O-CD 3.22Å; V383-P385 WeakPolarHBondContact O-CD 3.4Å
386S28.4Very low32.2Very low105 Ų105123.8 Ų123.873%0.73467%0.674SS**SBendtrans100.6131.9-167.1-46.70000112.5W384W384-S386 PolarHBondContact O-N 3.25Å; W384-S386 VanDerWaalsContact O-N 3.08Å
387E30.7Very low32.6Very low136 Ų136121.7 Ų121.764%0.63666%0.66SS**  trans50112.7177.3-62.2-159.5104.600118.4N390E387-N390 PolarHBondContact OE1-ND2 3.18Å
388P33.5Very low32.9Very low93 Ų93116.2 Ų116.260%0.60465%0.645SS**  trans-67.6152.6150.933-33.2000109.2N390P388-N390 PolarHBondContact O-N 3.4Å
389P35.2Very low32.9Very low101 Ų101115.7 Ų115.766%0.65663%0.633SS**  trans-57.4114.2-178.3-2635000112.3G391P389-G391 PolarHBondContact O-N 3.24Å
390N38.4Very low33Very low83 Ų83115.3 Ų115.344%0.44463%0.627SS.*  trans-58.8135175.3-72.2-49.8000109.6E387 P388 T392E387-N390 PolarHBondContact OE1-ND2 3.18Å; P388-N390 PolarHBondContact O-N 3.4Å; N390-T392 PolarHBondContact O-N 2.99Å
391G29.8Very low33.2Very low86 Ų86109.8 Ų109.889%0.88761%0.607SS**THydrogen-bonded Turntrans-74.246-162.600000116.4P389P389-G391 PolarHBondContact O-N 3.24Å
392T35.6Very low33.9Very low73 Ų73110.8 Ų110.845%0.44861%0.605SS.*THydrogen-bonded Turntrans-132.1-49.4-174.452.90000110.3N390 I394 W395 E396N390-T392 PolarHBondContact O-N 2.99Å; T392-I394 VanDerWaalsContact C-N 3.32Å; T392-I394 PolarHBondContact O-N 3.16Å; T392-W395 PolarHBondContact O-N 3.37Å; T392-E396 VanDerWaalsContact CB-OE1 3.27Å; T392-E396 WeakPolarHBondContact CB-OE1 3.25Å; T392-E396 VanDerWaalsContact CB-OE2 3.29Å; T392-E396 WeakPolarHBondContact CB-OE2 3.31Å; T392-E396 PolarHBondContact O-N 2.9Å
393G31.4Very low33.9Very low34 Ų34106.2 Ų106.235%0.35160%0.595SS.*Hα-helixtrans-60.7-24.1-170.300000117.4S397G393-S397 WeakPolarHBondContact O-CB 3.47Å; G393-S397 PolarHBondContact O-N 3.24Å; G393-S397 PolarHBondContact O-OG 3.36Å
394I40Very low34.2Very low121 Ų121108.8 Ų108.862%0.62160%0.599SS**Hα-helixtrans-77.6-22.7-176.2-57.7176.3000112.5T392 H398T392-I394 VanDerWaalsContact C-N 3.32Å; T392-I394 PolarHBondContact O-N 3.16Å; I394-H398 PolarHBondContact O-CD2 2.91Å
395W33.7Very low34.1Very low204 Ų204108.2 Ų108.277%0.77360%0.597SS**Hα-helixtrans-102.4-29.5172.6-76.181000112.6T392T392-W395 PolarHBondContact O-N 3.37Å
396E35.5Very low34.4Very low92 Ų92109.3 Ų109.343%0.4360%0.602SS.*Hα-helixtrans-71.7-48.7178.6-71.8157-15900111.5T392 H398 Y399 E400T392-E396 VanDerWaalsContact CB-OE1 3.27Å; T392-E396 WeakPolarHBondContact CB-OE1 3.25Å; T392-E396 VanDerWaalsContact CB-OE2 3.29Å; T392-E396 WeakPolarHBondContact CB-OE2 3.31Å; T392-E396 PolarHBondContact O-N 2.9Å; E396-H398 PolarHBondContact O-N 3.17Å; E396-H398 VanDerWaalsContact O-N 3.13Å; E396-Y399 PolarHBondContact O-N 2.71Å; E396-E400 WeakPolarHBondContact O-CB 3.29Å; E396-E400 WeakPolarHBondContact O-CG 3.26Å; E396-E400 PolarHBondContact O-N 3.42Å
397S34.1Very low34.4Very low60 Ų60107.6 Ų107.642%0.4259%0.594SS.*Hα-helixtrans-60.7-27.9177.764.30000113.7G393 Y399 S401G393-S397 WeakPolarHBondContact O-CB 3.47Å; G393-S397 PolarHBondContact O-N 3.24Å; G393-S397 PolarHBondContact O-OG 3.36Å; S397-Y399 VanDerWaalsContact C-N 3.29Å; S397-Y399 PolarHBondContact O-N 2.77Å; S397-S401 VanDerWaalsContact O-CB 3.28Å; S397-S401 WeakPolarHBondContact O-CB 3.3Å; S397-S401 PolarHBondContact O-N 3.07Å; S397-S401 PolarHBondContact O-OG 3.42Å
398H39.8Very low34.2Very low130 Ų130110.7 Ų110.760%0.60260%0.6SS**Hα-helixtrans-72.1-15.5177-91.5-98.6000114.3I394 E396I394-H398 PolarHBondContact O-CD2 2.91Å; E396-H398 PolarHBondContact O-N 3.17Å; E396-H398 VanDerWaalsContact O-N 3.13Å
399Y33.1Very low34Very low129 Ų129117 Ų11751%0.50661%0.612SS.*Hα-helixtrans-120.6-31175.7-79.9-74.6000114.2E396 S397 L402E396-Y399 PolarHBondContact O-N 2.71Å; S397-Y399 VanDerWaalsContact C-N 3.29Å; S397-Y399 PolarHBondContact O-N 2.77Å; Y399-L402 HydrophobicContact CD1-CD1 4.29Å; Y399-L402 PolarHBondContact O-N 3.33Å
400E35.1Very low33.9Very low143 Ų143120.7 Ų120.767%0.66862%0.62SS**Hα-helixtrans-69.9-38175.4-65.6-172.214300111.3E396 L402 G403E396-E400 WeakPolarHBondContact O-CB 3.29Å; E396-E400 WeakPolarHBondContact O-CG 3.26Å; E396-E400 PolarHBondContact O-N 3.42Å; E400-L402 PolarHBondContact O-N 2.96Å; E400-L402 VanDerWaalsContact O-N 3.16Å; E400-G403 PolarHBondContact O-N 3.13Å
401S36.6Very low33.4Very low51 Ų51124.3 Ų124.336%0.35763%0.634SS.*THydrogen-bonded Turntrans-75.3-0.3177.679.80000115S397 R405S397-S401 VanDerWaalsContact O-CB 3.28Å; S397-S401 WeakPolarHBondContact O-CB 3.3Å; S397-S401 PolarHBondContact O-N 3.07Å; S397-S401 PolarHBondContact O-OG 3.42Å; S401-R405 WeakPolarHBondContact O-CD 3.35Å; S401-R405 WeakPolarHBondContact O-CG 3.34Å; S401-R405 PolarHBondContact O-NE 2.7Å
402L39.2Very low33.2Very low107 Ų107127.4 Ų127.456%0.5663%0.63SS**THydrogen-bonded Turntrans-89.1-18.4166.1-76.9170.3000112.8Y399 E400Y399-L402 HydrophobicContact CD1-CD1 4.29Å; Y399-L402 PolarHBondContact O-N 3.33Å; E400-L402 PolarHBondContact O-N 2.96Å; E400-L402 VanDerWaalsContact O-N 3.16Å
403G32.9Very low32.9Very low62 Ų62130 Ų13064%0.63965%0.652SS**THydrogen-bonded Turntrans-65.8-39.7-179.300000113.4E400E400-G403 PolarHBondContact O-N 3.13Å
404E33.9Very low32.7Very low175 Ų175131.8 Ų131.882%0.81867%0.67SS**SBendtrans-97.9-18.3-171.5-58.4-167.9140.200114.2T406E404-T406 VanDerWaalsContact C-N 3.33Å; E404-T406 PolarHBondContact O-N 3.13Å
405R31.7Very low32Very low176 Ų176133.1 Ų133.166%0.66468%0.678SS**THydrogen-bonded Turntrans-84.23.4-174.3-62.5-174.4-153.4-105.37115.5S401S401-R405 WeakPolarHBondContact O-CD 3.35Å; S401-R405 WeakPolarHBondContact O-CG 3.34Å; S401-R405 PolarHBondContact O-NE 2.7Å
406T34.1Very low31.6Very low135 Ų135129.5 Ų129.583%0.82868%0.684SS**THydrogen-bonded Turntrans-77.7-11.4170.5-490000111.7E404E404-T406 VanDerWaalsContact C-N 3.33Å; E404-T406 PolarHBondContact O-N 3.13Å
407A28.2Very low31.1Very low68 Ų68130.1 Ų130.156%0.56269%0.694SS**SBendtrans-96.1138.1166.900000111
408R27.4Very low30.7Very low201 Ų201135.6 Ų135.676%0.75871%0.713SS**  trans70.762.2169.8-57.7168.4154-97.6-2.2117.4
409W28.4Very low30.1Very low225 Ų225135.3 Ų135.385%0.85272%0.721SS**SBendtrans-110.4148136.5-83.487.3000109.5
410H33.5Very low29.7Very low180 Ų180134.3 Ų134.383%0.83373%0.732SS**  trans61.364.9-174-64.9-78.9000117.3
411Q27.8Very low29.3Very low159 Ų159137.1 Ų137.174%0.74375%0.746SS**  -80.1120128-70-173.9-79.800107.6
412N25.1Very low28.8Very low150 Ų150138 Ų13880%0.80276%0.756SS**  168.798.5110.7-157.97.2000111.8
413S28.7Very low28.7Very low129 Ų129137.6 Ų137.690%0.90276%0.76SS**  trans-171.1131.6161.7-78.50000106.9
414G27.1Very low28.4Very low71 Ų71139.1 Ų139.173%0.73275%0.749SS**  cis155.678.20.100000110.2
415N26.5Very low28.1Very low149 Ų149137.6 Ų137.680%0.79775%0.746SS**  trans39.297.8176.3-69.43.8000118T417N415-T417 PolarHBondContact O-N 3.45Å
416S23.9Very low27.9Very low128 Ų128133.1 Ų133.190%0.89574%0.741SS**  trans-79.166160.761.30000111.8
417T26.2Very low27.7Very low105 Ų105133 Ų13364%0.64473%0.731SS**  trans-146.6127.3173.85.80000112.8N415N415-T417 PolarHBondContact O-N 3.45Å
418Q26.2Very low27.6Very low175 Ų175135.4 Ų135.482%0.81873%0.734SS**  trans70.899.6164.9-60.5-175.4-5.900119.1
419T25.7Very low27.7Very low124 Ų124133 Ų13376%0.76173%0.734SS**  trans66.1112.3131.157.50000121.8
420S25.7Very low27.7Very low107 Ų107128.9 Ų128.975%0.74873%0.729SS**  94.6121.8126-63.60000121.5
421Q27Very low28Very low203 Ų203125.3 Ų125.395%0.94972%0.722SS**  trans80.6160.6158.1-60.6-176.15.900117.9
422A25.5Very low28.4Very low69 Ų69122.3 Ų122.357%0.5772%0.716SS**  trans-138.1171.2-146.200000112.5
423P37.2Very low28.4Very low98 Ų98121.3 Ų121.364%0.63671%0.711SS**  trans-98.6-123.6-159.440-37.5000115
424F27.3Very low28.3Very low95 Ų95123.8 Ų123.842%0.41771%0.706SS.*  trans74.7142.6179.8-46.3-83.1000116.2D605 Q606 R607F424-D605 WeakPolarHBondContact CZ-O 3.41Å; F424-Q606 VanDerWaalsContact CE2-C 3.46Å; F424-R607 VanDerWaalsContact CD2-C 3.48Å
425L27.6Very low28.3Very low142 Ų142126.3 Ų126.374%0.74371%0.707SS**  cis-161.8175.8-15-119.2175.3000111.3
426S28Very low28.3Very low82 Ų82123.7 Ų123.757%0.57370%0.7SS**  trans-62.5176175.259.30000116.3
427H28.2Very low28.5Very low134 Ų134123.7 Ų123.762%0.6269%0.691SS**  trans157.6157137.9-89.564.1000109.5
428L25.9Very low28.6Very low118 Ų118126.1 Ų126.162%0.61870%0.695SS**  cis-174.6171.4-30.2-154.473.3000107.6
429I29.6Very low28.9Very low150 Ų150123.2 Ų123.277%0.76969%0.689SS**  trans88.8145.1158-59.3151.8000118.9
430N28.5Very low29.2Very low138 Ų138121.5 Ų121.574%0.73868%0.682SS**  trans-154.4-173.3-163.2-166.326.4000108.3
431P40.9Very low29.3Very low105 Ų105120.8 Ų120.868%0.68267%0.667SS**  -88.4-92.8-54.725.8-8.8000111.4
432P35.2Very low29.7Very low96 Ų96114.3 Ų114.362%0.62364%0.642SS**  cis-134.2166.5-18.438.8-19.4000118.1
433N26.1Very low29.9Very low130 Ų130116.6 Ų116.670%0.69565%0.649SS**  trans76.7105.8139.6-70.7-0.1000126.2
434F25.3Very low29.8Very low180 Ų180119.2 Ų119.279%0.78966%0.656SS**  83.8157.1115.7-80.5-55000125.4
435T27.9Very low29.9Very low124 Ų124124.8 Ų124.876%0.76167%0.674SS**  trans69.5114174.6640000116
436S27.4Very low30.1Very low94 Ų94122.9 Ų122.966%0.65767%0.673SS**  cis93.1121.233.176.10000114.5
437N27.9Very low30.2Very low129 Ų129129.1 Ų129.169%0.6968%0.684SS**  trans179.8138.9135-100.1-40000113.1
438Q28.1Very low30.4Very low156 Ų156128.7 Ų128.773%0.72969%0.693SS**  trans65.6150.4135.3-61.8169.728.600118.8
439T31.7Very low30.8Very low114 Ų114128.4 Ų128.470%0.69969%0.689SS**  cis-160.6155.7-3.97.40000111.6
440S32.2Very low30.8Very low87 Ų87129.8 Ų129.861%0.60869%0.692SS**  trans61.214115649.90000119.7
441H27.8Very low30.9Very low93 Ų93126.2 Ų126.243%0.43169%0.688SS.*  cis101.7145.725.7-83.1-72.6000115.1L1335 S1336H441-L1335 PolarHBondContact CE1-O 3.31Å; H441-L1335 PolarHBondContact ND1-O 3.28Å; H441-S1336 VanDerWaalsContact CE1-C 3.45Å; H441-S1336 WeakPolarHBondContact CE1-CB 3.15Å; H441-S1336 PolarHBondContact CE1-OG 3.3Å; H441-S1336 VanDerWaalsContact CE1-OG 3.3Å; H441-S1336 PolarHBondContact NE2-OG 3.32Å
442P36.7Very low30.3Very low66 Ų66129.9 Ų129.943%0.42970%0.696SS.*  -130.4-137.6-120.246.3-31.1000111.4L1335P442-L1335 HydrophobicContact CB-CB 4.18Å; P442-L1335 WeakPolarHBondContact CG-O 3.29Å
443T29.5Very low30.1Very low118 Ų118132.6 Ų132.672%0.72470%0.704SS**  trans90.5132163.8-32.20000114.9
444I34.3Very low30.3Very low153 Ų153132.1 Ų132.179%0.78571%0.708SS**  trans149.3137.6135-81.3166000111.1
445R29.9Very low30.7Very low211 Ų211129.1 Ų129.180%0.79671%0.707SS**  cis-171.8108-17.8-171.2176.8-161.4179.66.1113.3
446S31.2Very low30.6Very low103 Ų103128.2 Ų128.272%0.7271%0.705SS**  trans65.1152137.5-47.60000124.3
447R30Very low30.6Very low212 Ų212128.8 Ų128.880%0.871%0.705SS**  trans72158.3153.9-78.3174.2161.6171.3-2.8117.4Q449R447-Q449 VanDerWaalsContact NE-OE1 3.08Å
448P33.3Very low30.7Very low126 Ų126130.8 Ų130.882%0.81871%0.711SS**  cis-114.3-171.4-1.114.710.3000113.2
449Q33.4Very low30.7Very low112 Ų112127.5 Ų127.552%0.52371%0.705SS.*  -166.2145.8-56.1-147.6174.5-115.200110.5R447R447-Q449 VanDerWaalsContact NE-OE1 3.08Å
450Q30.4Very low30.6Very low178 Ų178129.9 Ų129.983%0.83271%0.706SS**  trans65.1157.1169.4-65.2148.3-64.700116.7
451G30.8Very low30.5Very low63 Ų63136.7 Ų136.765%0.64972%0.718SS**  cis-173.9126.6-9.700000108.5
452Q28Very low30.6Very low182 Ų182135.7 Ų135.785%0.8573%0.733SS**  84.3135.195.1-161.9-174.4-6.500114.3
453L29.7Very low30.3Very low154 Ų154139.6 Ų139.681%0.80675%0.749SS**  trans88.7150.1175.4-51.4-178.6000117.7
454P30.9Very low30.3Very low119 Ų119140.4 Ų140.477%0.77375%0.749SS**  trans-127.8-148.2-161.437.4-12.9000112.5
455P33.9Very low30Very low117 Ų117144.3 Ų144.376%0.7675%0.754SS**  -98153.7-109.839.1-26.2000115.2
456S25.9Very low29.9Very low105 Ų105139.1 Ų139.173%0.73476%0.756SS**  trans177.9151.5139.951.90000113.7
457T27.8Very low30Very low106 Ų106140.3 Ų140.365%0.6576%0.759SS**  trans48.3124.614552.30000122.4
458E30.2Very low29.9Very low172 Ų172136.8 Ų136.880%0.80476%0.763SS**  trans71.1156.8135.5-64.2173.8-158.400119.1
459S26.6Very low29.8Very low87 Ų87133.3 Ų133.361%0.60875%0.75SS**  cis-167.5174.1-24.7-97.30000110.6
460F30.5Very low29.6Very low164 Ų164134.3 Ų134.372%0.71976%0.764SS**  trans85.6116.5157.3-62.5-67.3000123.2
461R29.7Very low29.5Very low229 Ų229132.3 Ų132.386%0.86476%0.758SS**  trans68.1133.3133-63.3167.8-172.6-96.50.3120
462G31Very low29.4Very low73 Ų73139.6 Ų139.675%0.75377%0.772SS**  trans-166.5-24175.600000119.5
463I29.9Very low29.6Very low148 Ų148135.6 Ų135.676%0.75976%0.762SS**  trans44.6103.5167.1-31.5175.4000118.4
464N29.9Very low29.5Very low134 Ų134137 Ų13772%0.71777%0.769SS**  169.5139.5117.4-98.3-76.4000115.2
465R27.8Very low29.5Very low235 Ų235134.9 Ų134.989%0.88777%0.769SS**  trans50.6101.1149.3-63.1179.3-177.7-129.9-3120.1
466A27.3Very low29.1Very low102 Ų102138.3 Ų138.384%0.84378%0.775SS**  trans-144.3157.8148.100000111.5
467V32.3Very low29.3Very low129 Ų129138.7 Ų138.778%0.78278%0.775SS**  trans-20.5139.6174.7-173.30000117.3G469V467-G469 PolarHBondContact O-N 2.89Å
468P29.4Very low29.6Very low137 Ų137139.6 Ų139.689%0.8978%0.783SS**SBendtrans-72.990.2178.331-35.9000112.9
469G29.7Very low29.4Very low54 Ų54136.6 Ų136.656%0.55778%0.781SS**  trans-163.7124171.200000113.1V467V467-G469 PolarHBondContact O-N 2.89Å
470T29.1Very low29.5Very low132 Ų132139.6 Ų139.681%0.8179%0.79SS**SBendtrans58.7126.1166.852.30000120.5
471I29.8Very low29.3Very low136 Ų136136.2 Ų136.270%0.69779%0.786SS**  trans71.2118149.2-56.6157.4000118.6
472F27.4Very low29.3Very low216 Ų216129.3 Ų129.395%0.94777%0.773SS**  trans-144.5131.3135.9-85.1-70.2000110.3
473P33.3Very low29Very low99 Ų99132.8 Ų132.864%0.64378%0.78SS**  trans-106.8164.7176.239.5-33.3000112.8
474L27.8Very low28.9Very low184 Ų184133.7 Ų133.796%0.96378%0.783SS**  trans-174.3159.6141.2-127.970.7000111.7
475G29.3Very low28.8Very low74 Ų74133 Ų13376%0.76378%0.779SS**  trans113.796.5160.300000116.5
476Q26.5Very low29Very low189 Ų189128.2 Ų128.288%0.88377%0.77SS**PPolyproline II helixtrans-85.3134.8163.9-64.4167.4-91.500110.4
477P30.8Very low29.1Very low112 Ų112129.4 Ų129.473%0.72776%0.763SS**PPolyproline II helixtrans-79.7141.514132.9-29.1000109.2S479P477-S479 PolarHBondContact O-N 3.31Å
478P32.8Very low29.2Very low126 Ų126129 Ų12982%0.81876%0.76SS**PPolyproline II helixtrans-71.1131.6178.128.8-33.8000111.2
479S26.8Very low29Very low109 Ų109131.7 Ų131.776%0.76275%0.753SS**PPolyproline II helixtrans-72.3125.2171.752.60000111.3P477P477-S479 PolarHBondContact O-N 3.31Å
480N27.4Very low29Very low149 Ų149134.3 Ų134.380%0.79776%0.76SS**  trans-161.1111.7132.3-115.6-20.5000116.6
481S27.3Very low28.9Very low93 Ų93133.1 Ų133.165%0.6575%0.748SS**  74.1158128.4810000122
482S29.7Very low28.9Very low85 Ų85135.7 Ų135.759%0.59475%0.754SS**  trans75.551.6145.4-530000118.9M484S482-M484 PolarHBondContact O-N 3.37Å
483V25.2Very low29Very low146 Ų146127.9 Ų127.989%0.88574%0.735SS**  25.190.4114.8-169.10000115.4
484M26.8Very low28.8Very low166 Ų166126.3 Ų126.382%0.81874%0.737SS**  trans-162.5151165.1-110.5-178.6-77.900105.9S482S482-M484 PolarHBondContact O-N 3.37Å
485N27.9Very low28.9Very low120 Ų120124.8 Ų124.864%0.64273%0.729SS**  cis-155.9177.3-3.3-167.1-4.1000107
486L31.8Very low28.7Very low134 Ų134129.1 Ų129.170%0.70273%0.729SS**  trans70.4118.9169.4-49.1172000114.1
487N30.9Very low28.8Very low128 Ų128125.3 Ų125.368%0.68472%0.721SS**  70.9135.252.2-59-12.9000113.8
488T34.7Very low28.9Very low119 Ų119127.6 Ų127.673%0.7373%0.725SS**  trans44.8113.6145.255.10000119.9
489R23.5Very low28.6Very low194 Ų194124.5 Ų124.573%0.73272%0.716SS**  35.6124.5127.7-59.5175177.8-75.76.8117.2I491R489-I491 HydrophobicContact CB-CG1 4.22Å; R489-I491 HydrophobicContact CG-CD1 4.5Å; R489-I491 HydrophobicContact CG-CG1 4.23Å
490P29.8Very low28.8Very low109 Ų109124.9 Ų124.971%0.70872%0.716SS**  -99.5149.487.325.8-33.6000110.9F492P490-F492 HydrophobicContact CB-CD2 4.03Å
491I27Very low28.9Very low108 Ų108123.8 Ų123.855%0.55472%0.715SS**  cis39.266.317.1-43.9-172.7000113.1R489R489-I491 HydrophobicContact CB-CG1 4.22Å; R489-I491 HydrophobicContact CG-CD1 4.5Å; R489-I491 HydrophobicContact CG-CG1 4.23Å
492F31.3Very low29Very low189 Ų189125.9 Ų125.983%0.82972%0.719SS**  -110.3118.8110.9-77.7-86.8000105P490P490-F492 HydrophobicContact CB-CD2 4.03Å
493G28.5Very low29.1Very low53 Ų53125.3 Ų125.355%0.54672%0.715SS.*  cis67.324.518.600000111.2N495G493-N495 PolarHBondContact O-N 3.47Å
494G28.4Very low29.1Very low66 Ų66125.3 Ų125.368%0.6871%0.71SS**  trans-62.7101.9161.900000107.9H496G494-H496 PolarHBondContact O-N 2.97Å
495N29.8Very low29.3Very low152 Ų152126 Ų12681%0.81371%0.713SS**  trans-60.9131.8179.5-103.6-2.8000110.5G493G493-N495 PolarHBondContact O-N 3.47Å
496H25.7Very low29.5Very low165 Ų165126.7 Ų126.776%0.76472%0.721SS**  trans-50.8171.2152.1-26-88.5000111.3G494G494-H496 PolarHBondContact O-N 2.97Å
497P29.8Very low29.5Very low109 Ų109123.5 Ų123.571%0.70872%0.721SS**  cis-125-131.5-3.237-17.4000110.5
498I32.7Very low29.6Very low159 Ų159123.2 Ų123.282%0.81572%0.724SS**  trans71.6107.3175.9-49.9163.2000112.3
499G25.7Very low29.5Very low61 Ų61119.6 Ų119.663%0.62971%0.711SS**  cis73.9156.3-0.600000115.4
500P31.6Very low30Very low117 Ų117113.5 Ų113.576%0.7671%0.708SS**  cis-112-140.4-27.939.6-24.9000109.4
501V28.5Very low30.1Very low127 Ų127109.8 Ų109.877%0.7769%0.69SS**  trans61.5151.9170.1-81.30000117.6
502N29.6Very low30.4Very low136 Ų136110.6 Ų110.673%0.72771%0.705SS**  cis-141.6166.23.2-146.7-0.9000114.8
503S31.5Very low30.5Very low73 Ų73105 Ų10551%0.5170%0.701SS.*  trans-4.2148.5152.364.30000121.7
504N25.7Very low30.7Very low146 Ų146106.7 Ų106.778%0.78172%0.718SS**  5.1127.5124.1-46.4-18.1000117.2
505M31.2Very low30.8Very low182 Ų182107.3 Ų107.390%0.89772%0.724SS**  -171.3121.9125.1-98.2170.6-167.200107.6
506V32Very low30.9Very low133 Ų133105.4 Ų105.481%0.80672%0.723SS**  76.1107.273.1172.70000113.2
507G32.1Very low31.1Very low68 Ų68101.7 Ų101.770%0.70172%0.715SS**  trans79.2169.3149.900000118.1
508T32.6Very low31Very low122 Ų122107 Ų10775%0.74872%0.721SS**  cis-161.1139-17.8-58.30000107.8
509G32.3Very low30.8Very low43 Ų43106.9 Ų106.944%0.44372%0.722SS.*  trans84169.2178.800000113.6
510G33.6Very low30.9Very low65 Ų65113.1 Ų113.167%0.6773%0.732SS**  cis-156.113.211.200000116.9
511G32.3Very low30.8Very low32 Ų32113.2 Ų113.233%0.3373%0.733SS.*  trans91.4164.1158.500000119N975G511-N975 WeakPolarHBondContact CA-OD1 3.49Å
512S34.2Very low30.8Very low125 Ų125114 Ų11487%0.87473%0.731SS**  trans69.9129171.4-157.20000119.2
513G33.1Very low30.8Very low72 Ų72111.7 Ų111.774%0.74273%0.731SS**  trans110.358139.700000120.8
514G32.3Very low30.6Very low88 Ų88114.6 Ų114.691%0.90774%0.741SS**  trans48.2107.2137.900000122.8
515G29.8Very low30.7Very low79 Ų79113.4 Ų113.481%0.81474%0.741SS**  109.9160.2128.600000119.8
516S33.2Very low30.7Very low111 Ų111110.3 Ų110.378%0.77673%0.732SS**  trans82.2122.9166.1-153.10000120.1
517S29.7Very low30.5Very low87 Ų87111.7 Ų111.761%0.60874%0.735SS**  trans75.4122.9136.7-680000123.1
518R27.7Very low30.5Very low221 Ų221115.5 Ų115.583%0.83474%0.739SS**  trans65.4114.1135.7-57.8168.5-167.5-153.60.8119.3
519N28.4Very low30.4Very low156 Ų156112.8 Ų112.883%0.83474%0.735SS**  -166.5154.7101.4-99.6-10000112.4
520F27Very low30.3Very low193 Ų193117.4 Ų117.485%0.84676%0.76SS**  trans-80.8141.2175.8-71.5-94.8000111.3I522F520-I522 PolarHBondContact O-N 3.03Å
521P29.8Very low30Very low118 Ų118117.2 Ų117.277%0.76676%0.758SS**  trans-73.6106.2155.930.8-29.5000108.7A523P521-A523 VanDerWaalsContact C-N 3.32Å; P521-A523 PolarHBondContact O-N 3.4Å
522I28.5Very low29.9Very low144 Ų144122.1 Ų122.174%0.73878%0.782SS**  trans-70.994.9165.9-64.2167.6000107.1F520F520-I522 PolarHBondContact O-N 3.03Å
523A29.9Very low29.7Very low88 Ų88121.2 Ų121.273%0.72778%0.775SS**  trans-69.9126.2163.200000108.2P521P521-A523 VanDerWaalsContact C-N 3.32Å; P521-A523 PolarHBondContact O-N 3.4Å
524N26.4Very low29.6Very low133 Ų133129.3 Ų129.371%0.71178%0.783SS**  trans-55.2147.2175.6-89.2-15.7000110.9V526N524-V526 PolarHBondContact O-N 3.24Å
525P28.5Very low29.6Very low121 Ų121129.1 Ų129.179%0.78677%0.766SS**  trans-61.1108.3171.826.5-33.7000109.3N527P525-N527 PolarHBondContact O-N 2.99Å
526V31.1Very low29.5Very low118 Ų118135.8 Ų135.872%0.71577%0.768SS**  trans-71.7102.6176.3-167.60000107.5N524 L528N524-V526 PolarHBondContact O-N 3.24Å; V526-L528 VanDerWaalsContact C-N 3.29Å; V526-L528 HydrophobicContact CG1-CD1 4.18Å; V526-L528 HydrophobicContact CG1-CG 4.04Å; V526-L528 PolarHBondContact O-N 3.24Å
527N27.2Very low29.4Very low161 Ų161136.7 Ų136.786%0.86177%0.769SS**  trans-71.780.8-176.5-174.1-0.5000110.9P525P525-N527 PolarHBondContact O-N 2.99Å
528L33.7Very low29.3Very low149 Ų149138.6 Ų138.678%0.7878%0.783SS**  trans-95.9109.3177.9-78.2168.4000111.4V526V526-L528 VanDerWaalsContact C-N 3.29Å; V526-L528 HydrophobicContact CG1-CD1 4.18Å; V526-L528 HydrophobicContact CG1-CG 4.04Å; V526-L528 PolarHBondContact O-N 3.24Å
529G30.1Very low29.4Very low65 Ų65131.6 Ų131.667%0.6778%0.78SS**  trans28110.2150.500000119.4G531G529-G531 PolarHBondContact O-N 3.42Å
530S29Very low29.7Very low139 Ų139130.4 Ų130.497%0.97278%0.778SS**  trans-60.3128.3165.7176.80000112.7
531G28.6Very low29.9Very low61 Ų61129.6 Ų129.663%0.62978%0.777SS**  trans114.2124176.400000111.8G529G529-G531 PolarHBondContact O-N 3.42Å
532V30.3Very low30Very low135 Ų135128.7 Ų128.782%0.81877%0.771SS**  cis-122.5119.228.8-179.10000112.1
533S30Very low30.2Very low106 Ų106128 Ų12874%0.74177%0.773SS**  trans-98.9130.7168.448.80000111
534W31.3Very low30.2Very low242 Ų242130.9 Ų130.992%0.91778%0.776SS**  trans-76123.6175.9-72.191.5000110.5Y536W534-Y536 PolarHBondContact O-N 3.45Å
535P31.5Very low30.6Very low84 Ų84128.8 Ų128.855%0.54577%0.77SS.*  trans-87.998.3-168.532.6-35.1000113.5
536Y27.4Very low30.8Very low219 Ų219128.8 Ų128.886%0.85977%0.773SS**  trans-104.795.5153.3-103.1-86.5000109.6W534W534-Y536 PolarHBondContact O-N 3.45Å
537T31.5Very low30.9Very low130 Ų130128.5 Ų128.580%0.79877%0.772SS**  trans-109.2114.1-178.953.90000111.1
538S27.6Very low31.1Very low127 Ų127127.1 Ų127.189%0.88877%0.771SS**  trans-125.999.9168.855.50000109.6
539G30.5Very low31Very low75 Ų75123.5 Ų123.577%0.77377%0.77SS**  trans-172143.1-178.900000110.5
540T34Very low31.1Very low130 Ų130128.9 Ų128.980%0.79878%0.781SS**  trans-116.1129.9-159.3480000114.9
541Q30.7Very low31Very low176 Ų176129 Ų12982%0.82277%0.771SS**  trans68.9162140.4-66-99.2-53.200118.4
542P32.3Very low31.2Very low100 Ų100135.8 Ų135.865%0.64978%0.783SS**  cis-139.2-176.2-27.730.5-8.1000116.2
543V33.3Very low31.1Very low129 Ų129132.8 Ų132.878%0.78278%0.78SS**  trans90.281.2156.6-158.60000121.3
544D29.1Very low31Very low148 Ų148133.8 Ų133.879%0.79178%0.777SS**  54.1166.3103.5-121.132.4000123
545P35.8Very low31.1Very low90 Ų90132.3 Ų132.358%0.58478%0.777SS**  -140.7174.3-98.244.1-25.7000117.9
546S32.1Very low31Very low121 Ų121131.9 Ų131.985%0.84678%0.776SS**  trans-164.1125.9151.3-82.80000111.6
547V32.5Very low31.1Very low112 Ų112130 Ų13068%0.67977%0.768SS**  trans-148.7123.5-167.1173.70000110
548P32.9Very low30.8Very low132 Ų132135.2 Ų135.286%0.85777%0.773SS**  -146.5178.587.739.8-22.6000114.7
549G29.9Very low31Very low72 Ų72135 Ų13574%0.74277%0.769SS**  cis150.9110-10.200000114
550I33.7Very low30.9Very low178 Ų178135.1 Ų135.191%0.91377%0.77SS**  trans-129.3143.1169.4-56178.4000107.8
551N27.3Very low30.8Very low142 Ų142138.3 Ų138.376%0.75978%0.775SS**  trans-129119.6-154.6-176.97.7000113.8
552F31.2Very low30.7Very low203 Ų203137 Ų13789%0.8977%0.774SS**  trans-147.4123.3163.6-90.2-73.6000113.1N554F552-N554 PolarHBondContact O-N 2.89Å
553G28.5Very low30.4Very low72 Ų72139.1 Ų139.174%0.74278%0.777SS**  trans85.2-0.3135.900000120.7K555G553-K555 PolarHBondContact O-N 2.94Å
554N28.9Very low30.3Very low128 Ų128139.8 Ų139.868%0.68478%0.776SS**  trans-74.4114.2-177.2-168.8-0.2000113.1F552 S556F552-N554 PolarHBondContact O-N 2.89Å; N554-S556 PolarHBondContact ND2-OG 3.03Å; N554-S556 PolarHBondContact O-N 3.35Å; N554-S556 VanDerWaalsContact OD1-CB 3.25Å; N554-S556 WeakPolarHBondContact OD1-CB 3.47Å; N554-S556 PolarHBondContact OD1-N 3.2Å; N554-S556 PolarHBondContact OD1-OG 2.9Å
555K32Very low30.3Very low210 Ų210143.3 Ų143.391%0.91378%0.778SS**  trans-96.751.8169.4-71.8-168.8176.9-1770112.2G553G553-K555 PolarHBondContact O-N 2.94Å
556S29.4Very low30.2Very low76 Ų76146.8 Ų146.853%0.53179%0.792SS.*  trans-83.5151.1174.6-75.90000113.1N554N554-S556 PolarHBondContact ND2-OG 3.03Å; N554-S556 PolarHBondContact O-N 3.35Å; N554-S556 VanDerWaalsContact OD1-CB 3.25Å; N554-S556 WeakPolarHBondContact OD1-CB 3.47Å; N554-S556 PolarHBondContact OD1-N 3.2Å; N554-S556 PolarHBondContact OD1-OG 2.9Å
557R29.6Very low30.2Very low179 Ų179147.2 Ų147.268%0.67579%0.791SS**SBendtrans-9.6134142.4-151.5177-167.8-177.23.7114.8
558W24.7Very low30.2Very low239 Ų239145.4 Ų145.491%0.90580%0.795SS**  trans-30.2121.9179.5-62.192000116.2
559P32.9Very low30.2Very low124 Ų124148.7 Ų148.781%0.80580%0.796SS**  trans-87.4135.7165.233.2-31000111.7
560G29.1Very low30.3Very low77 Ų77153 Ų15379%0.79480%0.797SS**  trans-85177.3176.100000114.4
561Q30.4Very low30.3Very low196 Ų196151.7 Ų151.792%0.91679%0.787SS**  trans-75.6132.9-177.2-60.4170.6-13.900113.2
562N28.8Very low30.3Very low148 Ų148152.9 Ų152.979%0.79179%0.787SS**  -157.2176.7124.7-133.6-67.8000112.9
563M26.5Very low30.6Very low145 Ų145149 Ų14971%0.71478%0.782SS**  trans-86.6153.5-164-63.9174.4-83.600114.5
564N30.8Very low30.8Very low144 Ų144150.9 Ų150.977%0.7778%0.78SS**  trans-142.7162.5134.7-129.4-28.2000111.4
565R30.2Very low31.1Very low221 Ų221149.3 Ų149.383%0.83478%0.777SS**  trans-101.6159.7-152.8-61.7-177.6178.2-162.8-0.2116.1
566L32.2Very low31.2Very low164 Ų164147.4 Ų147.486%0.85977%0.77SS**  trans-41.1163.2163.4-75.8149.6000114.6
567P32.7Very low31.4Very low130 Ų130148.7 Ų148.784%0.84478%0.775SS**  cis-142.4169.928.441.2-22.6000118.5
568G33.1Very low31.4Very low73 Ų73147.6 Ų147.675%0.75378%0.782SS**  trans-179.195.8170.200000115.6
569K31.8Very low31.8Very low202 Ų202141.4 Ų141.488%0.87877%0.773SS**  trans-41.2143.1178.9-52171178.3177.50113.8
570Q33.3Very low31.5Very low163 Ų163142 Ų14276%0.76277%0.769SS**  -161155.257.6-84.3174.9-8300114.8
571Q32.5Very low31.6Very low149 Ų149146.9 Ų146.970%0.69677%0.773SS**  trans39.3109.1150.4-68.9150.6-6600120
572H28.4Very low31.5Very low167 Ų167143.4 Ų143.477%0.77377%0.766SS**  71.3146.272.7-83.1-93.7000116
573P36.3Very low31.5Very low121 Ų121142 Ų14279%0.78677%0.767SS**  cis-129.5166.613.939.7-23.1000119
574T34.3Very low31.6Very low112 Ų112139.5 Ų139.569%0.68777%0.77SS**  trans-73.9-171.9169.744.10000113.9
575P34.2Very low31.4Very low96 Ų96136.1 Ų136.162%0.62377%0.769SS**  cis-127.3-172.24.325.91000113.8V577P575-V577 HydrophobicContact CB-CG2 4.47Å
576H33.7Very low31.5Very low169 Ų169134.7 Ų134.778%0.78277%0.774SS**  cis-132.815218.8-79.5-111.2000111.3
577V34.5Very low31.3Very low104 Ų104136 Ų13663%0.6377%0.767SS**  cis83.484.332.6178.50000112P575P575-V577 HydrophobicContact CB-CG2 4.47Å
578L30.2Very low31.1Very low156 Ų156139.4 Ų139.482%0.81776%0.764SS**  125.7169.983-91.8-177.5000108
579P31.8Very low30.9Very low109 Ų109141.2 Ų141.271%0.70876%0.762SS**  cis-129.2176.3-26.338.4-22.5000114.2
580N26.1Very low30.9Very low137 Ų137136.9 Ų136.973%0.73375%0.754SS**  trans-65.1135.5165.7161.445.2000113.2
581M32.3Very low30.5Very low179 Ų179133 Ų13388%0.88276%0.758SS**  trans-141.9138.9150.6-68-156.68800111.9
582T29Very low30.3Very low123 Ų123130.4 Ų130.476%0.75576%0.762SS**  trans-89.6141.6177.150.40000112.2
583S27.9Very low30.3Very low118 Ų118128.5 Ų128.583%0.82576%0.763SS**  173.9158.1125.1-161.50000113.6
584A29.2Very low29.8Very low93 Ų93128.9 Ų128.977%0.76976%0.763SS**  trans2.8110.8161.300000120.7
585G26.4Very low29.5Very low73 Ų73130.6 Ų130.675%0.75377%0.773SS**  63.7115111.700000120.7
586M32.6Very low29.1Very low191 Ų191134 Ų13494%0.94178%0.781SS**  trans-131124.2146.5-84-65.7178.100110.4
587R27.2Very low28.8Very low190 Ų190134.2 Ų134.272%0.71779%0.786SS**  trans-125.9128.9173.9167-165.6-171.8-102.28.3106.3
588W27.8Very low28.6Very low202 Ų202137.1 Ų137.177%0.76579%0.793SS**  trans175.8161.2158.4-81.2127.9000109.4
589P29.7Very low28.7Very low112 Ų112132.8 Ų132.873%0.72779%0.785SS**  cis-128.7168.7-27.837.6-22.9000113.1
590P30.7Very low28.7Very low110 Ų110135.5 Ų135.571%0.71479%0.792SS**  trans-93.7140.8170.335.2-31.3000113.6
591G26.3Very low29.1Very low82 Ų82139.8 Ų139.885%0.84580%0.798SS**  trans84.9118.6154.600000119
592A28.3Very low29.1Very low94 Ų94136.4 Ų136.478%0.77779%0.79SS**  trans177.7126.8140.900000112.9
593T28.3Very low29.4Very low127 Ų127139.5 Ų139.578%0.77980%0.795SS**  trans25.4112149.656.20000122.3
594T25.5Very low29.7Very low129 Ų129139.9 Ų139.979%0.79179%0.792SS**  47.7100.9125.1-420000120.8
595T27.2Very low29.8Very low148 Ų148141 Ų14191%0.90879%0.785SS**  -176.3166.5121.421.20000112.7
596H25.5Very low30Very low167 Ų167144.3 Ų144.377%0.77378%0.781SS**  trans-93.3148.4-170.9-161.1-96.8000112.5
597I28.3Very low30Very low174 Ų174144.2 Ų144.289%0.89277%0.771SS**  trans-167.6162.8154.6-107.7155.2000112.7
598Q30.4Very low30.4Very low166 Ų166144.8 Ų144.878%0.77677%0.773SS**  trans-144.9166-156.2-170.3-170.534.300111.7
599G31.7Very low30.7Very low64 Ų64140 Ų14066%0.6677%0.767SS**  trans175.3160.9153.900000114.9
600I33Very low30.7Very low167 Ų167138.1 Ų138.186%0.85677%0.769SS**  cis-156.1158.5-9.7-110.2158.2000109.4
601W33.9Very low30.8Very low227 Ų227139.2 Ų139.286%0.8677%0.774SS**  trans-95.9-176.2-175.8-75.479000114.5
602P33Very low31.1Very low108 Ų108141.5 Ų141.570%0.70177%0.771SS**  trans-129.1141.813837-26.9000115.8
603H33.8Very low31.4Very low188 Ų188141 Ų14187%0.8776%0.76SS**  trans19.1150.2145.9-76.2-75.5000122.8
604T35.9Very low31.4Very low125 Ų125138.4 Ų138.477%0.76776%0.758SS**  cis-135176.111.340.10000110.8
605D31.1Very low32Very low116 Ų116136.5 Ų136.562%0.6275%0.748SS**  cis-151.9-172.627.3-167.618.8000113.2F424F424-D605 WeakPolarHBondContact CZ-O 3.41Å
606Q30.8Very low32Very low143 Ų143140.4 Ų140.467%0.66875%0.746SS**  trans-80.5174.2-166.2-61.4173.443.100115.3F424F424-Q606 VanDerWaalsContact CE2-C 3.46Å
607R31.3Very low32.1Very low190 Ų190137.4 Ų137.472%0.71774%0.744SS**  cis-150.4125.229.5-55.4169.3-175.6-162-1.1114.7F424F424-R607 VanDerWaalsContact CD2-C 3.48Å
608R34.9Very low32.1Very low202 Ų202134.8 Ų134.876%0.76274%0.736SS**  40.4161.9122.8-93.3-169.2162.6-133.2-1.5122.5
609P34.1Very low31.8Very low100 Ų100134.4 Ų134.465%0.64974%0.74SS**  cis-145.5157.4-13.336-15.3000119.2
610G30.7Very low31.6Very low73 Ų73135.4 Ų135.475%0.75374%0.742SS**  trans102.8146.3145.200000117.7
611T32.3Very low31.3Very low134 Ų134133.3 Ų133.382%0.82274%0.742SS**  cis-152.41157.4-61.90000113.4
612V32.8Very low31.1Very low130 Ų130125.4 Ų125.479%0.78873%0.731SS**  trans41.1123143.9-170.90000121.6
613P34.5Very low30.9Very low83 Ų83128.5 Ų128.554%0.53974%0.738SS.*  trans-102.1159.8154.438.1-31.6000113.5
614G29Very low30.7Very low73 Ų73125.8 Ų125.875%0.75373%0.73SS**  trans-173.5151.2169.300000113.8
615P38.3Very low30.4Very low89 Ų89124.1 Ų124.158%0.57872%0.723SS**  trans-123.6179.9-159.423.11.5000115.1
616W25.5Very low30.4Very low230 Ų230123.1 Ų123.187%0.87173%0.726SS**  153.8122126.5-68.1-37.7000114.7
617S28.5Very low30.4Very low103 Ų103121.6 Ų121.672%0.7273%0.731SS**  trans72.4140.8137.2-57.70000124.4
618T27.8Very low30.4Very low119 Ų119117.1 Ų117.173%0.7374%0.735SS**  trans70.4104.6144.741.70000122.4
619N25.3Very low30.1Very low158 Ų158111.3 Ų111.385%0.84574%0.738SS**  68.7154.9121.9-74.5-4.7000123.1
620A27.9Very low30Very low86 Ų86109.6 Ų109.671%0.71174%0.738SS**  trans82105.3153.200000119.4
621S26.5Very low29.9Very low123 Ų123115 Ų11586%0.8674%0.741SS**  trans60.7144.2131.160.80000121.4
622G28.5Very low29.7Very low61 Ų61116.7 Ų116.763%0.62974%0.737SS**  trans112.9108.1-165.500000107.2
623M29.7Very low29.7Very low172 Ų172117.1 Ų117.185%0.84774%0.735SS**  cis47.812349.4-38.7176.862.400108.2
624D29.6Very low29.6Very low132 Ų132121 Ų12171%0.70675%0.746SS**  cis178.5-172.79.953.1-100.4000102.9
625S29.6Very low29.8Very low89 Ų89123 Ų12362%0.62275%0.746SS**  cis-142.7150.93.7-90.30000109.9
626S30.7Very low29.5Very low96 Ų96123.8 Ų123.867%0.67175%0.749SS**  trans53.5119.5134.777.90000120.3
627S30.5Very low29.9Very low110 Ų110121.6 Ų121.677%0.76975%0.749SS**  95.4155.491.573.30000115
628A31.7Very low29.8Very low97 Ų97121.1 Ų121.180%0.80275%0.745SS**  cis-170.1162.3-22.300000110.8
629G29.3Very low30.1Very low80 Ų80122.5 Ų122.583%0.82575%0.747SS**  trans78.6158.5164.800000115.6
630G31.2Very low30.3Very low63 Ų63119.4 Ų119.465%0.64974%0.742SS**  cis-152.4157.9-6.100000109.7
631F27.9Very low30.7Very low187 Ų187121 Ų12182%0.8275%0.746SS**  53.9128.981-61.9-66000112.5
632F28.2Very low30.7Very low170 Ų170126.2 Ų126.275%0.74675%0.747SS**  cis-163.9168.227.8-123.9-59000112.5
633N32.7Very low30.6Very low139 Ų139129.2 Ų129.274%0.74375%0.752SS**  trans79.7106.5146.8-70.6-25000123.3
634Q33.6Very low30.5Very low164 Ų164124.8 Ų124.877%0.76674%0.738SS**  trans-55.1163.6130.8-98.4-173.92800111.7T636Q634-T636 PolarHBondContact OE1-OG1 3.09Å
635P33.6Very low30.5Very low116 Ų116126.3 Ų126.375%0.75374%0.741SS**  -142.3169.853.742.3-22.2000114.6
636T30.7Very low30.5Very low105 Ų105129 Ų12964%0.64474%0.744SS**  cis67.596.346.7-30.80000114.6Q634Q634-T636 PolarHBondContact OE1-OG1 3.09Å
637Q34.4Very low30.4Very low184 Ų184131.9 Ų131.986%0.8675%0.75SS**  trans-172.9158.2148.2-74.8-14037.400107.3
638S26.6Very low30.6Very low92 Ų92129.4 Ų129.464%0.64374%0.743SS**  cis161173.2-17.7-172.60000105.3
639I34.7Very low30.8Very low149 Ų149131 Ų13176%0.76474%0.742SS**  trans70.699.5173.3-49164.7000113.1
640A29.1Very low30.8Very low92 Ų92131.8 Ų131.876%0.7674%0.735SS**  cis96146.740.500000113.9
641P36.8Very low30.8Very low121 Ų121137.5 Ų137.579%0.78675%0.745SS**  trans-104.1164.3-153.939.6-36.5000115.1
642R26Very low30.8Very low231 Ų231137.8 Ų137.887%0.87275%0.747SS**  trans-149.8138.1149.7-80.1-150.6177-139.4-2.9114
643V27.3Very low31.1Very low124 Ų124135.2 Ų135.275%0.75275%0.747SS**  23.2130.5123.5-145.20000114.9
644S27.5Very low30.8Very low79 Ų79133 Ų13355%0.55274%0.742SS**  176.1126.972.4170.20000115.5
645Q29.5Very low30.4Very low164 Ų164130.3 Ų130.377%0.76674%0.741SS**  trans63173.2153.7-59.8175.886.700114.7
646Q27.9Very low30.4Very low146 Ų146132 Ų13268%0.68274%0.743SS**  cis-152.9137.49.9-158.3163.4-57.600112.4
647I29.9Very low30.3Very low156 Ų156133.1 Ų133.180%0.875%0.75SS**  trans41.6130.3148.9-60.1171.6000119.6
648G33.8Very low30.2Very low59 Ų59130.3 Ų130.361%0.60875%0.748SS**  cis158.8-160.1-0.500000114.6
649T35.6Very low30.4Very low129 Ų129130.5 Ų130.579%0.79176%0.755SS**  trans58.8114179.554.90000116.1
650S29.4Very low30.2Very low98 Ų98135.8 Ų135.869%0.68577%0.765SS**  71.7142.252.682.40000112.5
651E32.4Very low30.2Very low183 Ų183134.7 Ų134.786%0.85576%0.763SS**  cis-139.8151.829.4-65.4172.2164.900115.1
652F28.4Very low30Very low193 Ų193135.2 Ų135.285%0.84676%0.764SS**  trans-85.4163.3160.4-95.1-87.5000108.5
653P32.6Very low30.2Very low116 Ų116131.3 Ų131.375%0.75376%0.76SS**  -155.715852.841.9-19.8000121.1
654S27.6Very low30.5Very low92 Ų92134 Ų13464%0.64376%0.764SS**  trans22.5136132.3-47.20000123.5
655S25.6Very low30.5Very low107 Ų107135 Ų13575%0.74877%0.772SS**  trans88.9158.3132.576.90000121.3
656L32.3Very low30.6Very low151 Ų151137.4 Ų137.479%0.79178%0.78SS**  trans88.486.9172-53.6-179.9000118.7
657T28.9Very low30.7Very low129 Ų129141.2 Ų141.279%0.79179%0.788SS**  33.7151.3123.741.30000123
658P32.9Very low30.6Very low126 Ų126140.3 Ų140.382%0.81879%0.79SS**  trans-104.2152.6-143.338.8-36.3000117.3
659A31.3Very low30.4Very low96 Ų96143 Ų14379%0.79380%0.797SS**  trans-156.399.5159.900000115
660R29.3Very low30.1Very low259 Ų259145.5 Ų145.598%0.97780%0.8SS**  31.2102128.5-167.3-174.8-155.5155.25.3118.7
661G29.8Very low30Very low69 Ų69144.2 Ų144.271%0.71179%0.79SS**  trans179.1100.4165.100000119.3
662V31.3Very low29.8Very low132 Ų132138.6 Ų138.680%0.878%0.776SS**  trans41.7124.6147.8-70.70000123.7
663N30.2Very low29.9Very low149 Ų149135.1 Ų135.180%0.79776%0.76SS**  trans89.4136.3142.6-67-29.3000122.7
664Q33.9Very low29.9Very low180 Ų180137.3 Ų137.384%0.84176%0.755SS**  trans85.1101.9160.9-47.5-1413500119.9
665S28.2Very low30.3Very low101 Ų101138.1 Ų138.171%0.70676%0.758SS**  trans28.5109.9139.6-53.60000120.9
666F31.3Very low30.7Very low214 Ų214137.8 Ų137.894%0.93975%0.753SS**  -158.6175.793.6-103.2-79.7000108.8
667R29.4Very low30.8Very low227 Ų227139 Ų13986%0.85776%0.758SS**  trans-105.2152.5-155.8-69.4-173.7172.5-143.6-0.5116.4
668T29.1Very low31Very low137 Ų137138.3 Ų138.384%0.8475%0.754SS**  trans75.8153.1171.284.20000116.6
669P29.9Very low31Very low116 Ų116138.3 Ų138.375%0.75375%0.754SS**  cis-127.7175.8-13.640.2-24.5000115.7
670Q29.2Very low30.8Very low181 Ų181137 Ų13785%0.84675%0.75SS**  trans40.7137.4156.7-67.3-165.82.900126.6
671S27.2Very low30.7Very low70 Ų70134.5 Ų134.549%0.4975%0.747SS.*  trans71.499.9140.970.30000125.4
672A28.4Very low30.5Very low66 Ų66137 Ų13755%0.54575%0.753SS.*  88.9140.4111.100000124.4
673F30.5Very low30.3Very low120 Ų120136.4 Ų136.453%0.52676%0.755SS.*  trans72.7143.1160-54.7-48.2000118.7A372A372-F673 HydrophobicContact CB-CD2 4.04Å
674Y32.3Very low30.2Very low161 Ų161135.5 Ų135.563%0.63176%0.755SS**  cis-169.1-178.3-5.9-113.9-32.9000108.3T371T371-Y674 HydrophobicContact CG2-CD2 4.12Å; T371-Y674 HydrophobicContact CG2-CE2 3.77Å
675P34.8Very low30.1Very low109 Ų109133.1 Ų133.171%0.70876%0.755SS**  cis-128.7-139.4-24.436.8-12.5000111.9
676P33.5Very low30.1Very low100 Ų100136.8 Ų136.865%0.64976%0.763SS**  -134.3150.1-112.440.1-19.6000118.8
677I34.9Very low29.9Very low177 Ų177132.4 Ų132.491%0.90876%0.759SS**  trans-138148.7147.2-56.9-176.8000107.7
678T32.7Very low29.9Very low115 Ų115129.8 Ų129.871%0.70676%0.757SS**  trans-151.8161.7-155.4-55.80000110.2
679P34.5Very low29.8Very low126 Ų126133.4 Ų133.482%0.81876%0.755SS**  cis-111.9179.1-24.933.2-17.1000111.8
680G26.9Very low29.9Very low69 Ų69135.6 Ų135.671%0.71176%0.757SS**  cis169.1105.2-7.200000110.8
681F26.1Very low30Very low206 Ų206135.4 Ų135.490%0.90475%0.754SS**  trans-117.3148.7176-83.8-93.7000110.5
682S26.9Very low30.6Very low120 Ų120136 Ų13684%0.83975%0.75SS**  trans44.2110.2160.261.20000119.1
683S27.1Very low30.8Very low120 Ų120135.4 Ų135.484%0.83974%0.741SS**  trans-139.4125.9155.460.30000110.9
684T28Very low31.1Very low130 Ų130133.4 Ų133.480%0.79874%0.741SS**  trans-58.5140.8-179.847.30000113.5M686T684-M686 PolarHBondContact O-N 3.49Å; T684-M686 VanDerWaalsContact O-N 3.16Å
685P30.4Very low31.5Very low130 Ų130132.8 Ų132.884%0.84474%0.744SS**  trans-70.7108.2166.229.8-32.1000109.8
686M28.1Very low32Very low178 Ų178132.7 Ų132.788%0.87773%0.734SS**  trans-71.3137.2170-170.5173.3179.400109.4T684 Q688T684-M686 PolarHBondContact O-N 3.49Å; T684-M686 VanDerWaalsContact O-N 3.16Å; M686-Q688 PolarHBondContact O-N 2.95Å
687S28.9Very low32.6Very low122 Ų122132.5 Ų132.585%0.85372%0.724SS**  trans-5595.9-163.4-52.60000115.5R689S687-R689 PolarHBondContact O-N 3.43Å
688Q28.2Very low33.3Very low173 Ų173127.2 Ų127.281%0.80870%0.702SS**  trans-78102.5162.9-71.6-176.8-12.400109.3M686 M690M686-Q688 PolarHBondContact O-N 2.95Å; Q688-M690 VanDerWaalsContact C-N 3.3Å; Q688-M690 PolarHBondContact O-N 3.29Å
689R27.9Very low34.3Very low213 Ų213127.1 Ų127.180%0.80469%0.694SS**  trans-66.393.8160.3-86.1-168.6174.7-149.91.3108.1S687 F691S687-R689 PolarHBondContact O-N 3.43Å; R689-F691 HydrophobicContact CB-CD2 4.38Å; R689-F691 HydrophobicContact CB-CE2 4.33Å; R689-F691 PolarHBondContact O-N 2.8Å
690M30.7Very low35.5Very low162 Ų162123 Ų12380%0.79866%0.664SS**  trans-61.4100.1160.6-73.4-70.8-77.300107.5Q688 M692Q688-M690 VanDerWaalsContact C-N 3.3Å; Q688-M690 PolarHBondContact O-N 3.29Å; M690-M692 PolarHBondContact O-N 3.3Å
691F32.8Very low37.4Very low177 Ų177123.4 Ų123.478%0.77665%0.649SS**  trans-65.6108.6174.9-90.4-95.3000108.8R689R689-F691 HydrophobicContact CB-CD2 4.38Å; R689-F691 HydrophobicContact CB-CE2 4.33Å; R689-F691 PolarHBondContact O-N 2.8Å
692M38.8Very low39.4Very low83 Ų83119.2 Ų119.241%0.40963%0.632SS.*  trans-60.5144.1168.5-69.5171.159.700109.1M690 Q696 Q700M690-M692 PolarHBondContact O-N 3.3Å; M692-Q696 HydrophobicContact CB-CB 4.13Å; M692-Q696 HydrophobicContact CE-CB 3.9Å; M692-Q700 HydrophobicContact CE-CB 3.98Å; M692-Q700 HydrophobicContact CE-CG 4.28Å; M692-Q700 PolarHBondContact SD-OE1 2.9Å
693S33.8Very low41.3Very low52 Ų52117.2 Ų117.236%0.36461%0.61SS.*  trans-62.1153.3179.359.60000111.1Q695 Q696 H697S693-Q695 VanDerWaalsContact C-N 3.25Å; S693-Q695 PolarHBondContact O-N 3.41Å; S693-Q696 CarbonylContact O-C 3.42Å; S693-Q696 WeakPolarHBondContact O-CA 3.42Å; S693-Q696 WeakPolarHBondContact O-CB 3.49Å; S693-Q696 PolarHBondContact O-N 3.47Å; S693-Q696 WeakPolarHBondContact OG-CG 3.38Å; S693-Q696 PolarHBondContact OG-OE1 3.21Å; S693-H697 PolarHBondContact O-N 3.3Å
694P36.2Very low43.2Very low79 Ų79114.6 Ų114.651%0.51358%0.584SS.*Hα-helixtrans-54.2-37.6-179.1-29.536.8000114.1Q696 H697 S698P694-Q696 VanDerWaalsContact C-N 3.33Å; P694-Q696 PolarHBondContact O-N 3.06Å; P694-H697 PolarHBondContact O-N 2.93Å; P694-S698 PolarHBondContact O-N 2.87Å; P694-S698 PolarHBondContact O-OG 2.89Å
695Q41.3Very low45.2Very low148 Ų148111.8 Ų111.869%0.69257%0.57SS**Hα-helixtrans-60.1-37170.6-105.684.56.400113.7S693 S698 H699S693-Q695 VanDerWaalsContact C-N 3.25Å; S693-Q695 PolarHBondContact O-N 3.41Å; Q695-S698 PolarHBondContact O-OG 3.03Å; Q695-S698 VanDerWaalsContact O-OG 3.1Å; Q695-H699 WeakPolarHBondContact O-CB 3.49Å; Q695-H699 PolarHBondContact O-N 3.02Å
696Q44Very low47.1Very low107 Ų107110 Ų11050%0.555%0.551SS.*Hα-helixtrans-78.5-33.5177.2-73.5174.3-4600111.8M692 S693 P694 H699 Q700M692-Q696 HydrophobicContact CB-CB 4.13Å; M692-Q696 HydrophobicContact CE-CB 3.9Å; S693-Q696 CarbonylContact O-C 3.42Å; S693-Q696 WeakPolarHBondContact O-CA 3.42Å; S693-Q696 WeakPolarHBondContact O-CB 3.49Å; S693-Q696 PolarHBondContact O-N 3.47Å; S693-Q696 WeakPolarHBondContact OG-CG 3.38Å; S693-Q696 PolarHBondContact OG-OE1 3.21Å; P694-Q696 VanDerWaalsContact C-N 3.33Å; P694-Q696 PolarHBondContact O-N 3.06Å; Q696-H699 PolarHBondContact O-N 3.19Å; Q696-Q700 VanDerWaalsContact O-CB 3.24Å; Q696-Q700 WeakPolarHBondContact O-CB 3.44Å; Q696-Q700 PolarHBondContact O-N 3.48Å
697H46.7Very low49.4Very low96 Ų96102.8 Ų102.844%0.44452%0.516SS..Hα-helixtrans-65.8-43.5175.3-168.9-121.4000111.3S693 P694 Q700 L701S693-H697 PolarHBondContact O-N 3.3Å; P694-H697 PolarHBondContact O-N 2.93Å; H697-Q700 PolarHBondContact O-N 2.95Å; H697-L701 WeakPolarHBondContact O-CB 3.44Å; H697-L701 WeakPolarHBondContact O-CG 3.22Å; H697-L701 PolarHBondContact O-N 3.26Å
698S49.2Very low51.8Low65 Ų6598.6 Ų98.646%0.45548%0.482SS..Hα-helixtrans-65-43.1174.162.70000112.4P694 Q695 Q700 L701 Q702P694-S698 PolarHBondContact O-N 2.87Å; P694-S698 PolarHBondContact O-OG 2.89Å; Q695-S698 PolarHBondContact O-OG 3.03Å; Q695-S698 VanDerWaalsContact O-OG 3.1Å; S698-Q700 VanDerWaalsContact C-N 3.33Å; S698-Q700 PolarHBondContact O-N 3.44Å; S698-L701 PolarHBondContact O-N 2.94Å; S698-Q702 WeakPolarHBondContact O-CB 3.38Å; S698-Q702 PolarHBondContact O-N 3.44Å
699H54.9Low54.2Low113 Ų11392.4 Ų92.452%0.52346%0.46SS..Hα-helixtrans-62.9-35.9173.7-104.4-56.3000113.3Q695 Q696 Q703Q695-H699 WeakPolarHBondContact O-CB 3.49Å; Q695-H699 PolarHBondContact O-N 3.02Å; Q696-H699 PolarHBondContact O-N 3.19Å; H699-Q703 WeakPolarHBondContact O-CB 3.17Å; H699-Q703 WeakPolarHBondContact O-CG 3.34Å; H699-Q703 PolarHBondContact O-N 2.81Å; H699-Q703 VanDerWaalsContact O-N 3.09Å; H699-Q703 PolarHBondContact O-NE2 3.24Å
700Q59.6Low56.7Low40 Ų4085.2 Ų85.219%0.18744%0.435CS..Hα-helixtrans-72.7-44.4177.5-170.2-17642.200111.1M692 Q696 H697 S698 Q702 Q703 Q704M692-Q700 HydrophobicContact CE-CB 3.98Å; M692-Q700 HydrophobicContact CE-CG 4.28Å; M692-Q700 PolarHBondContact SD-OE1 2.9Å; Q696-Q700 VanDerWaalsContact O-CB 3.24Å; Q696-Q700 WeakPolarHBondContact O-CB 3.44Å; Q696-Q700 PolarHBondContact O-N 3.48Å; H697-Q700 PolarHBondContact O-N 2.95Å; S698-Q700 VanDerWaalsContact C-N 3.33Å; S698-Q700 PolarHBondContact O-N 3.44Å; Q700-Q702 VanDerWaalsContact C-N 3.33Å; Q700-Q702 PolarHBondContact O-N 3.45Å; Q700-Q703 PolarHBondContact O-N 3.35Å; Q700-Q704 WeakPolarHBondContact O-CB 3.43Å; Q700-Q704 WeakPolarHBondContact O-CG 3.42Å; Q700-Q704 PolarHBondContact O-N 2.96Å
701L65.6Low59.3Low77 Ų7777.5 Ų77.540%0.40340%0.397SS..Hα-helixtrans-60.5-40.5173.9-76.9173.3000111.9H697 S698 Q704 S705H697-L701 WeakPolarHBondContact O-CB 3.44Å; H697-L701 WeakPolarHBondContact O-CG 3.22Å; H697-L701 PolarHBondContact O-N 3.26Å; S698-L701 PolarHBondContact O-N 2.94Å; L701-Q704 PolarHBondContact O-N 2.9Å; L701-S705 VanDerWaalsContact O-CB 3.27Å; L701-S705 WeakPolarHBondContact O-CB 3.48Å; L701-S705 PolarHBondContact O-N 3.47Å; L701-S705 PolarHBondContact O-OG 2.93Å
702Q69.5Low61.6Low118 Ų11871.3 Ų71.355%0.55137%0.371SS*.Hα-helixtrans-66.4-41.8176.6-167.2174.231.900111.5S698 Q700 S705 M706S698-Q702 WeakPolarHBondContact O-CB 3.38Å; S698-Q702 PolarHBondContact O-N 3.44Å; Q700-Q702 VanDerWaalsContact C-N 3.33Å; Q700-Q702 PolarHBondContact O-N 3.45Å; Q702-S705 PolarHBondContact O-N 3.32Å; Q702-M706 WeakPolarHBondContact O-CG 3.43Å; Q702-M706 PolarHBondContact O-N 3.37Å
703Q66.7Low63.7Low78 Ų7873 Ų7336%0.36437%0.373SS..Hα-helixtrans-65.5-44.1174.5-76.3170.789.600112.3H699 Q700 S705 M706 I707H699-Q703 WeakPolarHBondContact O-CB 3.17Å; H699-Q703 WeakPolarHBondContact O-CG 3.34Å; H699-Q703 PolarHBondContact O-N 2.81Å; H699-Q703 VanDerWaalsContact O-N 3.09Å; H699-Q703 PolarHBondContact O-NE2 3.24Å; Q700-Q703 PolarHBondContact O-N 3.35Å; Q703-S705 VanDerWaalsContact C-N 3.31Å; Q703-S705 PolarHBondContact O-N 2.97Å; Q703-M706 HydrophobicContact CG-CE 4.2Å; Q703-M706 PolarHBondContact O-N 3.21Å; Q703-I707 VanDerWaalsContact O-CG1 3.3Å; Q703-I707 WeakPolarHBondContact O-CG1 3.36Å; Q703-I707 PolarHBondContact O-N 3.38Å
704Q66.3Low66.1Low65 Ų6573.1 Ų73.130%0.30437%0.368SS..Hα-helixtrans-62.7-37.7174.3-72.1-173.628.500112.1Q700 L701 I707 R708Q700-Q704 WeakPolarHBondContact O-CB 3.43Å; Q700-Q704 WeakPolarHBondContact O-CG 3.42Å; Q700-Q704 PolarHBondContact O-N 2.96Å; L701-Q704 PolarHBondContact O-N 2.9Å; Q704-I707 PolarHBondContact O-N 2.8Å; Q704-R708 VanDerWaalsContact O-CB 3.24Å; Q704-R708 WeakPolarHBondContact O-CB 3.41Å; Q704-R708 PolarHBondContact O-N 3.34Å
705S69.4Low68.5Low72 Ų7269.4 Ų69.450%0.50334%0.344SS..Hα-helixtrans-64.8-42.4174.8-610000112L701 Q702 Q703 R708 A709L701-S705 VanDerWaalsContact O-CB 3.27Å; L701-S705 WeakPolarHBondContact O-CB 3.48Å; L701-S705 PolarHBondContact O-N 3.47Å; L701-S705 PolarHBondContact O-OG 2.93Å; Q702-S705 PolarHBondContact O-N 3.32Å; Q703-S705 VanDerWaalsContact C-N 3.31Å; Q703-S705 PolarHBondContact O-N 2.97Å; S705-R708 PolarHBondContact O-N 2.92Å; S705-A709 VanDerWaalsContact O-CB 3.27Å; S705-A709 WeakPolarHBondContact O-CB 3.46Å; S705-A709 PolarHBondContact O-N 3.45Å
706M70.4Confident70.5Confident91 Ų9166.8 Ų66.845%0.44833%0.33SS..Hα-helixtrans-65-43.2174.8-72.1-169.3-60.300112.2Q702 Q703 A709 H710 L824Q702-M706 WeakPolarHBondContact O-CG 3.43Å; Q702-M706 PolarHBondContact O-N 3.37Å; Q703-M706 HydrophobicContact CG-CE 4.2Å; Q703-M706 PolarHBondContact O-N 3.21Å; M706-A709 PolarHBondContact O-N 3.29Å; M706-H710 WeakPolarHBondContact O-CB 3.29Å; M706-H710 PolarHBondContact O-N 2.94Å; M706-L824 HydrophobicContact SD-CD1 4.34Å
707I77.3Confident72.4Confident27 Ų2767.5 Ų67.514%0.13834%0.338CS..Hα-helixtrans-63.4-45.1176.5-67.1165.1000110.4Q703 Q704 A709 H710 V711 V736 L759 I762 L766Q703-I707 VanDerWaalsContact O-CG1 3.3Å; Q703-I707 WeakPolarHBondContact O-CG1 3.36Å; Q703-I707 PolarHBondContact O-N 3.38Å; Q704-I707 PolarHBondContact O-N 2.8Å; I707-A709 PolarHBondContact O-N 3.16Å; I707-H710 PolarHBondContact O-N 3.48Å; I707-V711 WeakPolarHBondContact O-CB 3.27Å; I707-V711 WeakPolarHBondContact O-CG2 3.48Å; I707-V711 PolarHBondContact O-N 3.15Å; I707-V736 HydrophobicContact CG2-CB 4.37Å; I707-V736 HydrophobicContact CG2-CG1 4.13Å; I707-V736 HydrophobicContact CG2-CG2 4.18Å; I707-L759 HydrophobicContact CG2-CD2 3.97Å; I707-I762 HydrophobicContact CD1-CG2 3.88Å; I707-I762 HydrophobicContact CG1-CG2 4.37Å; I707-L766 HydrophobicContact CD1-CD1 3.44Å; I707-L766 VanDerWaalsContact CD1-CD1 3.44Å
708R78.7Confident74.1Confident35 Ų3566 Ų6613%0.13233%0.33CS..Hα-helixtrans-61-42.8176-172.4173.9-65.7-143.80.9111.7Q704 S705 V711 M712 F729 D731 T732 T734Q704-R708 VanDerWaalsContact O-CB 3.24Å; Q704-R708 WeakPolarHBondContact O-CB 3.41Å; Q704-R708 PolarHBondContact O-N 3.34Å; S705-R708 PolarHBondContact O-N 2.92Å; R708-V711 PolarHBondContact O-N 3.15Å; R708-M712 WeakPolarHBondContact O-CB 3.4Å; R708-M712 WeakPolarHBondContact O-CG 3.37Å; R708-M712 PolarHBondContact O-N 2.86Å; R708-F729 HydrophobicContact CG-CD1 3.75Å; R708-F729 HydrophobicContact CG-CE1 4.36Å; R708-F729 HydrophobicContact CG-CG 4.36Å; R708-F729 PolarHBondContact NH1-O 3.38Å; R708-D731 PolarHBondContact NH1-O 3.26Å; R708-D731 PolarHBondContact NH2-O 2.77Å; R708-T732 PolarHBondContact NH2-O 3.37Å; R708-T732 VanDerWaalsContact NH2-O 3.16Å; R708-T734 PolarHBondContact NH2-O 3.44Å
709A77.9Confident75.7Confident43 Ų4365.7 Ų65.736%0.35534%0.337SS..Hα-helixtrans-68.2-34.5176.700000113.3S705 M706 I707 R713S705-A709 VanDerWaalsContact O-CB 3.27Å; S705-A709 WeakPolarHBondContact O-CB 3.46Å; S705-A709 PolarHBondContact O-N 3.45Å; M706-A709 PolarHBondContact O-N 3.29Å; I707-A709 PolarHBondContact O-N 3.16Å; A709-R713 WeakPolarHBondContact O-CG 3.49Å; A709-R713 PolarHBondContact O-N 2.93Å
710H81.6Confident77.1Confident61 Ų6161.3 Ų61.328%0.28232%0.317SS..Hα-helixtrans-66.9-47.6172.3-177.793.5000110.8M706 I707 M712 R713 Q714M706-H710 WeakPolarHBondContact O-CB 3.29Å; M706-H710 PolarHBondContact O-N 2.94Å; I707-H710 PolarHBondContact O-N 3.48Å; H710-M712 PolarHBondContact O-N 2.82Å; H710-R713 PolarHBondContact O-N 3.48Å; H710-R713 VanDerWaalsContact O-N 3.17Å; H710-Q714 PolarHBondContact NE2-NE2 2.96Å; H710-Q714 PolarHBondContact O-N 2.93Å; H710-Q714 VanDerWaalsContact O-N 3.09Å
711V84.3Confident78.2Confident0 Ų062.4 Ų62.40%033%0.326CS..Hα-helixtrans-61.6-43.5178.8166.20000112.1I707 R708 R713 Q714 L715 F729 V736 L740 L755 L759I707-V711 WeakPolarHBondContact O-CB 3.27Å; I707-V711 WeakPolarHBondContact O-CG2 3.48Å; I707-V711 PolarHBondContact O-N 3.15Å; R708-V711 PolarHBondContact O-N 3.15Å; V711-R713 VanDerWaalsContact C-N 3.3Å; V711-R713 PolarHBondContact O-N 2.91Å; V711-Q714 PolarHBondContact O-N 3.36Å; V711-Q714 VanDerWaalsContact O-N 3.13Å; V711-L715 HydrophobicContact CG1-CD1 3.92Å; V711-L715 HydrophobicContact CG1-CG 4.25Å; V711-L715 WeakPolarHBondContact O-CG 3.36Å; V711-L715 PolarHBondContact O-N 2.75Å; V711-F729 HydrophobicContact CG1-CE1 4.34Å; V711-F729 HydrophobicContact CG1-CE2 4.23Å; V711-F729 HydrophobicContact CG1-CZ 3.62Å; V711-V736 HydrophobicContact CB-CG1 4.27Å; V711-V736 HydrophobicContact CG1-CG1 4.28Å; V711-V736 HydrophobicContact CG2-CG1 3.76Å; V711-L740 HydrophobicContact CG1-CD1 4.1Å; V711-L740 HydrophobicContact CG1-CD2 3.84Å; V711-L740 HydrophobicContact CG1-CG 4.21Å; V711-L740 HydrophobicContact CG2-CD1 4.25Å; V711-L755 HydrophobicContact CG1-CD2 4.24Å; V711-L755 HydrophobicContact CG2-CD1 4.48Å; V711-L755 HydrophobicContact CG2-CD2 4.42Å; V711-L759 HydrophobicContact CG2-CD1 3.61Å; V711-L759 HydrophobicContact CG2-CD2 4.25Å
712M82Confident78.7Confident47 Ų4764 Ų6423%0.23233%0.332CS..Hα-helixtrans-49.1-50.3171.4-78.6-86.5179.700111.9R708 H710 Q714 L715 F716 I725 F729R708-M712 WeakPolarHBondContact O-CB 3.4Å; R708-M712 WeakPolarHBondContact O-CG 3.37Å; R708-M712 PolarHBondContact O-N 2.86Å; H710-M712 PolarHBondContact O-N 2.82Å; M712-Q714 PolarHBondContact O-N 3.49Å; M712-L715 PolarHBondContact O-N 3.37Å; M712-F716 WeakPolarHBondContact O-CD2 3.47Å; M712-F716 PolarHBondContact O-N 2.98Å; M712-F716 HydrophobicContact SD-CE2 4.47Å; M712-I725 HydrophobicContact CE-CG2 3.78Å; M712-I725 HydrophobicContact SD-CB 4.36Å; M712-I725 HydrophobicContact SD-CG2 3.41Å; M712-I725 WeakPolarHBondContact SD-CG2 3.44Å; M712-F729 HydrophobicContact CE-CB 3.52Å; M712-F729 HydrophobicContact CE-CD2 4.13Å; M712-F729 HydrophobicContact CE-CG 3.99Å
713R83Confident79.1Confident118 Ų11864.6 Ų64.645%0.44534%0.339SS..Hα-helixtrans-63.3-41.1179.5-65170.1-165.3-176.50.5112.4A709 H710 V711 F716 N717A709-R713 WeakPolarHBondContact O-CG 3.49Å; A709-R713 PolarHBondContact O-N 2.93Å; H710-R713 PolarHBondContact O-N 3.48Å; H710-R713 VanDerWaalsContact O-N 3.17Å; V711-R713 VanDerWaalsContact C-N 3.3Å; V711-R713 PolarHBondContact O-N 2.91Å; R713-F716 PolarHBondContact O-N 3.32Å; R713-N717 WeakPolarHBondContact O-CB 3.35Å; R713-N717 PolarHBondContact O-N 3.49Å; R713-N717 PolarHBondContact O-ND2 3.09Å; R713-N717 PolarHBondContact O-OD1 2.82Å
714Q83.3Confident79.5Confident56 Ų5665.4 Ų65.426%0.26234%0.342SS..Hα-helixtrans-67.1-36.6178-61.2-65.519.600112H710 V711 M712 N717 F718 L755H710-Q714 PolarHBondContact NE2-NE2 2.96Å; H710-Q714 PolarHBondContact O-N 2.93Å; H710-Q714 VanDerWaalsContact O-N 3.09Å; V711-Q714 PolarHBondContact O-N 3.36Å; V711-Q714 VanDerWaalsContact O-N 3.13Å; M712-Q714 PolarHBondContact O-N 3.49Å; Q714-N717 WeakPolarHBondContact O-CB 3.08Å; Q714-N717 PolarHBondContact O-N 2.91Å; Q714-N717 PolarHBondContact OE1-ND2 3.28Å; Q714-F718 VanDerWaalsContact O-CD2 3.25Å; Q714-F718 WeakPolarHBondContact O-CD2 3.44Å; Q714-F718 VanDerWaalsContact O-CG 3.27Å; Q714-F718 WeakPolarHBondContact O-CG 3.5Å; Q714-F718 PolarHBondContact O-N 2.93Å; Q714-L755 HydrophobicContact CB-CD1 4.19Å; Q714-L755 HydrophobicContact CB-CD2 4.06Å; Q714-L755 HydrophobicContact CG-CD1 4.1Å
715L86.1Confident79.9Confident0 Ų062.3 Ų62.30%033%0.328CS..Hα-helixtrans-66.8-42.4174.2-65.1176.5000111.8V711 M712 N717 F718 G719 F720 I725 F729 L740 L743 I752 L755V711-L715 HydrophobicContact CG1-CD1 3.92Å; V711-L715 HydrophobicContact CG1-CG 4.25Å; V711-L715 WeakPolarHBondContact O-CG 3.36Å; V711-L715 PolarHBondContact O-N 2.75Å; M712-L715 PolarHBondContact O-N 3.37Å; L715-N717 VanDerWaalsContact C-N 3.32Å; L715-N717 PolarHBondContact O-N 2.88Å; L715-F718 HydrophobicContact CD2-CD2 4.34Å; L715-F718 CarbonylContact O-C 3.46Å; L715-F718 PolarHBondContact O-N 3.27Å; L715-G719 PolarHBondContact O-N 2.92Å; L715-G719 VanDerWaalsContact O-N 3.17Å; L715-F720 HydrophobicContact CB-CB 4.3Å; L715-F720 HydrophobicContact CB-CD2 4.16Å; L715-F720 HydrophobicContact CD2-CD2 3.91Å; L715-F720 HydrophobicContact CD2-CE2 4.11Å; L715-F720 WeakPolarHBondContact O-CB 2.93Å; L715-F720 WeakPolarHBondContact O-CD2 3.39Å; L715-F720 PolarHBondContact O-N 2.8Å; L715-I725 HydrophobicContact CB-CD1 3.72Å; L715-I725 HydrophobicContact CB-CG1 4.05Å; L715-I725 HydrophobicContact CD1-CG1 4.22Å; L715-I725 HydrophobicContact CD1-CG2 3.87Å; L715-F729 HydrophobicContact CD1-CE2 3.78Å; L715-F729 HydrophobicContact CD1-CZ 4.44Å; L715-L740 HydrophobicContact CD1-CD2 4.15Å; L715-L740 HydrophobicContact CD2-CD2 4.05Å; L715-L740 HydrophobicContact CG-CD2 4.46Å; L715-L743 HydrophobicContact CD1-CD2 3.66Å; L715-L743 HydrophobicContact CD2-CD2 3.58Å; L715-L743 HydrophobicContact CG-CD2 4.24Å; L715-I752 HydrophobicContact CD2-CG1 4.38Å; L715-L755 HydrophobicContact CD2-CD2 4.33Å
716F84Confident80Confident93 Ų9364 Ų6441%0.40833%0.328SS..Hα-helixtrans-60.7-38.8170.6-74.7-59.8000112.5M712 R713 F718 G719 F720 E722 I725M712-F716 WeakPolarHBondContact O-CD2 3.47Å; M712-F716 PolarHBondContact O-N 2.98Å; M712-F716 HydrophobicContact SD-CE2 4.47Å; R713-F716 PolarHBondContact O-N 3.32Å; F716-F718 VanDerWaalsContact C-N 3.32Å; F716-F718 PolarHBondContact O-N 2.8Å; F716-G719 PolarHBondContact O-N 2.85Å; F716-F720 WeakPolarHBondContact CD1-O 3.31Å; F716-E722 HydrophobicContact CE1-CB 4.05Å; F716-E722 HydrophobicContact CZ-CB 4.02Å; F716-E722 HydrophobicContact CZ-CG 4.38Å; F716-I725 HydrophobicContact CD1-CD1 3.94Å; F716-I725 HydrophobicContact CD2-CD1 4.34Å; F716-I725 HydrophobicContact CE1-CD1 3.87Å; F716-I725 HydrophobicContact CE2-CD1 4.27Å; F716-I725 HydrophobicContact CG-CD1 4.17Å; F716-I725 HydrophobicContact CZ-CD1 4.04Å
717N84.2Confident80Confident123 Ų12363.8 Ų63.866%0.65833%0.334SS*.Hα-helixtrans-65.8-32.1175-70.5-18.8000112.8R713 Q714 L715 G719R713-N717 WeakPolarHBondContact O-CB 3.35Å; R713-N717 PolarHBondContact O-N 3.49Å; R713-N717 PolarHBondContact O-ND2 3.09Å; R713-N717 PolarHBondContact O-OD1 2.82Å; Q714-N717 WeakPolarHBondContact O-CB 3.08Å; Q714-N717 PolarHBondContact O-N 2.91Å; Q714-N717 PolarHBondContact OE1-ND2 3.28Å; L715-N717 VanDerWaalsContact C-N 3.32Å; L715-N717 PolarHBondContact O-N 2.88Å; N717-G719 PolarHBondContact O-N 2.97Å
718F82.3Confident79.6Confident64 Ų6463.2 Ų63.228%0.28133%0.331SS..THydrogen-bonded Turntrans-77-4.3171.1-63.9-34.2000113.6Q714 L715 F716 F720 H749 G751 L755Q714-F718 VanDerWaalsContact O-CD2 3.25Å; Q714-F718 WeakPolarHBondContact O-CD2 3.44Å; Q714-F718 VanDerWaalsContact O-CG 3.27Å; Q714-F718 WeakPolarHBondContact O-CG 3.5Å; Q714-F718 PolarHBondContact O-N 2.93Å; L715-F718 HydrophobicContact CD2-CD2 4.34Å; L715-F718 CarbonylContact O-C 3.46Å; L715-F718 PolarHBondContact O-N 3.27Å; F716-F718 VanDerWaalsContact C-N 3.32Å; F716-F718 PolarHBondContact O-N 2.8Å; F718-F720 HydrophobicContact CB-CD2 4.01Å; F718-F720 HydrophobicContact CB-CE2 4.11Å; F718-H749 AromaticContact CD1-CE1 3.8Å; F718-H749 AromaticContact CG-CE1 3.62Å; F718-G751 VanDerWaalsContact CE2-O 3.25Å; F718-G751 WeakPolarHBondContact CE2-O 3.29Å; F718-G751 VanDerWaalsContact CZ-O 3.29Å; F718-G751 WeakPolarHBondContact CZ-O 3.25Å; F718-L755 HydrophobicContact CE2-CB 4.39Å; F718-L755 HydrophobicContact CE2-CD2 4.31Å
719G83.5Confident79.3Confident59 Ų5962.1 Ų62.161%0.60833%0.327SS*.THydrogen-bonded Turntrans92.28.817500000115.8L715 F716 N717L715-G719 PolarHBondContact O-N 2.92Å; L715-G719 VanDerWaalsContact O-N 3.17Å; F716-G719 PolarHBondContact O-N 2.85Å; N717-G719 PolarHBondContact O-N 2.97Å
720F83.3Confident78.8Confident20 Ų2063.7 Ų63.79%0.08834%0.34CS..  trans-67.1142.2172-71-80.5000111.2L715 F716 F718 E724 I725 L743 H749 I752L715-F720 HydrophobicContact CB-CB 4.3Å; L715-F720 HydrophobicContact CB-CD2 4.16Å; L715-F720 HydrophobicContact CD2-CD2 3.91Å; L715-F720 HydrophobicContact CD2-CE2 4.11Å; L715-F720 WeakPolarHBondContact O-CB 2.93Å; L715-F720 WeakPolarHBondContact O-CD2 3.39Å; L715-F720 PolarHBondContact O-N 2.8Å; F716-F720 WeakPolarHBondContact CD1-O 3.31Å; F718-F720 HydrophobicContact CB-CD2 4.01Å; F718-F720 HydrophobicContact CB-CE2 4.11Å; F720-E724 WeakPolarHBondContact CA-OE2 3.27Å; F720-E724 HydrophobicContact CD1-CB 4.43Å; F720-I725 HydrophobicContact CB-CD1 3.83Å; F720-I725 HydrophobicContact CB-CG1 3.8Å; F720-L743 HydrophobicContact CD1-CD1 4.17Å; F720-L743 HydrophobicContact CE1-CD1 3.79Å; F720-L743 HydrophobicContact CE1-CD2 4.43Å; F720-L743 HydrophobicContact CE1-CG 4.3Å; F720-L743 HydrophobicContact CZ-CD1 4.35Å; F720-L743 HydrophobicContact CZ-CD2 4.44Å; F720-L743 HydrophobicContact CZ-CG 4.39Å; F720-H749 HydrophobicContact CE2-CB 4.15Å; F720-H749 HydrophobicContact CZ-CB 3.78Å; F720-I752 HydrophobicContact CE2-CD1 3.95Å; F720-I752 HydrophobicContact CE2-CG1 4.31Å; F720-I752 HydrophobicContact CZ-CD1 3.74Å
721T82.5Confident77.9Confident64 Ų6465.8 Ų65.839%0.39335%0.353SS..  trans-84.4162.7177.679.70000112.1D723 E724 I725T721-D723 PolarHBondContact O-N 3.47Å; T721-D723 PolarHBondContact OG1-N 3.12Å; T721-D723 PolarHBondContact OG1-OD2 3.37Å; T721-E724 PolarHBondContact N-OE2 3.45Å; T721-E724 PolarHBondContact O-N 3.26Å; T721-E724 VanDerWaalsContact O-N 3.14Å; T721-E724 PolarHBondContact OG1-N 3.16Å; T721-I725 WeakPolarHBondContact O-CD1 3.04Å; T721-I725 VanDerWaalsContact O-CG1 3.27Å; T721-I725 WeakPolarHBondContact O-CG1 3.3Å; T721-I725 PolarHBondContact O-N 2.93Å
722E77.4Confident76.7Confident109 Ų10970.6 Ų70.651%0.50938%0.382SS..Hα-helixtrans-60.4-34.7175.7-174.1169.9174.900111.7F716 E724 I725 Q726F716-E722 HydrophobicContact CE1-CB 4.05Å; F716-E722 HydrophobicContact CZ-CB 4.02Å; F716-E722 HydrophobicContact CZ-CG 4.38Å; E722-E724 VanDerWaalsContact C-N 3.29Å; E722-E724 PolarHBondContact O-N 2.86Å; E722-I725 PolarHBondContact O-N 2.82Å; E722-Q726 HydrophobicContact CG-CG 3.84Å; E722-Q726 VanDerWaalsContact O-CB 3.3Å; E722-Q726 WeakPolarHBondContact O-CB 3.49Å; E722-Q726 WeakPolarHBondContact O-CG 3.44Å; E722-Q726 PolarHBondContact O-N 3.05Å; E722-Q726 PolarHBondContact OE1-NE2 3.05Å
723D76.2Confident75.7Confident132 Ų13275.4 Ų75.471%0.70641%0.409SS*.Hα-helixtrans-64.6-29.3176.7-45.9-84.1000113.5T721 P727T721-D723 PolarHBondContact O-N 3.47Å; T721-D723 PolarHBondContact OG1-N 3.12Å; T721-D723 PolarHBondContact OG1-OD2 3.37Å; D723-P727 WeakPolarHBondContact O-CD 3Å; D723-P727 WeakPolarHBondContact O-CG 3.4Å
724E75.7Confident75.1Confident94 Ų9471.6 Ų71.644%0.43940%0.399SS..Hα-helixtrans-81.2-35.4176.8-66175.4132.900111.7F720 T721 E722F720-E724 WeakPolarHBondContact CA-OE2 3.27Å; F720-E724 HydrophobicContact CD1-CB 4.43Å; T721-E724 PolarHBondContact N-OE2 3.45Å; T721-E724 PolarHBondContact O-N 3.26Å; T721-E724 VanDerWaalsContact O-N 3.14Å; T721-E724 PolarHBondContact OG1-N 3.16Å; E722-E724 VanDerWaalsContact C-N 3.29Å; E722-E724 PolarHBondContact O-N 2.86Å
725I75Confident74.7Confident1 Ų171.7 Ų71.71%0.00540%0.402CS..Hα-helixtrans-86.5-40.3-174.2-52.4159.8000111.6M712 L715 F716 F720 T721 E722 I728 F729M712-I725 HydrophobicContact CE-CG2 3.78Å; M712-I725 HydrophobicContact SD-CB 4.36Å; M712-I725 HydrophobicContact SD-CG2 3.41Å; M712-I725 WeakPolarHBondContact SD-CG2 3.44Å; L715-I725 HydrophobicContact CB-CD1 3.72Å; L715-I725 HydrophobicContact CB-CG1 4.05Å; L715-I725 HydrophobicContact CD1-CG1 4.22Å; L715-I725 HydrophobicContact CD1-CG2 3.87Å; F716-I725 HydrophobicContact CD1-CD1 3.94Å; F716-I725 HydrophobicContact CD2-CD1 4.34Å; F716-I725 HydrophobicContact CE1-CD1 3.87Å; F716-I725 HydrophobicContact CE2-CD1 4.27Å; F716-I725 HydrophobicContact CG-CD1 4.17Å; F716-I725 HydrophobicContact CZ-CD1 4.04Å; F720-I725 HydrophobicContact CB-CD1 3.83Å; F720-I725 HydrophobicContact CB-CG1 3.8Å; T721-I725 WeakPolarHBondContact O-CD1 3.04Å; T721-I725 VanDerWaalsContact O-CG1 3.27Å; T721-I725 WeakPolarHBondContact O-CG1 3.3Å; T721-I725 PolarHBondContact O-N 2.93Å; E722-I725 PolarHBondContact O-N 2.82Å; I725-I728 PolarHBondContact O-N 3.42Å; I725-F729 HydrophobicContact CG2-CD2 3.55Å; I725-F729 HydrophobicContact CG2-CE2 3.95Å; I725-F729 WeakPolarHBondContact O-CD2 3.04Å; I725-F729 PolarHBondContact O-N 2.91Å
726Q71.7Confident74.4Confident107 Ų10772.2 Ų72.250%0.540%0.404SS..Hα-helixtrans-49.5-53.9179.4-88-166.417.600114.1E722 I728 F729 A730E722-Q726 HydrophobicContact CG-CG 3.84Å; E722-Q726 VanDerWaalsContact O-CB 3.3Å; E722-Q726 WeakPolarHBondContact O-CB 3.49Å; E722-Q726 WeakPolarHBondContact O-CG 3.44Å; E722-Q726 PolarHBondContact O-N 3.05Å; E722-Q726 PolarHBondContact OE1-NE2 3.05Å; Q726-I728 PolarHBondContact O-N 3.4Å; Q726-I728 VanDerWaalsContact O-N 3.13Å; Q726-F729 CarbonylContact O-C 3.54Å; Q726-F729 PolarHBondContact O-N 3.41Å; Q726-F729 VanDerWaalsContact O-N 3.12Å; Q726-A730 WeakPolarHBondContact O-CB 3.23Å; Q726-A730 PolarHBondContact O-N 2.98Å
727P70.8Confident74.4Confident87 Ų8770 Ų7057%0.56540%0.396SS*.Hα-helixtrans-65.5-20.1-174.625.1-34.8000113.7D723D723-P727 WeakPolarHBondContact O-CD 3Å; D723-P727 WeakPolarHBondContact O-CG 3.4Å
728I67.8Low74.2Confident15 Ų1573.4 Ų73.48%0.07740%0.399CS..Hα-helixtrans-87.5-25.6-180-57.1-178.7000111.1I725 Q726 A739 L743I725-I728 PolarHBondContact O-N 3.42Å; Q726-I728 PolarHBondContact O-N 3.4Å; Q726-I728 VanDerWaalsContact O-N 3.13Å; I728-A739 HydrophobicContact CG2-CB 3.58Å; I728-A739 WeakPolarHBondContact CG2-O 3.35Å; I728-L743 HydrophobicContact CD1-CB 3.82Å; I728-L743 HydrophobicContact CD1-CD1 3.65Å; I728-L743 HydrophobicContact CD1-CD2 4.5Å; I728-L743 HydrophobicContact CD1-CG 4.15Å
729F72.4Confident74.2Confident11 Ų1170.5 Ų70.55%0.04839%0.387CS..Hα-helixtrans-116.116.9179.2-67.7-79.8000114.1R708 V711 M712 L715 I725 Q726 V736 A739R708-F729 HydrophobicContact CG-CD1 3.75Å; R708-F729 HydrophobicContact CG-CE1 4.36Å; R708-F729 HydrophobicContact CG-CG 4.36Å; R708-F729 PolarHBondContact NH1-O 3.38Å; V711-F729 HydrophobicContact CG1-CE1 4.34Å; V711-F729 HydrophobicContact CG1-CE2 4.23Å; V711-F729 HydrophobicContact CG1-CZ 3.62Å; M712-F729 HydrophobicContact CE-CB 3.52Å; M712-F729 HydrophobicContact CE-CD2 4.13Å; M712-F729 HydrophobicContact CE-CG 3.99Å; L715-F729 HydrophobicContact CD1-CE2 3.78Å; L715-F729 HydrophobicContact CD1-CZ 4.44Å; I725-F729 HydrophobicContact CG2-CD2 3.55Å; I725-F729 HydrophobicContact CG2-CE2 3.95Å; I725-F729 WeakPolarHBondContact O-CD2 3.04Å; I725-F729 PolarHBondContact O-N 2.91Å; Q726-F729 CarbonylContact O-C 3.54Å; Q726-F729 PolarHBondContact O-N 3.41Å; Q726-F729 VanDerWaalsContact O-N 3.12Å; F729-V736 HydrophobicContact CE1-CB 4.45Å; F729-V736 HydrophobicContact CE1-CG1 4.11Å; F729-V736 HydrophobicContact CE1-CG2 4.27Å; F729-V736 HydrophobicContact CZ-CG1 4.48Å; F729-A739 HydrophobicContact CD1-CB 4.36Å; F729-A739 HydrophobicContact CE1-CB 3.74Å; F729-A739 HydrophobicContact CE2-CB 4.39Å; F729-A739 HydrophobicContact CZ-CB 3.76Å
730A66.9Low74.4Confident76 Ų7667.7 Ų67.763%0.62836%0.358SS*.SBendtrans-66.4-44.217400000111.5Q726 T732Q726-A730 WeakPolarHBondContact O-CB 3.23Å; Q726-A730 PolarHBondContact O-N 2.98Å; A730-T732 PolarHBondContact O-N 3.01Å
731D62.8Low74.4Confident106 Ų10669.6 Ų69.657%0.56737%0.368SS*.  trans-74.1113.6176.6-83.9-39.7000111.4R708 N733 T734R708-D731 PolarHBondContact NH1-O 3.26Å; R708-D731 PolarHBondContact NH2-O 2.77Å; D731-N733 PolarHBondContact O-N 3.23Å; D731-T734 VanDerWaalsContact CB-OG1 3.28Å; D731-T734 WeakPolarHBondContact CB-OG1 3.34Å; D731-T734 PolarHBondContact O-N 2.98Å; D731-T734 VanDerWaalsContact O-N 3.13Å
732T60Low74.5Confident100 Ų10070 Ų7061%0.61337%0.368SS*.THydrogen-bonded Turntrans-57.5-30.4172.149.10000112.4R708 A730 T734R708-T732 PolarHBondContact NH2-O 3.37Å; R708-T732 VanDerWaalsContact NH2-O 3.16Å; A730-T732 PolarHBondContact O-N 3.01Å; T732-T734 PolarHBondContact O-N 2.97Å
733N61.9Low74.9Confident149 Ų14965.2 Ų65.280%0.79735%0.346SS*.THydrogen-bonded Turntrans-79.3-9.5179.3-64.2-63.2000114.8D731 N735D731-N733 PolarHBondContact O-N 3.23Å; N733-N735 PolarHBondContact O-N 3.34Å
734T68.8Low75.3Confident38 Ų3862.1 Ų62.123%0.23333%0.325CS..SBendtrans-74.6124.1-177.8-71.50000111.6R708 D731 T732 V736 A739R708-T734 PolarHBondContact NH2-O 3.44Å; D731-T734 VanDerWaalsContact CB-OG1 3.28Å; D731-T734 WeakPolarHBondContact CB-OG1 3.34Å; D731-T734 PolarHBondContact O-N 2.98Å; D731-T734 VanDerWaalsContact O-N 3.13Å; T732-T734 PolarHBondContact O-N 2.97Å; T734-V736 PolarHBondContact O-N 3.37Å; T734-A739 HydrophobicContact CG2-CB 3.93Å
735N75.4Confident75.8Confident58 Ų5862.9 Ų62.931%0.3133%0.331SS..  trans-62.6123.5172.6179.8-13.8000109.7N733 E737 R738 A739N733-N735 PolarHBondContact O-N 3.34Å; N735-E737 PolarHBondContact O-N 3.15Å; N735-E737 WeakPolarHBondContact OD1-CB 3.4Å; N735-E737 PolarHBondContact OD1-N 3Å; N735-R738 HydrophobicContact CB-CB 4.29Å; N735-R738 WeakPolarHBondContact O-CA 3.36Å; N735-R738 WeakPolarHBondContact O-CB 3.38Å; N735-R738 PolarHBondContact O-N 3.28Å; N735-A739 PolarHBondContact O-N 2.96Å
736V80.8Confident76.1Confident10 Ų1071 Ų716%0.06136%0.362CS..Hα-helixtrans-54.5-36.2-1791790000112.7I707 V711 F729 T734 R738 A739 L740 L759I707-V736 HydrophobicContact CG2-CB 4.37Å; I707-V736 HydrophobicContact CG2-CG1 4.13Å; I707-V736 HydrophobicContact CG2-CG2 4.18Å; V711-V736 HydrophobicContact CB-CG1 4.27Å; V711-V736 HydrophobicContact CG1-CG1 4.28Å; V711-V736 HydrophobicContact CG2-CG1 3.76Å; F729-V736 HydrophobicContact CE1-CB 4.45Å; F729-V736 HydrophobicContact CE1-CG1 4.11Å; F729-V736 HydrophobicContact CE1-CG2 4.27Å; F729-V736 HydrophobicContact CZ-CG1 4.48Å; T734-V736 PolarHBondContact O-N 3.37Å; V736-R738 VanDerWaalsContact C-N 3.34Å; V736-R738 PolarHBondContact O-N 3.24Å; V736-A739 PolarHBondContact O-N 2.95Å; V736-L740 HydrophobicContact CG1-CD1 4.19Å; V736-L740 WeakPolarHBondContact O-CG 3.43Å; V736-L740 PolarHBondContact O-N 3.09Å; V736-L759 HydrophobicContact CG1-CD1 4.31Å
737E82.3Confident76.5Confident48 Ų4868.4 Ų68.422%0.22436%0.355CS..Hα-helixtrans-66.6-37.4177-168.2170.8165.700111.6N735 L740 I741 T763N735-E737 PolarHBondContact O-N 3.15Å; N735-E737 WeakPolarHBondContact OD1-CB 3.4Å; N735-E737 PolarHBondContact OD1-N 3Å; E737-L740 PolarHBondContact O-N 3.32Å; E737-I741 HydrophobicContact CG-CD1 4.38Å; E737-I741 WeakPolarHBondContact O-CD1 3.47Å; E737-I741 VanDerWaalsContact O-CG1 3.25Å; E737-I741 WeakPolarHBondContact O-CG1 3.28Å; E737-I741 PolarHBondContact O-N 3.39Å; E737-T763 HydrophobicContact CB-CG2 4.38Å; E737-T763 WeakPolarHBondContact OE2-CB 3.44Å; E737-T763 PolarHBondContact OE2-OG1 2.94Å
738R81.3Confident76.9Confident193 Ų19367.2 Ų67.273%0.72836%0.359SS*.Hα-helixtrans-73-38.6176.9-162.5-178.6-139.4155.17.2112N735 V736 I741 D742N735-R738 HydrophobicContact CB-CB 4.29Å; N735-R738 WeakPolarHBondContact O-CA 3.36Å; N735-R738 WeakPolarHBondContact O-CB 3.38Å; N735-R738 PolarHBondContact O-N 3.28Å; V736-R738 VanDerWaalsContact C-N 3.34Å; V736-R738 PolarHBondContact O-N 3.24Å; R738-I741 PolarHBondContact O-N 2.8Å; R738-D742 PolarHBondContact O-N 2.87Å
739A82.4Confident77.5Confident3 Ų369.3 Ų69.33%0.02537%0.368CS..Hα-helixtrans-58.8-44.7171.500000112I728 F729 T734 N735 V736 D742 L743I728-A739 HydrophobicContact CG2-CB 3.58Å; I728-A739 WeakPolarHBondContact CG2-O 3.35Å; F729-A739 HydrophobicContact CD1-CB 4.36Å; F729-A739 HydrophobicContact CE1-CB 3.74Å; F729-A739 HydrophobicContact CE2-CB 4.39Å; F729-A739 HydrophobicContact CZ-CB 3.76Å; T734-A739 HydrophobicContact CG2-CB 3.93Å; N735-A739 PolarHBondContact O-N 2.96Å; V736-A739 PolarHBondContact O-N 2.95Å; A739-D742 PolarHBondContact O-N 3.16Å; A739-L743 WeakPolarHBondContact O-CB 3.36Å; A739-L743 PolarHBondContact O-N 3.3Å
740L86.2Confident77.8Confident0 Ų073.2 Ų73.20%040%0.395CS..Hα-helixtrans-71.4-32.5177.4-71.8173000113.2V711 L715 V736 E737 R744 I752 L755 I756 L759V711-L740 HydrophobicContact CG1-CD1 4.1Å; V711-L740 HydrophobicContact CG1-CD2 3.84Å; V711-L740 HydrophobicContact CG1-CG 4.21Å; V711-L740 HydrophobicContact CG2-CD1 4.25Å; L715-L740 HydrophobicContact CD1-CD2 4.15Å; L715-L740 HydrophobicContact CD2-CD2 4.05Å; L715-L740 HydrophobicContact CG-CD2 4.46Å; V736-L740 HydrophobicContact CG1-CD1 4.19Å; V736-L740 WeakPolarHBondContact O-CG 3.43Å; V736-L740 PolarHBondContact O-N 3.09Å; E737-L740 PolarHBondContact O-N 3.32Å; L740-R744 VanDerWaalsContact O-CB 3.29Å; L740-R744 WeakPolarHBondContact O-CB 3.35Å; L740-R744 PolarHBondContact O-N 2.74Å; L740-I752 HydrophobicContact CB-CG2 4.17Å; L740-I752 HydrophobicContact CD2-CG2 4.21Å; L740-I752 WeakPolarHBondContact O-CG2 3.37Å; L740-L755 HydrophobicContact CD1-CD2 3.96Å; L740-L755 HydrophobicContact CD1-CG 3.95Å; L740-L755 HydrophobicContact CD2-CD2 3.91Å; L740-I756 HydrophobicContact CB-CD1 4.08Å; L740-I756 HydrophobicContact CB-CG1 3.73Å; L740-I756 HydrophobicContact CD1-CG1 4.38Å; L740-L759 HydrophobicContact CD1-CD1 3.27Å
741I84.8Confident78.5Confident60 Ų6070 Ų7031%0.30837%0.369SS..Hα-helixtrans-63.2-46.8171.1-73.2163.6000110.7E737 R738 R744 D745 I756E737-I741 HydrophobicContact CG-CD1 4.38Å; E737-I741 WeakPolarHBondContact O-CD1 3.47Å; E737-I741 VanDerWaalsContact O-CG1 3.25Å; E737-I741 WeakPolarHBondContact O-CG1 3.28Å; E737-I741 PolarHBondContact O-N 3.39Å; R738-I741 PolarHBondContact O-N 2.8Å; I741-R744 PolarHBondContact O-N 2.91Å; I741-D745 WeakPolarHBondContact O-CB 3.43Å; I741-D745 PolarHBondContact O-N 3.08Å; I741-I756 HydrophobicContact CG1-CD1 4.08Å
742D83.9Confident79.5Confident72 Ų7264.9 Ų64.939%0.38534%0.342SS..Hα-helixtrans-62.5-43.8176.2-172.869.8000111.8R738 A739 R744 D745 R746R738-D742 PolarHBondContact O-N 2.87Å; A739-D742 PolarHBondContact O-N 3.16Å; D742-R744 PolarHBondContact O-N 3.05Å; D742-D745 PolarHBondContact O-N 3.2Å; D742-R746 WeakPolarHBondContact O-CB 3.09Å; D742-R746 VanDerWaalsContact O-CD 3.28Å; D742-R746 WeakPolarHBondContact O-CD 3.17Å; D742-R746 WeakPolarHBondContact O-CG 3.32Å; D742-R746 PolarHBondContact O-N 3.12Å; D742-R746 WeakPolarHBondContact OD2-CD 3.49Å; D742-R746 IonicContact OD2-CZ 3.77Å; D742-R746 IonicContact OD2-NE 2.92Å; D742-R746 IonicContact OD2-NH1 2.69Å; D742-R746 PolarHBondContact OD2-NH1 3.11Å
743L85.8Confident80.6Confident9 Ų963.2 Ų63.25%0.04733%0.329CS..Hα-helixtrans-64.5-39.5176.2-176.456.8000112.3L715 F720 I728 A739 R746 S747 I752L715-L743 HydrophobicContact CD1-CD2 3.66Å; L715-L743 HydrophobicContact CD2-CD2 3.58Å; L715-L743 HydrophobicContact CG-CD2 4.24Å; F720-L743 HydrophobicContact CD1-CD1 4.17Å; F720-L743 HydrophobicContact CE1-CD1 3.79Å; F720-L743 HydrophobicContact CE1-CD2 4.43Å; F720-L743 HydrophobicContact CE1-CG 4.3Å; F720-L743 HydrophobicContact CZ-CD1 4.35Å; F720-L743 HydrophobicContact CZ-CD2 4.44Å; F720-L743 HydrophobicContact CZ-CG 4.39Å; I728-L743 HydrophobicContact CD1-CB 3.82Å; I728-L743 HydrophobicContact CD1-CD1 3.65Å; I728-L743 HydrophobicContact CD1-CD2 4.5Å; I728-L743 HydrophobicContact CD1-CG 4.15Å; A739-L743 WeakPolarHBondContact O-CB 3.36Å; A739-L743 PolarHBondContact O-N 3.3Å; L743-R746 PolarHBondContact O-N 2.96Å; L743-S747 VanDerWaalsContact O-CB 3.24Å; L743-S747 WeakPolarHBondContact O-CB 3.43Å; L743-S747 PolarHBondContact O-N 2.88Å; L743-S747 PolarHBondContact O-OG 3.03Å; L743-I752 HydrophobicContact CB-CD1 4.4Å; L743-I752 HydrophobicContact CD2-CD1 4.1Å; L743-I752 HydrophobicContact CG-CD1 3.75Å
744R85.4Confident81.5Confident68 Ų6862.9 Ų62.926%0.25732%0.322SS..Hα-helixtrans-61.2-50.4173.7-176.8-161.263.2-159.7-6.3110.6L740 I741 D742 R746 S747 G748 I752 D753L740-R744 VanDerWaalsContact O-CB 3.29Å; L740-R744 WeakPolarHBondContact O-CB 3.35Å; L740-R744 PolarHBondContact O-N 2.74Å; I741-R744 PolarHBondContact O-N 2.91Å; D742-R744 PolarHBondContact O-N 3.05Å; R744-R746 PolarHBondContact O-N 2.94Å; R744-S747 PolarHBondContact O-N 2.9Å; R744-G748 WeakPolarHBondContact O-CA 3.23Å; R744-G748 PolarHBondContact O-N 2.78Å; R744-I752 HydrophobicContact CB-CB 4.29Å; R744-I752 HydrophobicContact CB-CG2 3.8Å; R744-I752 HydrophobicContact CG-CG2 4.48Å; R744-D753 VanDerWaalsContact CD-CG 3.48Å; R744-D753 WeakPolarHBondContact CD-OD1 3.34Å; R744-D753 WeakPolarHBondContact CD-OD2 3.49Å; R744-D753 IonicContact CZ-OD1 3.99Å; R744-D753 IonicContact NE-OD1 2.72Å; R744-D753 IonicContact NH1-OD1 2.74Å; R744-D753 PolarHBondContact NH1-OD1 2.74Å; R744-D753 VanDerWaalsContact NH1-OD1 3.12Å
745D84.4Confident82.3Confident109 Ų10961.7 Ų61.758%0.58332%0.315SS*.Hα-helixtrans-67.9-18.6-175.5-65.4-5.9000111.9I741 D742I741-D745 WeakPolarHBondContact O-CB 3.43Å; I741-D745 PolarHBondContact O-N 3.08Å; D742-D745 PolarHBondContact O-N 3.2Å
746R81.6Confident82.7Confident173 Ų17359.2 Ų59.265%0.65330%0.301SS*.Hα-helixtrans-95.7-26175.1-67164.876.3172.42.9114.7D742 L743 R744D742-R746 WeakPolarHBondContact O-CB 3.09Å; D742-R746 VanDerWaalsContact O-CD 3.28Å; D742-R746 WeakPolarHBondContact O-CD 3.17Å; D742-R746 WeakPolarHBondContact O-CG 3.32Å; D742-R746 PolarHBondContact O-N 3.12Å; D742-R746 WeakPolarHBondContact OD2-CD 3.49Å; D742-R746 IonicContact OD2-CZ 3.77Å; D742-R746 IonicContact OD2-NE 2.92Å; D742-R746 IonicContact OD2-NH1 2.69Å; D742-R746 PolarHBondContact OD2-NH1 3.11Å; L743-R746 PolarHBondContact O-N 2.96Å; R744-R746 PolarHBondContact O-N 2.94Å
747S80.4Confident82.7Confident51 Ų5162.7 Ų62.736%0.35732%0.32SS..Hα-helixtrans-111.1-25.5-174.866.50000115.3L743 R744 H749 I752L743-S747 VanDerWaalsContact O-CB 3.24Å; L743-S747 WeakPolarHBondContact O-CB 3.43Å; L743-S747 PolarHBondContact O-N 2.88Å; L743-S747 PolarHBondContact O-OG 3.03Å; R744-S747 PolarHBondContact O-N 2.9Å; S747-H749 PolarHBondContact O-N 2.92Å; S747-H749 PolarHBondContact OG-N 2.84Å; S747-I752 WeakPolarHBondContact OG-CD1 3.39Å
748G79.4Confident82.6Confident62 Ų6263.3 Ų63.364%0.63933%0.333SS*.  trans64.813.8-173.700000115.2R744R744-G748 WeakPolarHBondContact O-CA 3.23Å; R744-G748 PolarHBondContact O-N 2.78Å
749H81.5Confident82.3Confident59 Ų5954.4 Ų54.427%0.27330%0.3SS..  trans-76.2121.9-171.8-172.9-92.6000112.7F718 F720 S747 G751 I752F718-H749 AromaticContact CD1-CE1 3.8Å; F718-H749 AromaticContact CG-CE1 3.62Å; F720-H749 HydrophobicContact CE2-CB 4.15Å; F720-H749 HydrophobicContact CZ-CB 3.78Å; S747-H749 PolarHBondContact O-N 2.92Å; S747-H749 PolarHBondContact OG-N 2.84Å; H749-G751 VanDerWaalsContact C-N 3.34Å; H749-G751 PolarHBondContact ND1-N 3.19Å; H749-G751 PolarHBondContact O-N 3.02Å; H749-I752 HydrophobicContact CB-CD1 3.95Å; H749-I752 HydrophobicContact CB-CG1 4.19Å; H749-I752 WeakPolarHBondContact O-CB 3.44Å; H749-I752 PolarHBondContact O-N 3.36Å
750P78Confident81.8Confident94 Ų9459.7 Ų59.761%0.6132%0.319SS*.Hα-helixtrans-65.4-32-169.324.8-34.6000114I752 D753P750-I752 PolarHBondContact O-N 3.48Å; P750-I752 VanDerWaalsContact O-N 3.12Å; P750-D753 PolarHBondContact O-N 3.18Å; P750-D753 VanDerWaalsContact O-N 3.16Å
751G80.9Confident80.8Confident7 Ų763.4 Ų63.47%0.07234%0.343CS..Hα-helixtrans-62.9-16.317600000114F718 H749 L755F718-G751 VanDerWaalsContact CE2-O 3.25Å; F718-G751 WeakPolarHBondContact CE2-O 3.29Å; F718-G751 VanDerWaalsContact CZ-O 3.29Å; F718-G751 WeakPolarHBondContact CZ-O 3.25Å; H749-G751 VanDerWaalsContact C-N 3.34Å; H749-G751 PolarHBondContact ND1-N 3.19Å; H749-G751 PolarHBondContact O-N 3.02Å; G751-L755 WeakPolarHBondContact O-CB 3.25Å; G751-L755 PolarHBondContact O-N 2.71Å
752I85.3Confident79.8Confident0 Ų064.4 Ų64.40%035%0.348CS..Hα-helixtrans-74.3-36.9175.5-59173000111.2L715 F720 L740 L743 R744 S747 H749 P750 E754 L755 I756L715-I752 HydrophobicContact CD2-CG1 4.38Å; F720-I752 HydrophobicContact CE2-CD1 3.95Å; F720-I752 HydrophobicContact CE2-CG1 4.31Å; F720-I752 HydrophobicContact CZ-CD1 3.74Å; L740-I752 HydrophobicContact CB-CG2 4.17Å; L740-I752 HydrophobicContact CD2-CG2 4.21Å; L740-I752 WeakPolarHBondContact O-CG2 3.37Å; L743-I752 HydrophobicContact CB-CD1 4.4Å; L743-I752 HydrophobicContact CD2-CD1 4.1Å; L743-I752 HydrophobicContact CG-CD1 3.75Å; R744-I752 HydrophobicContact CB-CB 4.29Å; R744-I752 HydrophobicContact CB-CG2 3.8Å; R744-I752 HydrophobicContact CG-CG2 4.48Å; S747-I752 WeakPolarHBondContact OG-CD1 3.39Å; H749-I752 HydrophobicContact CB-CD1 3.95Å; H749-I752 HydrophobicContact CB-CG1 4.19Å; H749-I752 WeakPolarHBondContact O-CB 3.44Å; H749-I752 PolarHBondContact O-N 3.36Å; P750-I752 PolarHBondContact O-N 3.48Å; P750-I752 VanDerWaalsContact O-N 3.12Å; I752-E754 VanDerWaalsContact C-N 3.3Å; I752-E754 PolarHBondContact O-N 3.38Å; I752-L755 PolarHBondContact O-N 3.37Å; I752-I756 HydrophobicContact CG2-CD1 3.81Å; I752-I756 HydrophobicContact CG2-CG1 4.17Å; I752-I756 WeakPolarHBondContact O-CB 3.27Å; I752-I756 VanDerWaalsContact O-CG1 3.28Å; I752-I756 WeakPolarHBondContact O-CG1 3.49Å; I752-I756 PolarHBondContact O-N 3.12Å
753D81.6Confident78.5Confident64 Ų6461.5 Ų61.534%0.34233%0.333SS..Hα-helixtrans-67.1-34.6174.5-79.8-53.6000111R744 P750 N757R744-D753 VanDerWaalsContact CD-CG 3.48Å; R744-D753 WeakPolarHBondContact CD-OD1 3.34Å; R744-D753 WeakPolarHBondContact CD-OD2 3.49Å; R744-D753 IonicContact CZ-OD1 3.99Å; R744-D753 IonicContact NE-OD1 2.72Å; R744-D753 IonicContact NH1-OD1 2.74Å; R744-D753 PolarHBondContact NH1-OD1 2.74Å; R744-D753 VanDerWaalsContact NH1-OD1 3.12Å; P750-D753 PolarHBondContact O-N 3.18Å; P750-D753 VanDerWaalsContact O-N 3.16Å; D753-N757 VanDerWaalsContact O-CB 3.29Å; D753-N757 WeakPolarHBondContact O-CB 3.46Å; D753-N757 PolarHBondContact O-N 2.73Å; D753-N757 PolarHBondContact O-ND2 2.83Å
754E82Confident76.8Confident142 Ų14264.7 Ų64.766%0.66436%0.356SS*.Hα-helixtrans-60.8-46.4169.9-63.5-175.9163.900111.4I752 N757 A758I752-E754 VanDerWaalsContact C-N 3.3Å; I752-E754 PolarHBondContact O-N 3.38Å; E754-N757 PolarHBondContact O-N 2.62Å; E754-A758 WeakPolarHBondContact O-CB 3.39Å; E754-A758 PolarHBondContact O-N 3Å
755L86Confident74.8Confident13 Ų1368 Ų687%0.06838%0.379CS..Hα-helixtrans-64.2-41.5177.5-173.459.4000112.8V711 Q714 L715 F718 L740 G751 I752 A758 L759V711-L755 HydrophobicContact CG1-CD2 4.24Å; V711-L755 HydrophobicContact CG2-CD1 4.48Å; V711-L755 HydrophobicContact CG2-CD2 4.42Å; Q714-L755 HydrophobicContact CB-CD1 4.19Å; Q714-L755 HydrophobicContact CB-CD2 4.06Å; Q714-L755 HydrophobicContact CG-CD1 4.1Å; L715-L755 HydrophobicContact CD2-CD2 4.33Å; F718-L755 HydrophobicContact CE2-CB 4.39Å; F718-L755 HydrophobicContact CE2-CD2 4.31Å; L740-L755 HydrophobicContact CD1-CD2 3.96Å; L740-L755 HydrophobicContact CD1-CG 3.95Å; L740-L755 HydrophobicContact CD2-CD2 3.91Å; G751-L755 WeakPolarHBondContact O-CB 3.25Å; G751-L755 PolarHBondContact O-N 2.71Å; I752-L755 PolarHBondContact O-N 3.37Å; L755-A758 PolarHBondContact O-N 2.93Å; L755-L759 HydrophobicContact CD1-CD1 4.12Å; L755-L759 HydrophobicContact CD1-CG 4.41Å; L755-L759 HydrophobicContact CG-CD1 3.96Å; L755-L759 WeakPolarHBondContact O-CB 3.49Å; L755-L759 WeakPolarHBondContact O-CD1 3.44Å; L755-L759 VanDerWaalsContact O-CG 3.23Å; L755-L759 WeakPolarHBondContact O-CG 3.42Å; L755-L759 PolarHBondContact O-N 2.82Å
756I83.6Confident72.8Confident6 Ų664.6 Ų64.63%0.03136%0.361CS..Hα-helixtrans-63.1-43.2173.8-70.2166.9000110.4L740 I741 I752 L759 R760L740-I756 HydrophobicContact CB-CD1 4.08Å; L740-I756 HydrophobicContact CB-CG1 3.73Å; L740-I756 HydrophobicContact CD1-CG1 4.38Å; I741-I756 HydrophobicContact CG1-CD1 4.08Å; I752-I756 HydrophobicContact CG2-CD1 3.81Å; I752-I756 HydrophobicContact CG2-CG1 4.17Å; I752-I756 WeakPolarHBondContact O-CB 3.27Å; I752-I756 VanDerWaalsContact O-CG1 3.28Å; I752-I756 WeakPolarHBondContact O-CG1 3.49Å; I752-I756 PolarHBondContact O-N 3.12Å; I756-L759 PolarHBondContact O-N 2.88Å; I756-R760 PolarHBondContact O-N 3.42Å
757N80.3Confident70.7Confident83 Ų8360.2 Ų60.244%0.44435%0.349SS..Hα-helixtrans-65.3-38.3177.4-74.4-45.6000112.1D753 E754 R760 P761D753-N757 VanDerWaalsContact O-CB 3.29Å; D753-N757 WeakPolarHBondContact O-CB 3.46Å; D753-N757 PolarHBondContact O-N 2.73Å; D753-N757 PolarHBondContact O-ND2 2.83Å; E754-N757 PolarHBondContact O-N 2.62Å; N757-R760 VanDerWaalsContact OD1-CZ 3.24Å; N757-R760 PolarHBondContact OD1-NH1 2.85Å; N757-R760 PolarHBondContact OD1-NH2 2.81Å; N757-P761 WeakPolarHBondContact O-CD 3.43Å
758A79.6Confident68.3Low61 Ų6163.1 Ų63.150%0.50437%0.367SS..Hα-helixtrans-69.9-33.1175.700000113.2E754 L755 P761E754-A758 WeakPolarHBondContact O-CB 3.39Å; E754-A758 PolarHBondContact O-N 3Å; L755-A758 PolarHBondContact O-N 2.93Å; A758-P761 WeakPolarHBondContact O-CD 3.41Å; A758-P761 WeakPolarHBondContact O-CG 3.46Å
759L75.2Confident65.9Low7 Ų766.8 Ų66.84%0.03738%0.377CS..Hα-helixtrans-80.9-26.9178.7-73165.7000113.8I707 V711 V736 L740 L755 I756 I762 T763I707-L759 HydrophobicContact CG2-CD2 3.97Å; V711-L759 HydrophobicContact CG2-CD1 3.61Å; V711-L759 HydrophobicContact CG2-CD2 4.25Å; V736-L759 HydrophobicContact CG1-CD1 4.31Å; L740-L759 HydrophobicContact CD1-CD1 3.27Å; L755-L759 HydrophobicContact CD1-CD1 4.12Å; L755-L759 HydrophobicContact CD1-CG 4.41Å; L755-L759 HydrophobicContact CG-CD1 3.96Å; L755-L759 WeakPolarHBondContact O-CB 3.49Å; L755-L759 WeakPolarHBondContact O-CD1 3.44Å; L755-L759 VanDerWaalsContact O-CG 3.23Å; L755-L759 WeakPolarHBondContact O-CG 3.42Å; L755-L759 PolarHBondContact O-N 2.82Å; I756-L759 PolarHBondContact O-N 2.88Å; L759-I762 HydrophobicContact CD2-CD1 4.49Å; L759-I762 CarbonylContact O-C 3.32Å; L759-I762 WeakPolarHBondContact O-CA 3.43Å; L759-I762 WeakPolarHBondContact O-CB 3.26Å; L759-I762 PolarHBondContact O-N 3.02Å; L759-T763 HydrophobicContact CB-CG2 4.43Å; L759-T763 PolarHBondContact O-N 3.38Å; L759-T763 PolarHBondContact O-OG1 2.8Å
760R73.1Confident63.4Low114 Ų11471.5 Ų71.543%0.4340%0.404SS..Hα-helixtrans-48.6-45.7-179.8-167.4178.1-60.2119.49.5115.1I756 N757 I762 T763 S764I756-R760 PolarHBondContact O-N 3.42Å; N757-R760 VanDerWaalsContact OD1-CZ 3.24Å; N757-R760 PolarHBondContact OD1-NH1 2.85Å; N757-R760 PolarHBondContact OD1-NH2 2.81Å; R760-I762 PolarHBondContact O-N 3.33Å; R760-T763 PolarHBondContact O-OG1 2.8Å; R760-S764 WeakPolarHBondContact O-CB 3.48Å; R760-S764 PolarHBondContact O-N 3.38Å; R760-S764 PolarHBondContact O-OG 3.06Å
761P63.9Low61Low77 Ų7770.5 Ų70.550%0.539%0.393SS..Hα-helixtrans-71.9-12.5174.928.9-36.6000114.4N757 A758 N765N757-P761 WeakPolarHBondContact O-CD 3.43Å; A758-P761 WeakPolarHBondContact O-CD 3.41Å; A758-P761 WeakPolarHBondContact O-CG 3.46Å; P761-N765 PolarHBondContact O-ND2 3.02Å
762I64Low58.9Low82 Ų8275.7 Ų75.742%0.42143%0.426SS..Hα-helixtrans-93.5-43.1178.8-53.8177.5000109.8I707 L759 R760 N765I707-I762 HydrophobicContact CD1-CG2 3.88Å; I707-I762 HydrophobicContact CG1-CG2 4.37Å; L759-I762 HydrophobicContact CD2-CD1 4.49Å; L759-I762 CarbonylContact O-C 3.32Å; L759-I762 WeakPolarHBondContact O-CA 3.43Å; L759-I762 WeakPolarHBondContact O-CB 3.26Å; L759-I762 PolarHBondContact O-N 3.02Å; R760-I762 PolarHBondContact O-N 3.33Å; I762-N765 PolarHBondContact O-N 3.13Å
763T57.7Low56.4Low11 Ų1181.1 Ų81.17%0.06746%0.455CS..Hα-helixtrans-69.7-35.917857.80000112.3E737 L759 R760 N765 L766 L767E737-T763 HydrophobicContact CB-CG2 4.38Å; E737-T763 WeakPolarHBondContact OE2-CB 3.44Å; E737-T763 PolarHBondContact OE2-OG1 2.94Å; L759-T763 HydrophobicContact CB-CG2 4.43Å; L759-T763 PolarHBondContact O-N 3.38Å; L759-T763 PolarHBondContact O-OG1 2.8Å; R760-T763 PolarHBondContact O-OG1 2.8Å; T763-N765 PolarHBondContact O-N 3.27Å; T763-L766 PolarHBondContact O-N 3.29Å; T763-L767 WeakPolarHBondContact O-CD1 3.26Å
764S48.8Very low54.1Low75 Ų7583.6 Ų83.652%0.52447%0.468SS..THydrogen-bonded Turntrans-64.2-19.7178.8610000114.5R760R760-S764 WeakPolarHBondContact O-CB 3.48Å; R760-S764 PolarHBondContact O-N 3.38Å; R760-S764 PolarHBondContact O-OG 3.06Å
765N43.4Very low51.9Low137 Ų13783.2 Ų83.273%0.73348%0.475SS*.THydrogen-bonded Turntrans-90.4-2.3175.5-74-52.3000113.5P761 I762 T763P761-N765 PolarHBondContact O-ND2 3.02Å; I762-N765 PolarHBondContact O-N 3.13Å; T763-N765 PolarHBondContact O-N 3.27Å
766L42.6Very low49.2Very low39 Ų3993.7 Ų93.720%0.20451%0.514CS..THydrogen-bonded Turntrans-120.8-0.7-172-73.2171.5000114.8I707 T763I707-L766 HydrophobicContact CD1-CD1 3.44Å; I707-L766 VanDerWaalsContact CD1-CD1 3.44Å; T763-L766 PolarHBondContact O-N 3.29Å
767L37.3Very low46.7Very low80 Ų80101.6 Ų101.642%0.41955%0.551SS.*SBendtrans-119.2144.8174.7-78.989.1000111.7T763T763-L767 WeakPolarHBondContact O-CD1 3.26Å
768P30.1Very low44.1Very low113 Ų113106.2 Ų106.273%0.73457%0.57SS**  trans-61.1137.3160.229-33.5000109.3L770P768-L770 PolarHBondContact O-N 3.22Å
769T28.4Very low42Very low138 Ų138109 Ų10985%0.84759%0.585SS**  trans-6698-16448.70000113.9N771T769-N771 PolarHBondContact O-N 3.02Å
770L29.9Very low39.8Very low158 Ų158116 Ų11683%0.82762%0.622SS**  trans-71.4107.1157.2-94.5159.6000108.6P768 P772P768-L770 PolarHBondContact O-N 3.22Å; L770-P772 VanDerWaalsContact O-CD 3.23Å; L770-P772 WeakPolarHBondContact O-CD 3.47Å
771N27.8Very low38Very low73 Ų73118.7 Ų118.739%0.3965%0.645SS.*  trans-57115-175.4177.926.1000112.2T769 N773 D774T769-N771 PolarHBondContact O-N 3.02Å; N771-N773 PolarHBondContact O-N 3.45Å; N771-N773 WeakPolarHBondContact OD1-CB 3.26Å; N771-N773 PolarHBondContact OD1-N 3.41Å; N771-N773 PolarHBondContact OD1-ND2 3.25Å; N771-D774 WeakPolarHBondContact CB-OD2 3.43Å; N771-D774 VanDerWaalsContact ND2-CG 3.34Å; N771-D774 PolarHBondContact ND2-OD2 3.05Å
772P36.1Very low36.4Very low116 Ų116121 Ų12175%0.75366%0.66SS**THydrogen-bonded Turntrans-67.1-8.7-178.9-23.135.7000114.9L770L770-P772 VanDerWaalsContact O-CD 3.23Å; L770-P772 WeakPolarHBondContact O-CD 3.47Å
773N33.7Very low34.7Very low115 Ų115120.3 Ų120.362%0.61567%0.673SS**THydrogen-bonded Turntrans-87.1-14.5-172.8-61-72.9000114.6N771 V775N771-N773 PolarHBondContact O-N 3.45Å; N771-N773 WeakPolarHBondContact OD1-CB 3.26Å; N771-N773 PolarHBondContact OD1-N 3.41Å; N771-N773 PolarHBondContact OD1-ND2 3.25Å; N773-V775 VanDerWaalsContact C-N 3.31Å; N773-V775 PolarHBondContact O-N 3.46Å
774D32.7Very low33.5Very low115 Ų115128.8 Ų128.862%0.61571%0.712SS**THydrogen-bonded Turntrans-82.3-3.6-174.5-67.5-48.3000114.3N771N771-D774 WeakPolarHBondContact CB-OD2 3.43Å; N771-D774 VanDerWaalsContact ND2-CG 3.34Å; N771-D774 PolarHBondContact ND2-OD2 3.05Å
775V35.1Very low32.3Very low134 Ų134131 Ų13181%0.81273%0.727SS**THydrogen-bonded Turntrans-9810.8-177.1-166.60000112.6N773N773-V775 VanDerWaalsContact C-N 3.31Å; N773-V775 PolarHBondContact O-N 3.46Å
776R31Very low31.9Very low234 Ų234131.8 Ų131.888%0.88373%0.73SS**SBendtrans-1308.8-176-100.9-174.7164.8-157.7-6.5117
777Q29.2Very low31.3Very low172 Ų172136.9 Ų136.980%0.80476%0.757SS**  trans-108.856.2177.7-70.1-17182.900113.2
778Q27.5Very low31.1Very low180 Ų180139 Ų13984%0.84178%0.776SS**  trans-147.475.3163.5-161.9160.819.300111.9
779S34.8Very low31.1Very low119 Ų119140.8 Ų140.883%0.83278%0.779SS**  trans-155.6101168.2-67.50000108.4
780D29.2Very low31.3Very low153 Ų153146 Ų14682%0.81878%0.783SS**  trans-64.9133.6179.1-57.6-93000111.9
781L35.5Very low31.1Very low172 Ų172143.4 Ų143.490%0.90178%0.779SS**  trans175.9132139-95156.1000109.9
782P29Very low31.4Very low125 Ų125148 Ų14881%0.81280%0.8SS**  trans-93.5135.3-17034.3-33.7000114.5
783G29.4Very low31.1Very low68 Ų68149.5 Ų149.570%0.70180%0.801SS**  trans86.2107.9144.200000118.6
784Q31.7Very low31Very low188 Ų188147.8 Ų147.888%0.87980%0.803SS**  -167.3129.1116.3-106.8169.47500110.9
785S23.6Very low31Very low122 Ų122150.4 Ų150.485%0.85381%0.814SS**  trans-109.5114177.745.70000110.8
786I36.3Very low30.8Very low154 Ų154155.7 Ų155.779%0.7982%0.819SS**  trans-131.8125.5166.7-56.3-177.5000108.1
787N28.2Very low31Very low146 Ų146148.2 Ų148.278%0.78182%0.815SS**  trans-100115.8-168.7-173.80.9000110.7N789N787-N789 PolarHBondContact O-N 3.16Å; N787-N789 VanDerWaalsContact O-N 3.14Å
788P34.9Very low31.1Very low123 Ų123146.6 Ų146.680%0.79981%0.812SS**  trans-8783.1-173.134.7-34.5000111.9
789N28.4Very low31.2Very low152 Ų152145.3 Ų145.381%0.81381%0.806SS**  trans-140.772.7164.5-141-20.2000112.3N787N787-N789 PolarHBondContact O-N 3.16Å; N787-N789 VanDerWaalsContact O-N 3.14Å
790R32.8Very low31Very low246 Ų246147.2 Ų147.293%0.92880%0.804SS**  trans-129.6112.7164.4-100.8-169.3177.7-165.10.4109.5
791S25.6Very low31.2Very low105 Ų105148.8 Ų148.873%0.73481%0.808SS**  trans-65.9133.9164.5176.30000110.2
792M35Very low30.8Very low170 Ų170150.5 Ų150.584%0.83781%0.809SS**  -162.7151.7121.6-108.6-164.6-64.200112.7
793N29.3Very low30.8Very low146 Ų146149.8 Ų149.878%0.78181%0.806SS**  trans-36.3138.6170.3-49.8-44.1000114.8
794A31.5Very low30.8Very low79 Ų79154 Ų15465%0.65381%0.813SS**  173.7140.395.600000114.2
795M33.3Very low30.5Very low171 Ų171152.1 Ų152.184%0.84281%0.807SS**  trans52.1115141.3-66.4-169.2-69.700121.7
796R30Very low30.8Very low244 Ų244152.1 Ų152.192%0.92180%0.804SS**  72.894.7114-163.7-173.5-157.8-1247.4118.2
797G34.8Very low30.4Very low77 Ų77150.7 Ų150.779%0.79480%0.803SS**  trans-163124.7162.700000110.9
798N32Very low30.3Very low138 Ų138148.7 Ų148.774%0.73880%0.8SS**  trans-95.5154.5-170.3-93.533000113.8
799E30Very low29.8Very low153 Ų153147.7 Ų147.772%0.71580%0.796SS**  trans79.6146.7141.3-77.8157.2-126.400122.7
800M29.8Very low29.9Very low160 Ų160146.6 Ų146.679%0.78879%0.79SS**  trans63.298.2164.6-64.3-177-74.100118.9
801M33.5Very low29.8Very low186 Ų186139.2 Ų139.292%0.91678%0.776SS**  -179.5159.388-84.5-158.2-166.700113.1
802K26.8Very low30.2Very low208 Ų208139.1 Ų139.190%0.90477%0.767SS**  trans-47.9128.7-173.8-65.9166.5172.7174.40116.5
803S29.5Very low30.5Very low109 Ų109137.8 Ų137.876%0.76276%0.759SS**  trans-147.3150.8137.363.10000109.5
804N29.4Very low31Very low157 Ų157134.7 Ų134.784%0.8475%0.747SS**  trans-86.7130.5-170.1-68.4-9.5000111.8
805I26Very low31.5Very low148 Ų148134 Ų13476%0.75974%0.735SS**  trans-115.799.6164.3-55.9177.1000108.2V807I805-V807 HydrophobicContact CG2-CG2 4.04Å; I805-V807 PolarHBondContact O-N 3.2Å
806P30.1Very low32.2Very low123 Ų123132.1 Ų132.180%0.79972%0.724SS**  trans-7895.6168.631-31.1000109.8S808P806-S808 PolarHBondContact O-N 3.25Å
807V27.1Very low33.4Very low124 Ų124125.8 Ų125.875%0.75271%0.708SS**  trans-78.3108.5161.6177.20000108I805I805-V807 HydrophobicContact CG2-CG2 4.04Å; I805-V807 PolarHBondContact O-N 3.2Å
808S25.7Very low35.1Very low103 Ų103123.3 Ų123.372%0.7268%0.677SS**  trans-178.1154150.1-86.60000114.1P806P806-S808 PolarHBondContact O-N 3.25Å
809S25.9Very low37Very low103 Ų103123.2 Ų123.272%0.7267%0.672SS**  trans43.9105.3151.960.30000119.3
810N30.1Very low39.2Very low128 Ų128119.5 Ų119.568%0.68466%0.657SS**  trans-14058.5144.8-150.7-10.8000111.8N812N810-N812 VanDerWaalsContact C-N 3.35Å
811S31.2Very low41.6Very low91 Ų91113.9 Ų113.964%0.63663%0.633SS**  trans-86.6-0.7178.646.70000114.1
812N33.9Very low44.1Very low103 Ų103107 Ų10755%0.55160%0.6SS**  trans-110.20.8-161.1-62.311.8000113.9N810 T815N810-N812 VanDerWaalsContact C-N 3.35Å; N812-T815 PolarHBondContact O-N 2.75Å; N812-T815 PolarHBondContact O-OG1 2.79Å
813Q40.1Very low46.9Very low142 Ų142101.1 Ų101.166%0.66458%0.576SS**Hα-helixtrans-58-28.6179-102.1-174-19.800117.5T815Q813-T815 PolarHBondContact O-N 3.16Å
814P40.1Very low49.7Very low81 Ų81100.3 Ų100.353%0.52656%0.562SS.*Hα-helixtrans-72.8-23.6-177.826.9-34.2000114.1L818P814-L818 WeakPolarHBondContact O-CG 3.5Å; P814-L818 PolarHBondContact O-N 2.92Å
815T42.7Very low52.5Low66 Ų6693.7 Ų93.741%0.40553%0.526SS..Hα-helixtrans-74.3-39.8-172.644.20000113.5N812 Q813 N817 L818 E819N812-T815 PolarHBondContact O-N 2.75Å; N812-T815 PolarHBondContact O-OG1 2.79Å; Q813-T815 PolarHBondContact O-N 3.16Å; T815-N817 VanDerWaalsContact C-N 3.29Å; T815-N817 PolarHBondContact O-N 3.3Å; T815-L818 PolarHBondContact O-N 3.22Å; T815-E819 PolarHBondContact O-N 3.42Å
816E47.3Very low55.5Low131 Ų13190.7 Ų90.761%0.61251%0.509SS*.Hα-helixtrans-64.2-35.5179.5-63.3178.3-174.700111.9E819 L820E816-E819 PolarHBondContact O-N 3.4Å; E816-L820 WeakPolarHBondContact O-CB 3.34Å; E816-L820 WeakPolarHBondContact O-CG 3.39Å; E816-L820 PolarHBondContact O-N 3.26Å
817N55.3Low58.4Low110 Ų11090.8 Ų90.859%0.58850%0.499SS*.Hα-helixtrans-71.4-36.4178.7-149.2-55.4000111.9T815 S821T815-N817 VanDerWaalsContact C-N 3.29Å; T815-N817 PolarHBondContact O-N 3.3Å; N817-S821 VanDerWaalsContact O-CB 3.31Å; N817-S821 WeakPolarHBondContact O-CB 3.37Å; N817-S821 PolarHBondContact O-N 3.28Å; N817-S821 PolarHBondContact O-OG 2.93Å
818L70.7Confident61.3Low25 Ų2587.9 Ų87.913%0.13148%0.475CS..Hα-helixtrans-66.1-39.5171.4-68.8169.5000111.9P814 T815 S821 L822 L898 I901P814-L818 WeakPolarHBondContact O-CG 3.5Å; P814-L818 PolarHBondContact O-N 2.92Å; T815-L818 PolarHBondContact O-N 3.22Å; L818-S821 PolarHBondContact O-N 3.21Å; L818-L822 WeakPolarHBondContact O-CB 3.42Å; L818-L822 PolarHBondContact O-N 3.1Å; L818-L898 HydrophobicContact CD2-CD2 3.47Å; L818-L898 VanDerWaalsContact CD2-CD2 3.47Å; L818-I901 HydrophobicContact CD1-CG2 3.95Å; L818-I901 HydrophobicContact CD2-CG2 4.01Å
819E72.4Confident64.4Low136 Ų13685 Ų8564%0.63645%0.45SS*.Hα-helixtrans-67.5-45.9177.9-173.2172.2-179.500112.1T815 E816 S821 L822 Q823T815-E819 PolarHBondContact O-N 3.42Å; E816-E819 PolarHBondContact O-N 3.4Å; E819-S821 VanDerWaalsContact C-N 3.31Å; E819-S821 PolarHBondContact O-N 3.47Å; E819-L822 PolarHBondContact O-N 3.47Å; E819-Q823 PolarHBondContact O-N 2.96Å
820L75Confident67.5Low76 Ų7683.5 Ų83.540%0.39844%0.437SS..Hα-helixtrans-59.4-41.4172.7-72.5169.9000111.8E816 Q823 L824E816-L820 WeakPolarHBondContact O-CB 3.34Å; E816-L820 WeakPolarHBondContact O-CG 3.39Å; E816-L820 PolarHBondContact O-N 3.26Å; L820-Q823 PolarHBondContact O-N 2.91Å; L820-L824 WeakPolarHBondContact O-CB 3.49Å; L820-L824 PolarHBondContact O-N 3.4Å
821S80.9Confident70.5Confident41 Ų4183.2 Ų83.229%0.28743%0.431SS..Hα-helixtrans-63.6-40.7175.7-63.60000112.4N817 L818 E819 L825N817-S821 VanDerWaalsContact O-CB 3.31Å; N817-S821 WeakPolarHBondContact O-CB 3.37Å; N817-S821 PolarHBondContact O-N 3.28Å; N817-S821 PolarHBondContact O-OG 2.93Å; L818-S821 PolarHBondContact O-N 3.21Å; E819-S821 VanDerWaalsContact C-N 3.31Å; E819-S821 PolarHBondContact O-N 3.47Å; S821-L825 WeakPolarHBondContact O-CG 3.44Å; S821-L825 PolarHBondContact O-N 3.5Å; S821-L825 VanDerWaalsContact O-N 3.1Å
822L84.8Confident73.4Confident42 Ų4279.2 Ų79.222%0.2240%0.403CS..Hα-helixtrans-67.1-41.1176.9-175.362.5000111.8L818 E819 L825 Q826 A895 R899L818-L822 WeakPolarHBondContact O-CB 3.42Å; L818-L822 PolarHBondContact O-N 3.1Å; E819-L822 PolarHBondContact O-N 3.47Å; L822-L825 PolarHBondContact O-N 2.99Å; L822-Q826 WeakPolarHBondContact O-CB 3.25Å; L822-Q826 PolarHBondContact O-N 2.94Å; L822-A895 HydrophobicContact CD1-CB 4.17Å; L822-R899 HydrophobicContact CD1-CG 3.94Å; L822-R899 HydrophobicContact CD2-CG 4.17Å
823Q86.3Confident76.3Confident85 Ų8577.2 Ų77.240%0.39739%0.392SS..Hα-helixtrans-67.5-38.2177-172.1172.687.500112.2E819 L820 Q826 Q827E819-Q823 PolarHBondContact O-N 2.96Å; L820-Q823 PolarHBondContact O-N 2.91Å; Q823-Q826 PolarHBondContact O-N 3.45Å; Q823-Q827 PolarHBondContact O-N 3.33Å
824L88Confident78.8Confident91 Ų9176.3 Ų76.348%0.47639%0.387SS..Hα-helixtrans-63.7-41.4174.3-178.663.4000111.9M706 L820 Q827 R828M706-L824 HydrophobicContact SD-CD1 4.34Å; L820-L824 WeakPolarHBondContact O-CB 3.49Å; L820-L824 PolarHBondContact O-N 3.4Å; L824-Q827 PolarHBondContact O-N 3.25Å; L824-R828 PolarHBondContact O-N 3.14Å
825L89.6Confident81.4Confident18 Ų1874.5 Ų74.59%0.09438%0.375CS..Hα-helixtrans-67-36.3174.5-72.5168.5000112.3S821 L822 R828 E829 V891 Q894 A895 L898S821-L825 WeakPolarHBondContact O-CG 3.44Å; S821-L825 PolarHBondContact O-N 3.5Å; S821-L825 VanDerWaalsContact O-N 3.1Å; L822-L825 PolarHBondContact O-N 2.99Å; L825-R828 PolarHBondContact O-N 3.49Å; L825-E829 WeakPolarHBondContact O-CB 3.4Å; L825-E829 PolarHBondContact O-N 2.89Å; L825-V891 HydrophobicContact CB-CG1 4.35Å; L825-V891 HydrophobicContact CD2-CG1 4.09Å; L825-V891 WeakPolarHBondContact O-CG1 3.16Å; L825-Q894 HydrophobicContact CD1-CB 3.85Å; L825-Q894 HydrophobicContact CD2-CB 4.12Å; L825-A895 HydrophobicContact CB-CB 4.38Å; L825-A895 HydrophobicContact CD1-CB 4.37Å; L825-L898 HydrophobicContact CD1-CD1 3.42Å; L825-L898 VanDerWaalsContact CD1-CD1 3.42Å
826Q88.5Confident83.9Confident85 Ų8572.1 Ų72.140%0.39736%0.359SS..Hα-helixtrans-64.8-40.8174.1-168.2175.723.200112L822 Q823 R828 E829 T830L822-Q826 WeakPolarHBondContact O-CB 3.25Å; L822-Q826 PolarHBondContact O-N 2.94Å; Q823-Q826 PolarHBondContact O-N 3.45Å; Q826-R828 VanDerWaalsContact C-N 3.32Å; Q826-R828 PolarHBondContact O-N 2.95Å; Q826-E829 PolarHBondContact O-N 3.48Å; Q826-T830 PolarHBondContact O-N 3.48Å; Q826-T830 VanDerWaalsContact O-N 3.1Å; Q826-T830 PolarHBondContact O-OG1 2.82Å
827Q90.4Very high86.1Confident126 Ų12670.8 Ų70.859%0.58936%0.36SS*.Hα-helixtrans-63.1-37.3173.2-174-179.41200112.1Q823 L824 T830 Q831Q823-Q827 PolarHBondContact O-N 3.33Å; L824-Q827 PolarHBondContact O-N 3.25Å; Q827-T830 PolarHBondContact O-OG1 3.15Å; Q827-Q831 PolarHBondContact O-N 2.91Å
828R89.4Confident88Confident63 Ų6371.2 Ų71.224%0.23836%0.358CS..Hα-helixtrans-73.6-34.9176.5-169.3175.3173.1-147.30.7112.6L824 L825 Q826 Q831 I832 V891 N1038L824-R828 PolarHBondContact O-N 3.14Å; L825-R828 PolarHBondContact O-N 3.49Å; Q826-R828 VanDerWaalsContact C-N 3.32Å; Q826-R828 PolarHBondContact O-N 2.95Å; R828-Q831 PolarHBondContact O-N 2.91Å; R828-I832 HydrophobicContact CG-CD1 4Å; R828-I832 WeakPolarHBondContact O-CG1 3.38Å; R828-I832 PolarHBondContact O-N 3.04Å; R828-V891 HydrophobicContact CG-CG2 4.15Å; R828-N1038 PolarHBondContact NH1-ND2 3.27Å; R828-N1038 PolarHBondContact NH1-OD1 3.07Å
829E90.9Very high89.2Confident41 Ų4171.1 Ų71.119%0.19236%0.358CS..Hα-helixtrans-61.1-46.4172.7168.7160.4-167.100111.3L825 Q826 Q831 I832 L833 L888 V891 R892L825-E829 WeakPolarHBondContact O-CB 3.4Å; L825-E829 PolarHBondContact O-N 2.89Å; Q826-E829 PolarHBondContact O-N 3.48Å; E829-Q831 PolarHBondContact O-N 3.27Å; E829-I832 PolarHBondContact O-N 3.13Å; E829-L833 HydrophobicContact CG-CD1 3.73Å; E829-L833 HydrophobicContact CG-CG 4.37Å; E829-L833 WeakPolarHBondContact O-CB 3.39Å; E829-L833 VanDerWaalsContact O-CG 3.26Å; E829-L833 WeakPolarHBondContact O-CG 3.45Å; E829-L833 PolarHBondContact O-N 3.36Å; E829-L888 HydrophobicContact CG-CD1 3.87Å; E829-V891 HydrophobicContact CB-CG1 4.04Å; E829-R892 IonicContact OE1-CZ 3.98Å; E829-R892 IonicContact OE1-NE 2.62Å; E829-R892 PolarHBondContact OE1-NE 3.42Å; E829-R892 IonicContact OE1-NH2 3.65Å; E829-R892 PolarHBondContact OE1-NH2 3.36Å; E829-R892 IonicContact OE2-NE 3.12Å
830T89.1Confident90.3Very high73 Ų7368.2 Ų68.245%0.44834%0.344SS..Hα-helixtrans-65.6-37.9178.354.40000112.4Q826 Q827 L833 Q834Q826-T830 PolarHBondContact O-N 3.48Å; Q826-T830 VanDerWaalsContact O-N 3.1Å; Q826-T830 PolarHBondContact O-OG1 2.82Å; Q827-T830 PolarHBondContact O-OG1 3.15Å; T830-L833 PolarHBondContact O-N 3.06Å; T830-Q834 WeakPolarHBondContact O-CB 3.29Å; T830-Q834 PolarHBondContact O-N 3.43Å
831Q93Very high91.3Very high122 Ų12268.4 Ų68.457%0.5735%0.352SS*.Hα-helixtrans-59.7-50.3173.4-172.1-178.416.500111.9Q827 R828 E829 L833 Q834 T835Q827-Q831 PolarHBondContact O-N 2.91Å; R828-Q831 PolarHBondContact O-N 2.91Å; E829-Q831 PolarHBondContact O-N 3.27Å; Q831-L833 VanDerWaalsContact C-N 3.34Å; Q831-L833 PolarHBondContact O-N 3.17Å; Q831-Q834 WeakPolarHBondContact O-CB 3.49Å; Q831-Q834 PolarHBondContact O-N 3.01Å; Q831-T835 PolarHBondContact O-N 3.48Å; Q831-T835 VanDerWaalsContact O-N 3.07Å; Q831-T835 PolarHBondContact O-OG1 3.38Å
832I93.1Very high91.9Very high7 Ų770.6 Ų70.64%0.03636%0.356CS..Hα-helixtrans-63-41.4179.5-67.7165000110.9R828 E829 Q834 T835 I836 Q884 Q887 L888 V891R828-I832 HydrophobicContact CG-CD1 4Å; R828-I832 WeakPolarHBondContact O-CG1 3.38Å; R828-I832 PolarHBondContact O-N 3.04Å; E829-I832 PolarHBondContact O-N 3.13Å; I832-Q834 VanDerWaalsContact C-N 3.34Å; I832-Q834 PolarHBondContact O-N 2.89Å; I832-T835 PolarHBondContact O-N 3.29Å; I832-I836 HydrophobicContact CG2-CD1 3.77Å; I832-I836 HydrophobicContact CG2-CG1 4.35Å; I832-I836 VanDerWaalsContact O-CG1 3.29Å; I832-I836 WeakPolarHBondContact O-CG1 3.22Å; I832-I836 PolarHBondContact O-N 2.95Å; I832-Q884 HydrophobicContact CG2-CB 4.42Å; I832-Q884 WeakPolarHBondContact CG2-O 3.46Å; I832-Q887 HydrophobicContact CD1-CB 4.02Å; I832-L888 HydrophobicContact CG2-CB 3.82Å; I832-L888 HydrophobicContact CG2-CD1 4.35Å; I832-V891 HydrophobicContact CD1-CG2 3.81Å
833L94.8Very high92.4Very high61 Ų6171.2 Ų71.232%0.31936%0.358SS..Hα-helixtrans-61.2-41.1175.8-73.7168.3000112.1E829 T830 Q831 I836 V837 L888E829-L833 HydrophobicContact CG-CD1 3.73Å; E829-L833 HydrophobicContact CG-CG 4.37Å; E829-L833 WeakPolarHBondContact O-CB 3.39Å; E829-L833 VanDerWaalsContact O-CG 3.26Å; E829-L833 WeakPolarHBondContact O-CG 3.45Å; E829-L833 PolarHBondContact O-N 3.36Å; T830-L833 PolarHBondContact O-N 3.06Å; Q831-L833 VanDerWaalsContact C-N 3.34Å; Q831-L833 PolarHBondContact O-N 3.17Å; L833-I836 PolarHBondContact O-N 2.85Å; L833-V837 WeakPolarHBondContact O-CG2 3.45Å; L833-V837 PolarHBondContact O-N 3.24Å; L833-L888 HydrophobicContact CD2-CD1 4.29Å; L833-L888 HydrophobicContact CD2-CD2 3.71Å; L833-L888 HydrophobicContact CG-CD1 4.16Å; L833-L888 HydrophobicContact CG-CD2 4.44Å
834Q93.5Very high92.7Very high123 Ų12372.7 Ų72.758%0.57537%0.365SS*.Hα-helixtrans-62-44.6175.6-172.8177.4600111.7T830 Q831 I832 V837 Q838T830-Q834 WeakPolarHBondContact O-CB 3.29Å; T830-Q834 PolarHBondContact O-N 3.43Å; Q831-Q834 WeakPolarHBondContact O-CB 3.49Å; Q831-Q834 PolarHBondContact O-N 3.01Å; I832-Q834 VanDerWaalsContact C-N 3.34Å; I832-Q834 PolarHBondContact O-N 2.89Å; Q834-V837 PolarHBondContact O-N 2.97Å; Q834-Q838 WeakPolarHBondContact O-CG 3.38Å; Q834-Q838 PolarHBondContact O-N 3.23Å; Q834-Q838 VanDerWaalsContact O-N 3.08Å
835T93.1Very high93Very high42 Ų4271.4 Ų71.426%0.25836%0.358SS..Hα-helixtrans-62.9-42.4175.5-54.90000112Q831 I832 V837 Q838 L839 Q884Q831-T835 PolarHBondContact O-N 3.48Å; Q831-T835 VanDerWaalsContact O-N 3.07Å; Q831-T835 PolarHBondContact O-OG1 3.38Å; I832-T835 PolarHBondContact O-N 3.29Å; T835-V837 VanDerWaalsContact C-N 3.33Å; T835-V837 PolarHBondContact O-N 3.42Å; T835-Q838 PolarHBondContact O-N 3.41Å; T835-L839 HydrophobicContact CG2-CD1 3.98Å; T835-L839 HydrophobicContact CG2-CG 4.39Å; T835-L839 WeakPolarHBondContact O-CB 3.3Å; T835-L839 WeakPolarHBondContact O-CG 3.4Å; T835-L839 PolarHBondContact O-N 3.44Å; T835-Q884 HydrophobicContact CG2-CG 4.12Å
836I95.1Very high93.2Very high17 Ų1770.8 Ų70.89%0.08736%0.355CS..Hα-helixtrans-60.2-41.9176.4-71.4168.7000111.2I832 L833 L839 H840 Q884 Q885 L888I832-I836 HydrophobicContact CG2-CD1 3.77Å; I832-I836 HydrophobicContact CG2-CG1 4.35Å; I832-I836 VanDerWaalsContact O-CG1 3.29Å; I832-I836 WeakPolarHBondContact O-CG1 3.22Å; I832-I836 PolarHBondContact O-N 2.95Å; L833-I836 PolarHBondContact O-N 2.85Å; I836-L839 PolarHBondContact O-N 2.84Å; I836-H840 WeakPolarHBondContact O-CB 3.47Å; I836-H840 PolarHBondContact O-CD2 3.45Å; I836-H840 PolarHBondContact O-N 3.5Å; I836-Q884 HydrophobicContact CD1-CB 4.07Å; I836-Q884 HydrophobicContact CG1-CB 3.56Å; I836-Q885 HydrophobicContact CD1-CG 4.24Å; I836-L888 HydrophobicContact CD1-CB 4.38Å; I836-L888 HydrophobicContact CD1-CD2 3.98Å
837V94.6Very high93.3Very high103 Ų10370 Ų7062%0.62435%0.354SS*.Hα-helixtrans-65.1-43.9177.5170.10000111.7L833 Q834 T835 H840 S841L833-V837 WeakPolarHBondContact O-CG2 3.45Å; L833-V837 PolarHBondContact O-N 3.24Å; Q834-V837 PolarHBondContact O-N 2.97Å; T835-V837 VanDerWaalsContact C-N 3.33Å; T835-V837 PolarHBondContact O-N 3.42Å; V837-H840 PolarHBondContact O-N 2.96Å; V837-S841 PolarHBondContact O-N 3.47Å
838Q94Very high93.3Very high118 Ų11869 Ų6955%0.55135%0.349SS*.Hα-helixtrans-61.1-45.6176-72.2172.6-20.700111.9Q834 T835 S841 K842Q834-Q838 WeakPolarHBondContact O-CG 3.38Å; Q834-Q838 PolarHBondContact O-N 3.23Å; Q834-Q838 VanDerWaalsContact O-N 3.08Å; T835-Q838 PolarHBondContact O-N 3.41Å; Q838-S841 WeakPolarHBondContact O-CB 3.33Å; Q838-S841 PolarHBondContact O-N 3.3Å; Q838-K842 PolarHBondContact O-N 2.92Å; Q838-K842 VanDerWaalsContact O-N 3.07Å
839L96.4Very high93.3Very high23 Ų2370.6 Ų70.612%0.1236%0.357CS..Hα-helixtrans-66-39.9177.7-68.4170.9000112.3T835 I836 S841 K842 H843 V877 Q880 I881 Q884T835-L839 HydrophobicContact CG2-CD1 3.98Å; T835-L839 HydrophobicContact CG2-CG 4.39Å; T835-L839 WeakPolarHBondContact O-CB 3.3Å; T835-L839 WeakPolarHBondContact O-CG 3.4Å; T835-L839 PolarHBondContact O-N 3.44Å; I836-L839 PolarHBondContact O-N 2.84Å; L839-S841 VanDerWaalsContact C-N 3.34Å; L839-S841 PolarHBondContact O-N 3.02Å; L839-K842 PolarHBondContact O-N 2.95Å; L839-H843 WeakPolarHBondContact O-CB 3.24Å; L839-H843 PolarHBondContact O-N 3.21Å; L839-V877 HydrophobicContact CB-CG1 4.3Å; L839-V877 HydrophobicContact CD2-CG1 4.22Å; L839-V877 WeakPolarHBondContact O-CG1 3.45Å; L839-Q880 HydrophobicContact CD1-CB 3.87Å; L839-Q880 HydrophobicContact CD2-CB 4.17Å; L839-I881 HydrophobicContact CB-CD1 4.2Å; L839-I881 HydrophobicContact CB-CG1 3.57Å; L839-I881 HydrophobicContact CD1-CG1 4.36Å; L839-Q884 HydrophobicContact CD1-CG 4.08Å
840H96Very high93.2Very high76 Ų7668.9 Ų68.935%0.35235%0.35SS..Hα-helixtrans-61.7-40.1174.1-98.2-73.1000112.5I836 V837 H843 Q844I836-H840 WeakPolarHBondContact O-CB 3.47Å; I836-H840 PolarHBondContact O-CD2 3.45Å; I836-H840 PolarHBondContact O-N 3.5Å; V837-H840 PolarHBondContact O-N 2.96Å; H840-H843 PolarHBondContact O-N 3.44Å; H840-Q844 WeakPolarHBondContact O-CG 3.11Å; H840-Q844 PolarHBondContact O-N 3.35Å
841S95Very high93.1Very high79 Ų7968.3 Ų68.355%0.55235%0.349SS*.Hα-helixtrans-60.5-49.4174.4-173.50000111.3V837 Q838 L839 H843 Q844 D845V837-S841 PolarHBondContact O-N 3.47Å; Q838-S841 WeakPolarHBondContact O-CB 3.33Å; Q838-S841 PolarHBondContact O-N 3.3Å; L839-S841 VanDerWaalsContact C-N 3.34Å; L839-S841 PolarHBondContact O-N 3.02Å; S841-H843 VanDerWaalsContact C-N 3.32Å; S841-H843 PolarHBondContact O-N 2.97Å; S841-Q844 PolarHBondContact O-N 3.02Å; S841-Q844 VanDerWaalsContact O-N 3.15Å; S841-D845 PolarHBondContact O-N 2.86Å
842K94.3Very high92.7Very high88 Ų8868.1 Ų68.138%0.38335%0.347SS..Hα-helixtrans-59.5-39.6175.1-172.6177.1179.6178.70112.4Q838 L839 L846 V877Q838-K842 PolarHBondContact O-N 2.92Å; Q838-K842 VanDerWaalsContact O-N 3.07Å; L839-K842 PolarHBondContact O-N 2.95Å; K842-L846 HydrophobicContact CG-CD1 4.19Å; K842-L846 WeakPolarHBondContact O-CB 3.36Å; K842-L846 VanDerWaalsContact O-CG 3.31Å; K842-L846 WeakPolarHBondContact O-CG 3.41Å; K842-L846 PolarHBondContact O-N 2.94Å; K842-V877 HydrophobicContact CB-CG1 4.36Å; K842-V877 HydrophobicContact CD-CG2 3.81Å; K842-V877 HydrophobicContact CG-CG1 4.47Å; K842-V877 HydrophobicContact CG-CG2 4.13Å
843H95.1Very high92.1Very high54 Ų5469.6 Ų69.625%0.2536%0.355CS..Hα-helixtrans-67.3-37.4176.7-168.679.1000112L839 H840 S841 N847 A874 V877 I881L839-H843 WeakPolarHBondContact O-CB 3.24Å; L839-H843 PolarHBondContact O-N 3.21Å; H840-H843 PolarHBondContact O-N 3.44Å; S841-H843 VanDerWaalsContact C-N 3.32Å; S841-H843 PolarHBondContact O-N 2.97Å; H843-N847 PolarHBondContact CD2-ND2 3.5Å; H843-N847 PolarHBondContact NE2-ND2 2.92Å; H843-N847 WeakPolarHBondContact O-CB 3.38Å; H843-N847 PolarHBondContact O-N 3Å; H843-N847 VanDerWaalsContact O-N 3.07Å; H843-N847 PolarHBondContact O-ND2 2.84Å; H843-A874 PolarHBondContact CE1-O 3.02Å; H843-A874 VanDerWaalsContact CE1-O 3.28Å; H843-A874 PolarHBondContact ND1-O 3.4Å; H843-A874 VanDerWaalsContact ND1-O 3.08Å; H843-V877 HydrophobicContact CB-CG1 3.87Å; H843-I881 HydrophobicContact CB-CD1 3.98Å
844Q93.8Very high91.4Very high117 Ų11772.6 Ų72.655%0.54736%0.362SS..Hα-helixtrans-68-43.6174.5-73.9-174.36.500112.2H840 S841 N847 Q848H840-Q844 WeakPolarHBondContact O-CG 3.11Å; H840-Q844 PolarHBondContact O-N 3.35Å; S841-Q844 PolarHBondContact O-N 3.02Å; S841-Q844 VanDerWaalsContact O-N 3.15Å; Q844-N847 PolarHBondContact O-N 3.01Å; Q844-Q848 WeakPolarHBondContact O-CG 3.48Å; Q844-Q848 PolarHBondContact O-N 3.47Å
845D93.2Very high90.6Very high64 Ų6471.5 Ų71.534%0.34237%0.368SS..Hα-helixtrans-58.5-47.1174.8166.269.6000112.1S841 N847 Q848 K849S841-D845 PolarHBondContact O-N 2.86Å; D845-N847 PolarHBondContact O-N 3.41Å; D845-Q848 PolarHBondContact O-N 3.29Å; D845-K849 WeakPolarHBondContact O-CG 3.37Å; D845-K849 PolarHBondContact O-N 3.33Å; D845-K849 WeakPolarHBondContact OD1-CE 3.48Å; D845-K849 IonicContact OD1-NZ 3.45Å; D845-K849 PolarHBondContact OD1-NZ 2.92Å; D845-K849 WeakPolarHBondContact OD2-CE 3.37Å; D845-K849 IonicContact OD2-NZ 2.71Å; D845-K849 PolarHBondContact OD2-NZ 3.49Å
846L93.4Very high89.4Confident5 Ų573.6 Ų73.63%0.02639%0.39CS..Hα-helixtrans-62.7-39.9176.6-71.1169.2000112.4K842 K849 L850 L870 Q873 A874 V877K842-L846 HydrophobicContact CG-CD1 4.19Å; K842-L846 WeakPolarHBondContact O-CB 3.36Å; K842-L846 VanDerWaalsContact O-CG 3.31Å; K842-L846 WeakPolarHBondContact O-CG 3.41Å; K842-L846 PolarHBondContact O-N 2.94Å; L846-K849 PolarHBondContact O-N 3.43Å; L846-L850 WeakPolarHBondContact O-CG 3.49Å; L846-L850 PolarHBondContact O-N 3.19Å; L846-L870 HydrophobicContact CD2-CD2 3.69Å; L846-Q873 HydrophobicContact CD1-CB 4.03Å; L846-Q873 HydrophobicContact CD2-CB 4.21Å; L846-A874 HydrophobicContact CB-CB 4.12Å; L846-V877 HydrophobicContact CD1-CG2 3.98Å
847N90.9Very high87.7Confident69 Ų6975 Ų7537%0.36940%0.399SS..Hα-helixtrans-68.1-34.9174.3-82.1-70.8000112.8H843 Q844 D845 L850 S851H843-N847 PolarHBondContact CD2-ND2 3.5Å; H843-N847 PolarHBondContact NE2-ND2 2.92Å; H843-N847 WeakPolarHBondContact O-CB 3.38Å; H843-N847 PolarHBondContact O-N 3Å; H843-N847 VanDerWaalsContact O-N 3.07Å; H843-N847 PolarHBondContact O-ND2 2.84Å; Q844-N847 PolarHBondContact O-N 3.01Å; D845-N847 PolarHBondContact O-N 3.41Å; N847-L850 PolarHBondContact O-N 2.82Å; N847-S851 PolarHBondContact O-N 3.26Å
848Q91.4Very high86.1Confident105 Ų10578.5 Ų78.549%0.49142%0.415SS..Hα-helixtrans-66.1-43.4171.9-74.1-178.751.900111.2Q844 D845 L850 S851 H852Q844-Q848 WeakPolarHBondContact O-CG 3.48Å; Q844-Q848 PolarHBondContact O-N 3.47Å; D845-Q848 PolarHBondContact O-N 3.29Å; Q848-L850 VanDerWaalsContact C-N 3.29Å; Q848-L850 PolarHBondContact O-N 3.44Å; Q848-S851 PolarHBondContact O-N 2.65Å; Q848-S851 VanDerWaalsContact O-N 3.17Å; Q848-S851 PolarHBondContact O-OG 3.38Å; Q848-H852 PolarHBondContact O-N 2.94Å; Q848-H852 PolarHBondContact O-ND1 3.47Å
849K89.7Confident84.3Confident95 Ų9576.5 Ų76.541%0.41341%0.41SS..Hα-helixtrans-60-40.9174.3-74.1164.2176.71630111.4D845 L846 I853 L870D845-K849 WeakPolarHBondContact O-CG 3.37Å; D845-K849 PolarHBondContact O-N 3.33Å; D845-K849 WeakPolarHBondContact OD1-CE 3.48Å; D845-K849 IonicContact OD1-NZ 3.45Å; D845-K849 PolarHBondContact OD1-NZ 2.92Å; D845-K849 WeakPolarHBondContact OD2-CE 3.37Å; D845-K849 IonicContact OD2-NZ 2.71Å; D845-K849 PolarHBondContact OD2-NZ 3.49Å; L846-K849 PolarHBondContact O-N 3.43Å; K849-I853 VanDerWaalsContact O-CG1 3.29Å; K849-I853 WeakPolarHBondContact O-CG1 3.36Å; K849-I853 PolarHBondContact O-N 3.29Å; K849-L870 HydrophobicContact CB-CD1 4.22Å
850L88.4Confident82.4Confident6 Ų679.9 Ų79.93%0.03143%0.434CS..Hα-helixtrans-64.4-39.2173.2-74.7171.1000113.5L846 N847 Q848 R854 L870 Q871 A874L846-L850 WeakPolarHBondContact O-CG 3.49Å; L846-L850 PolarHBondContact O-N 3.19Å; N847-L850 PolarHBondContact O-N 2.82Å; Q848-L850 VanDerWaalsContact C-N 3.29Å; Q848-L850 PolarHBondContact O-N 3.44Å; L850-R854 WeakPolarHBondContact O-CB 3.34Å; L850-R854 WeakPolarHBondContact O-CD 3.36Å; L850-R854 WeakPolarHBondContact O-CG 3.5Å; L850-R854 PolarHBondContact O-N 2.93Å; L850-R854 VanDerWaalsContact O-N 3.09Å; L850-L870 HydrophobicContact CD2-CB 3.57Å; L850-L870 HydrophobicContact CG-CB 3.94Å; L850-Q871 HydrophobicContact CD1-CG 3.8Å; L850-Q871 HydrophobicContact CD2-CG 3.8Å; L850-Q871 HydrophobicContact CG-CG 4.48Å; L850-A874 HydrophobicContact CD1-CB 4.2Å
851S85.6Confident80.4Confident61 Ų6182.5 Ų82.543%0.42744%0.444SS..Hα-helixtrans-70.4-42177.469.60000112.2N847 Q848 R854 S855N847-S851 PolarHBondContact O-N 3.26Å; Q848-S851 PolarHBondContact O-N 2.65Å; Q848-S851 VanDerWaalsContact O-N 3.17Å; Q848-S851 PolarHBondContact O-OG 3.38Å; S851-R854 PolarHBondContact O-N 3.5Å; S851-S855 PolarHBondContact O-N 2.9Å; S851-S855 PolarHBondContact O-OG 2.74Å
852H85.7Confident78.4Confident117 Ų11783.3 Ų83.354%0.54246%0.456SS..Hα-helixtrans-62.3-42.3176.2-75.186.5000112.3Q848 S855 A856Q848-H852 PolarHBondContact O-N 2.94Å; Q848-H852 PolarHBondContact O-ND1 3.47Å; H852-S855 PolarHBondContact O-N 2.94Å; H852-S855 PolarHBondContact O-OG 3.38Å; H852-S855 VanDerWaalsContact O-OG 3.08Å; H852-A856 WeakPolarHBondContact O-CB 3.1Å; H852-A856 PolarHBondContact O-N 3.11Å
853I81.1Confident76.7Confident39 Ų3983.8 Ų83.820%0.247%0.466CS..Hα-helixtrans-69.3-37.4177.1-63.4165.3000110.5K849 S855 T857 V866 I867 L870K849-I853 VanDerWaalsContact O-CG1 3.29Å; K849-I853 WeakPolarHBondContact O-CG1 3.36Å; K849-I853 PolarHBondContact O-N 3.29Å; I853-S855 VanDerWaalsContact C-N 3.33Å; I853-S855 PolarHBondContact O-N 3.24Å; I853-T857 WeakPolarHBondContact O-CB 3.39Å; I853-T857 PolarHBondContact O-N 2.8Å; I853-T857 PolarHBondContact O-OG1 3.41Å; I853-V866 HydrophobicContact CD1-CG1 4.34Å; I853-I867 HydrophobicContact CB-CG1 4.49Å; I853-I867 HydrophobicContact CG2-CD1 3.65Å; I853-I867 HydrophobicContact CG2-CG1 3.51Å; I853-L870 HydrophobicContact CD1-CD1 3.41Å; I853-L870 VanDerWaalsContact CD1-CD1 3.41Å
854R78.8Confident75.4Confident123 Ų12383 Ų8346%0.46446%0.464SS..Hα-helixtrans-66.2-28.8175.2-74.5169.7-176.7178.13113.6L850 S851L850-R854 WeakPolarHBondContact O-CB 3.34Å; L850-R854 WeakPolarHBondContact O-CD 3.36Å; L850-R854 WeakPolarHBondContact O-CG 3.5Å; L850-R854 PolarHBondContact O-N 2.93Å; L850-R854 VanDerWaalsContact O-N 3.09Å; S851-R854 PolarHBondContact O-N 3.5Å
855S77.1Confident74.6Confident100 Ų10082.1 Ų82.170%0.69947%0.468SS*.Hα-helixtrans-88.1-34.6176.260.80000113.4S851 H852 I853S851-S855 PolarHBondContact O-N 2.9Å; S851-S855 PolarHBondContact O-OG 2.74Å; H852-S855 PolarHBondContact O-N 2.94Å; H852-S855 PolarHBondContact O-OG 3.38Å; H852-S855 VanDerWaalsContact O-OG 3.08Å; I853-S855 VanDerWaalsContact C-N 3.33Å; I853-S855 PolarHBondContact O-N 3.24Å
856A67.8Low74Confident86 Ų8682.4 Ų82.471%0.71147%0.472SS*.Hα-helixtrans-77.9-23.8178.300000113.8H852H852-A856 WeakPolarHBondContact O-CB 3.1Å; H852-A856 PolarHBondContact O-N 3.11Å
857T59.9Low73.5Confident48 Ų4882.6 Ų82.629%0.29447%0.473SS..  trans-117.4101.1-167.7-31.70000112I853 V859I853-T857 WeakPolarHBondContact O-CB 3.39Å; I853-T857 PolarHBondContact O-N 2.8Å; I853-T857 PolarHBondContact O-OG1 3.41Å; T857-V859 HydrophobicContact CG2-CB 3.81Å; T857-V859 HydrophobicContact CG2-CG2 3.73Å; T857-V859 PolarHBondContact O-N 3.09Å
858N60.2Low73.2Confident176 Ų17685.9 Ų85.994%0.94149%0.486SS*.  trans-77.634.6178.3-142.7-3.6000112.9
859V57.4Low73Confident76 Ų7685.9 Ų85.946%0.46149%0.486SS..SBendtrans-110.3137.8-171.5172.60000109.2T857T857-V859 HydrophobicContact CG2-CB 3.81Å; T857-V859 HydrophobicContact CG2-CG2 3.73Å; T857-V859 PolarHBondContact O-N 3.09Å
860P55.5Low73Confident94 Ų9482.2 Ų82.261%0.6147%0.471SS*.  trans-58.3142.2-176.622.1-34.5000113.5A862 T863P860-A862 PolarHBondContact O-N 2.88Å; P860-T863 PolarHBondContact O-N 3.38Å; P860-T863 PolarHBondContact O-OG1 3.35Å
861F55.1Low73Confident130 Ų13085.2 Ų85.257%0.5749%0.485SS*.THydrogen-bonded Turntrans-51.7-16.3-175.9-121.8-101.5000116.2
862A52.9Low73.3Confident97 Ų9786.4 Ų86.480%0.80249%0.486SS*.THydrogen-bonded Turntrans-90.4-10.6-17000000115.1P860P860-A862 PolarHBondContact O-N 2.88Å
863T57.9Low73.7Confident98 Ų9882.9 Ų82.960%0.60147%0.47SS*.SBendtrans-124.34.5-167.459.20000115.6P860P860-T863 PolarHBondContact O-N 3.38Å; P860-T863 PolarHBondContact O-OG1 3.35Å
864N68.3Low74.1Confident36 Ų3681.4 Ų81.419%0.19346%0.463CS..  trans-108.5106.1178.5-172.3-23.7000110.9V866 I867 H868N864-V866 VanDerWaalsContact C-N 3.28Å; N864-V866 PolarHBondContact O-N 3.13Å; N864-V866 WeakPolarHBondContact OD1-CB 3.39Å; N864-V866 PolarHBondContact OD1-N 3.32Å; N864-I867 HydrophobicContact CB-CB 4.24Å; N864-I867 HydrophobicContact CB-CD1 3.8Å; N864-I867 HydrophobicContact CB-CG1 3.97Å; N864-I867 PolarHBondContact O-N 3.09Å; N864-H868 PolarHBondContact O-N 3.48Å
865P77.3Confident74.8Confident99 Ų9981.7 Ų81.764%0.64347%0.468SS*.Hα-helixtrans-64.7-30.6-177.526.1-33.9000112.8I867 H868 E869P865-I867 VanDerWaalsContact C-N 3.31Å; P865-I867 PolarHBondContact O-N 3.47Å; P865-H868 WeakPolarHBondContact O-CB 3.46Å; P865-H868 PolarHBondContact O-N 2.91Å; P865-H868 VanDerWaalsContact O-N 3.14Å; P865-E869 PolarHBondContact O-N 3.42Å
866V79.7Confident75.5Confident70 Ų7081.3 Ų81.342%0.42446%0.455SS..Hα-helixtrans-66.2-34.9179.3-172.10000111.2I853 N864 H868 L870I853-V866 HydrophobicContact CD1-CG1 4.34Å; N864-V866 VanDerWaalsContact C-N 3.28Å; N864-V866 PolarHBondContact O-N 3.13Å; N864-V866 WeakPolarHBondContact OD1-CB 3.39Å; N864-V866 PolarHBondContact OD1-N 3.32Å; V866-H868 VanDerWaalsContact C-N 3.32Å; V866-H868 PolarHBondContact O-N 2.92Å; V866-L870 HydrophobicContact CG1-CD1 3.97Å; V866-L870 HydrophobicContact CG1-CG 4.39Å; V866-L870 WeakPolarHBondContact O-CB 3.49Å; V866-L870 WeakPolarHBondContact O-CG 3.39Å; V866-L870 PolarHBondContact O-N 3.17Å
867I83.4Confident76.8Confident10 Ų1077.4 Ų77.45%0.05142%0.422CS..Hα-helixtrans-67.5-34.1175.1-67179.2000111.4I853 N864 P865 Q871I853-I867 HydrophobicContact CB-CG1 4.49Å; I853-I867 HydrophobicContact CG2-CD1 3.65Å; I853-I867 HydrophobicContact CG2-CG1 3.51Å; N864-I867 HydrophobicContact CB-CB 4.24Å; N864-I867 HydrophobicContact CB-CD1 3.8Å; N864-I867 HydrophobicContact CB-CG1 3.97Å; N864-I867 PolarHBondContact O-N 3.09Å; P865-I867 VanDerWaalsContact C-N 3.31Å; P865-I867 PolarHBondContact O-N 3.47Å; I867-Q871 WeakPolarHBondContact O-CB 3.32Å; I867-Q871 WeakPolarHBondContact O-CG 3.2Å; I867-Q871 PolarHBondContact O-N 3.18Å; I867-Q871 PolarHBondContact O-NE2 2.98Å; I867-Q871 VanDerWaalsContact O-NE2 3.08Å
868H84.5Confident78.4Confident137 Ų13775.9 Ų75.963%0.63442%0.416SS*.Hα-helixtrans-73.7-45.1176-179.9-91.2000111.2N864 P865 V866 Q871 L872N864-H868 PolarHBondContact O-N 3.48Å; P865-H868 WeakPolarHBondContact O-CB 3.46Å; P865-H868 PolarHBondContact O-N 2.91Å; P865-H868 VanDerWaalsContact O-N 3.14Å; V866-H868 VanDerWaalsContact C-N 3.32Å; V866-H868 PolarHBondContact O-N 2.92Å; H868-Q871 PolarHBondContact O-N 3.06Å; H868-L872 PolarHBondContact O-N 3.47Å
869E87.5Confident80Confident105 Ų10572.8 Ų72.849%0.49140%0.396SS..Hα-helixtrans-61.7-48.1178.1-164.9-166.714900112P865 Q871 L872 Q873P865-E869 PolarHBondContact O-N 3.42Å; E869-Q871 VanDerWaalsContact C-N 3.26Å; E869-Q871 PolarHBondContact O-N 3.17Å; E869-L872 WeakPolarHBondContact O-CB 3.03Å; E869-L872 PolarHBondContact O-N 3.23Å; E869-L872 VanDerWaalsContact O-N 3.08Å; E869-Q873 WeakPolarHBondContact O-CG 3.32Å; E869-Q873 PolarHBondContact O-N 2.9Å; E869-Q873 PolarHBondContact OE1-NE2 3.44Å
870L89.2Confident81.7Confident19 Ų1973.8 Ų73.810%0.09940%0.396CS..Hα-helixtrans-63.4-30.9177.1-73.1170000112.7L846 K849 L850 I853 V866 A874L846-L870 HydrophobicContact CD2-CD2 3.69Å; K849-L870 HydrophobicContact CB-CD1 4.22Å; L850-L870 HydrophobicContact CD2-CB 3.57Å; L850-L870 HydrophobicContact CG-CB 3.94Å; I853-L870 HydrophobicContact CD1-CD1 3.41Å; I853-L870 VanDerWaalsContact CD1-CD1 3.41Å; V866-L870 HydrophobicContact CG1-CD1 3.97Å; V866-L870 HydrophobicContact CG1-CG 4.39Å; V866-L870 WeakPolarHBondContact O-CB 3.49Å; V866-L870 WeakPolarHBondContact O-CG 3.39Å; V866-L870 PolarHBondContact O-N 3.17Å; L870-A874 VanDerWaalsContact O-CB 3.25Å; L870-A874 WeakPolarHBondContact O-CB 3.5Å; L870-A874 PolarHBondContact O-N 2.72Å
871Q88.9Confident83.6Confident69 Ų6969.7 Ų69.732%0.32237%0.368SS..Hα-helixtrans-69.5-40.5171.6-82.1171.666.600112L850 I867 H868 E869 A874 F875L850-Q871 HydrophobicContact CD1-CG 3.8Å; L850-Q871 HydrophobicContact CD2-CG 3.8Å; L850-Q871 HydrophobicContact CG-CG 4.48Å; I867-Q871 WeakPolarHBondContact O-CB 3.32Å; I867-Q871 WeakPolarHBondContact O-CG 3.2Å; I867-Q871 PolarHBondContact O-N 3.18Å; I867-Q871 PolarHBondContact O-NE2 2.98Å; I867-Q871 VanDerWaalsContact O-NE2 3.08Å; H868-Q871 PolarHBondContact O-N 3.06Å; E869-Q871 VanDerWaalsContact C-N 3.26Å; E869-Q871 PolarHBondContact O-N 3.17Å; Q871-A874 PolarHBondContact O-N 3.3Å; Q871-F875 WeakPolarHBondContact O-CB 3.47Å; Q871-F875 PolarHBondContact O-N 3.39Å
872L92.1Very high85.5Confident85 Ų8568.6 Ų68.645%0.44537%0.369SS..Hα-helixtrans-63.4-45.5175.3-173.865000111.3H868 E869 F875 Q876H868-L872 PolarHBondContact O-N 3.47Å; E869-L872 WeakPolarHBondContact O-CB 3.03Å; E869-L872 PolarHBondContact O-N 3.23Å; E869-L872 VanDerWaalsContact O-N 3.08Å; L872-F875 PolarHBondContact O-N 2.89Å; L872-Q876 VanDerWaalsContact O-CG 3.31Å; L872-Q876 WeakPolarHBondContact O-CG 3.3Å; L872-Q876 PolarHBondContact O-N 3.03Å
873Q92.6Very high87.3Confident44 Ų4465.1 Ų65.121%0.20634%0.34CS..Hα-helixtrans-61.9-44.7175.1-66.8-177.320.800111.7L846 E869 F875 Q876 V877L846-Q873 HydrophobicContact CD1-CB 4.03Å; L846-Q873 HydrophobicContact CD2-CB 4.21Å; E869-Q873 WeakPolarHBondContact O-CG 3.32Å; E869-Q873 PolarHBondContact O-N 2.9Å; E869-Q873 PolarHBondContact OE1-NE2 3.44Å; Q873-F875 VanDerWaalsContact C-N 3.31Å; Q873-F875 PolarHBondContact O-N 3.4Å; Q873-Q876 PolarHBondContact O-N 3.41Å; Q873-V877 WeakPolarHBondContact O-CG2 3.37Å; Q873-V877 PolarHBondContact O-N 2.98Å
874A90.9Very high89.1Confident7 Ų762.4 Ų62.46%0.05832%0.321CS..Hα-helixtrans-62.5-38.4178.300000112.3H843 L846 L850 L870 Q871 G878H843-A874 PolarHBondContact CE1-O 3.02Å; H843-A874 VanDerWaalsContact CE1-O 3.28Å; H843-A874 PolarHBondContact ND1-O 3.4Å; H843-A874 VanDerWaalsContact ND1-O 3.08Å; L846-A874 HydrophobicContact CB-CB 4.12Å; L850-A874 HydrophobicContact CD1-CB 4.2Å; L870-A874 VanDerWaalsContact O-CB 3.25Å; L870-A874 WeakPolarHBondContact O-CB 3.5Å; L870-A874 PolarHBondContact O-N 2.72Å; Q871-A874 PolarHBondContact O-N 3.3Å; A874-G878 PolarHBondContact O-N 2.95Å
875F91.8Very high90.3Very high130 Ų13063.9 Ų63.957%0.5733%0.326SS*.Hα-helixtrans-68-44.2176.1-178-105.7000112.3Q871 L872 Q873 V877 G878 Q879Q871-F875 WeakPolarHBondContact O-CB 3.47Å; Q871-F875 PolarHBondContact O-N 3.39Å; L872-F875 PolarHBondContact O-N 2.89Å; Q873-F875 VanDerWaalsContact C-N 3.31Å; Q873-F875 PolarHBondContact O-N 3.4Å; F875-V877 PolarHBondContact O-N 3.46Å; F875-G878 WeakPolarHBondContact O-CA 3.4Å; F875-G878 PolarHBondContact O-N 3.46Å; F875-G878 VanDerWaalsContact O-N 3.15Å; F875-Q879 HydrophobicContact CE1-CG 4.46Å; F875-Q879 VanDerWaalsContact CE1-NE2 3.29Å; F875-Q879 PolarHBondContact O-N 3.43Å
876Q93.4Very high91.1Very high92 Ų9261.6 Ų61.643%0.4332%0.315SS..Hα-helixtrans-59.4-45.4174.7-74.6170.1-14.300112.1L872 Q873 G878 Q879 Q880L872-Q876 VanDerWaalsContact O-CG 3.31Å; L872-Q876 WeakPolarHBondContact O-CG 3.3Å; L872-Q876 PolarHBondContact O-N 3.03Å; Q873-Q876 PolarHBondContact O-N 3.41Å; Q876-G878 VanDerWaalsContact C-N 3.29Å; Q876-G878 PolarHBondContact O-N 3.16Å; Q876-Q879 PolarHBondContact O-N 3.29Å; Q876-Q880 WeakPolarHBondContact O-CG 3.45Å; Q876-Q880 PolarHBondContact O-N 3.28Å
877V94.5Very high91.7Very high4 Ų460.8 Ų60.82%0.02431%0.307CS..Hα-helixtrans-65.1-34.5175.9177.50000111.2L839 K842 H843 L846 Q873 F875 Q880 I881L839-V877 HydrophobicContact CB-CG1 4.3Å; L839-V877 HydrophobicContact CD2-CG1 4.22Å; L839-V877 WeakPolarHBondContact O-CG1 3.45Å; K842-V877 HydrophobicContact CB-CG1 4.36Å; K842-V877 HydrophobicContact CD-CG2 3.81Å; K842-V877 HydrophobicContact CG-CG1 4.47Å; K842-V877 HydrophobicContact CG-CG2 4.13Å; H843-V877 HydrophobicContact CB-CG1 3.87Å; L846-V877 HydrophobicContact CD1-CG2 3.98Å; Q873-V877 WeakPolarHBondContact O-CG2 3.37Å; Q873-V877 PolarHBondContact O-N 2.98Å; F875-V877 PolarHBondContact O-N 3.46Å; V877-Q880 PolarHBondContact O-N 3.29Å; V877-I881 HydrophobicContact CG1-CD1 4.35Å; V877-I881 WeakPolarHBondContact O-CG1 3.38Å; V877-I881 PolarHBondContact O-N 2.72Å
878G94.2Very high92.2Very high16 Ų1661.1 Ų61.117%0.16531%0.309CS..Hα-helixtrans-58.7-49.3171.700000112.7A874 F875 Q876 Q880 I881 D882A874-G878 PolarHBondContact O-N 2.95Å; F875-G878 WeakPolarHBondContact O-CA 3.4Å; F875-G878 PolarHBondContact O-N 3.46Å; F875-G878 VanDerWaalsContact O-N 3.15Å; Q876-G878 VanDerWaalsContact C-N 3.29Å; Q876-G878 PolarHBondContact O-N 3.16Å; G878-Q880 VanDerWaalsContact C-N 3.29Å; G878-Q880 PolarHBondContact O-N 2.93Å; G878-I881 WeakPolarHBondContact O-CB 3.48Å; G878-I881 PolarHBondContact O-N 3.14Å; G878-I881 VanDerWaalsContact O-N 3.1Å; G878-D882 PolarHBondContact O-N 2.7Å
879Q93.5Very high92.7Very high110 Ų11061.3 Ų61.351%0.51431%0.308SS..Hα-helixtrans-61.1-36.5176.2-68.5-173.8-2200112.8F875 Q876 D882 A883F875-Q879 HydrophobicContact CE1-CG 4.46Å; F875-Q879 VanDerWaalsContact CE1-NE2 3.29Å; F875-Q879 PolarHBondContact O-N 3.43Å; Q876-Q879 PolarHBondContact O-N 3.29Å; Q879-D882 PolarHBondContact O-N 3.15Å; Q879-A883 WeakPolarHBondContact O-CB 3.32Å; Q879-A883 PolarHBondContact O-N 2.85Å
880Q93Very high92.8Very high97 Ų9759.1 Ų59.145%0.45330%0.297SS..Hα-helixtrans-65.2-37.5174.4-70.6176.6-1800112.3L839 Q876 V877 G878 Q884L839-Q880 HydrophobicContact CD1-CB 3.87Å; L839-Q880 HydrophobicContact CD2-CB 4.17Å; Q876-Q880 WeakPolarHBondContact O-CG 3.45Å; Q876-Q880 PolarHBondContact O-N 3.28Å; V877-Q880 PolarHBondContact O-N 3.29Å; G878-Q880 VanDerWaalsContact C-N 3.29Å; G878-Q880 PolarHBondContact O-N 2.93Å; Q880-Q884 VanDerWaalsContact O-CG 3.31Å; Q880-Q884 WeakPolarHBondContact O-CG 3.46Å; Q880-Q884 PolarHBondContact O-N 3.44Å; Q880-Q884 VanDerWaalsContact O-N 3.08Å
881I95Very high93Very high8 Ų858.2 Ų58.24%0.04129%0.293CS..Hα-helixtrans-63.6-47.6173.2-67.4165.2000110.4L839 H843 V877 G878 A883 Q884 Q885L839-I881 HydrophobicContact CB-CD1 4.2Å; L839-I881 HydrophobicContact CB-CG1 3.57Å; L839-I881 HydrophobicContact CD1-CG1 4.36Å; H843-I881 HydrophobicContact CB-CD1 3.98Å; V877-I881 HydrophobicContact CG1-CD1 4.35Å; V877-I881 WeakPolarHBondContact O-CG1 3.38Å; V877-I881 PolarHBondContact O-N 2.72Å; G878-I881 WeakPolarHBondContact O-CB 3.48Å; G878-I881 PolarHBondContact O-N 3.14Å; G878-I881 VanDerWaalsContact O-N 3.1Å; I881-A883 VanDerWaalsContact C-N 3.34Å; I881-A883 PolarHBondContact O-N 3.48Å; I881-Q884 PolarHBondContact O-N 3.41Å; I881-Q885 HydrophobicContact CG2-CG 4.32Å; I881-Q885 WeakPolarHBondContact O-CG 3.24Å; I881-Q885 PolarHBondContact O-N 3.16Å
882D94.2Very high93.2Very high108 Ų10860.7 Ų60.758%0.57830%0.299SS*.Hα-helixtrans-60.5-42.2179.7-72.8-29.9000112.1G878 Q879 Q885 A886G878-D882 PolarHBondContact O-N 2.7Å; Q879-D882 PolarHBondContact O-N 3.15Å; D882-Q885 PolarHBondContact O-N 3.37Å; D882-A886 PolarHBondContact O-N 3.27Å
883A92.4Very high93.1Very high24 Ų2459.6 Ų59.620%0.19830%0.299CS..Hα-helixtrans-62.4-45.8175.800000112.1Q879 I881 A886 Q887Q879-A883 WeakPolarHBondContact O-CB 3.32Å; Q879-A883 PolarHBondContact O-N 2.85Å; I881-A883 VanDerWaalsContact C-N 3.34Å; I881-A883 PolarHBondContact O-N 3.48Å; A883-A886 WeakPolarHBondContact O-CB 3.48Å; A883-A886 PolarHBondContact O-N 2.83Å; A883-Q887 PolarHBondContact O-N 3.35Å
884Q95.7Very high92.8Very high41 Ų4158.7 Ų58.719%0.19230%0.295CS..Hα-helixtrans-66.4-37.3176.7-69.5-65.5-30.900112.2I832 T835 I836 L839 Q880 I881 A886 Q887 L888I832-Q884 HydrophobicContact CG2-CB 4.42Å; I832-Q884 WeakPolarHBondContact CG2-O 3.46Å; T835-Q884 HydrophobicContact CG2-CG 4.12Å; I836-Q884 HydrophobicContact CD1-CB 4.07Å; I836-Q884 HydrophobicContact CG1-CB 3.56Å; L839-Q884 HydrophobicContact CD1-CG 4.08Å; Q880-Q884 VanDerWaalsContact O-CG 3.31Å; Q880-Q884 WeakPolarHBondContact O-CG 3.46Å; Q880-Q884 PolarHBondContact O-N 3.44Å; Q880-Q884 VanDerWaalsContact O-N 3.08Å; I881-Q884 PolarHBondContact O-N 3.41Å; Q884-A886 VanDerWaalsContact C-N 3.3Å; Q884-A886 PolarHBondContact O-N 3.11Å; Q884-Q887 PolarHBondContact O-N 3.42Å; Q884-L888 WeakPolarHBondContact O-CB 3.47Å; Q884-L888 PolarHBondContact O-N 2.86Å
885Q93.6Very high92.5Very high67 Ų6758.9 Ų58.931%0.31330%0.296SS..Hα-helixtrans-63.7-33.5172.2-73.3-172.729.900112.7I836 I881 D882 K889I836-Q885 HydrophobicContact CD1-CG 4.24Å; I881-Q885 HydrophobicContact CG2-CG 4.32Å; I881-Q885 WeakPolarHBondContact O-CG 3.24Å; I881-Q885 PolarHBondContact O-N 3.16Å; D882-Q885 PolarHBondContact O-N 3.37Å; Q885-K889 WeakPolarHBondContact O-CD 3.39Å; Q885-K889 VanDerWaalsContact O-CG 3.31Å; Q885-K889 WeakPolarHBondContact O-CG 3.49Å; Q885-K889 PolarHBondContact O-N 3.1Å; Q885-K889 VanDerWaalsContact O-N 3.15Å
886A92.8Very high92.1Very high50 Ų5054.4 Ų54.441%0.41329%0.287SS..Hα-helixtrans-67.5-43.8172.900000111.7D882 A883 Q884 L888 K889 H890D882-A886 PolarHBondContact O-N 3.27Å; A883-A886 WeakPolarHBondContact O-CB 3.48Å; A883-A886 PolarHBondContact O-N 2.83Å; Q884-A886 VanDerWaalsContact C-N 3.3Å; Q884-A886 PolarHBondContact O-N 3.11Å; A886-L888 PolarHBondContact O-N 3.25Å; A886-K889 PolarHBondContact O-N 2.75Å; A886-H890 PolarHBondContact O-N 2.87Å; A886-H890 VanDerWaalsContact O-N 3.14Å
887Q92.4Very high91.5Very high54 Ų5454.8 Ų54.825%0.25229%0.289SS..Hα-helixtrans-61.9-41174.3-65-167.521.600112.2I832 A883 Q884 K889 H890 V891I832-Q887 HydrophobicContact CD1-CB 4.02Å; A883-Q887 PolarHBondContact O-N 3.35Å; Q884-Q887 PolarHBondContact O-N 3.42Å; Q887-K889 PolarHBondContact O-N 3.03Å; Q887-H890 WeakPolarHBondContact O-CB 3.28Å; Q887-H890 PolarHBondContact O-N 3.46Å; Q887-H890 VanDerWaalsContact O-N 3.16Å; Q887-V891 PolarHBondContact O-N 3.39Å
888L95.3Very high90.9Very high16 Ų1656.1 Ų56.18%0.08430%0.296CS..Hα-helixtrans-59.8-42.5175.8-176.861.3000112.3E829 I832 L833 I836 Q884 A886 H890 V891 R892E829-L888 HydrophobicContact CG-CD1 3.87Å; I832-L888 HydrophobicContact CG2-CB 3.82Å; I832-L888 HydrophobicContact CG2-CD1 4.35Å; L833-L888 HydrophobicContact CD2-CD1 4.29Å; L833-L888 HydrophobicContact CD2-CD2 3.71Å; L833-L888 HydrophobicContact CG-CD1 4.16Å; L833-L888 HydrophobicContact CG-CD2 4.44Å; I836-L888 HydrophobicContact CD1-CB 4.38Å; I836-L888 HydrophobicContact CD1-CD2 3.98Å; Q884-L888 WeakPolarHBondContact O-CB 3.47Å; Q884-L888 PolarHBondContact O-N 2.86Å; A886-L888 PolarHBondContact O-N 3.25Å; L888-H890 VanDerWaalsContact C-N 3.32Å; L888-H890 PolarHBondContact O-N 3.3Å; L888-V891 PolarHBondContact O-N 2.9Å; L888-R892 HydrophobicContact CD1-CG 4.4Å; L888-R892 WeakPolarHBondContact O-CB 3.47Å; L888-R892 WeakPolarHBondContact O-CG 3.1Å; L888-R892 PolarHBondContact O-N 3.48Å
889K94.6Very high90.3Very high142 Ų14262.2 Ų62.262%0.61731%0.314SS*.Hα-helixtrans-61.4-40175.3-72.1163.5-173.8166.40111.4Q885 A886 Q887 S893Q885-K889 WeakPolarHBondContact O-CD 3.39Å; Q885-K889 VanDerWaalsContact O-CG 3.31Å; Q885-K889 WeakPolarHBondContact O-CG 3.49Å; Q885-K889 PolarHBondContact O-N 3.1Å; Q885-K889 VanDerWaalsContact O-N 3.15Å; A886-K889 PolarHBondContact O-N 2.75Å; Q887-K889 PolarHBondContact O-N 3.03Å; K889-S893 WeakPolarHBondContact O-CB 3.33Å; K889-S893 PolarHBondContact O-N 3.38Å
890H90.1Very high89.4Confident58 Ų5863.1 Ų63.127%0.26932%0.319SS..Hα-helixtrans-66.8-48.1177.2-169.5-115.9000112.3A886 Q887 L888 R892 S893 Q894 M1037 N1038A886-H890 PolarHBondContact O-N 2.87Å; A886-H890 VanDerWaalsContact O-N 3.14Å; Q887-H890 WeakPolarHBondContact O-CB 3.28Å; Q887-H890 PolarHBondContact O-N 3.46Å; Q887-H890 VanDerWaalsContact O-N 3.16Å; L888-H890 VanDerWaalsContact C-N 3.32Å; L888-H890 PolarHBondContact O-N 3.3Å; H890-R892 VanDerWaalsContact C-N 3.34Å; H890-R892 PolarHBondContact O-N 2.98Å; H890-S893 WeakPolarHBondContact O-CB 3.33Å; H890-S893 PolarHBondContact O-N 3.01Å; H890-S893 VanDerWaalsContact O-N 3.14Å; H890-Q894 PolarHBondContact CE1-NE2 3.43Å; H890-Q894 WeakPolarHBondContact O-CG 3.39Å; H890-Q894 PolarHBondContact O-N 2.91Å; H890-M1037 PolarHBondContact CE1-O 2.9Å; H890-M1037 VanDerWaalsContact CE1-O 3.24Å; H890-N1038 PolarHBondContact CE1-OD1 3.48Å; H890-N1038 VanDerWaalsContact CE1-OD1 3.23Å; H890-N1038 PolarHBondContact ND1-OD1 3.23Å
891V92.4Very high88.3Confident0 Ų062.1 Ų62.10%032%0.316CS..Hα-helixtrans-60-42.9177.3171.60000111.5L825 R828 E829 I832 Q887 L888 S893 Q894 A895L825-V891 HydrophobicContact CB-CG1 4.35Å; L825-V891 HydrophobicContact CD2-CG1 4.09Å; L825-V891 WeakPolarHBondContact O-CG1 3.16Å; R828-V891 HydrophobicContact CG-CG2 4.15Å; E829-V891 HydrophobicContact CB-CG1 4.04Å; I832-V891 HydrophobicContact CD1-CG2 3.81Å; Q887-V891 PolarHBondContact O-N 3.39Å; L888-V891 PolarHBondContact O-N 2.9Å; V891-S893 PolarHBondContact O-N 3.29Å; V891-Q894 PolarHBondContact O-N 3Å; V891-A895 WeakPolarHBondContact O-CB 3.24Å; V891-A895 PolarHBondContact O-N 2.85Å
892R92.3Very high86.9Confident121 Ų12164.3 Ų64.346%0.45733%0.329SS..Hα-helixtrans-64.5-36.9174.9-75178.3172172.10.5113.1E829 L888 H890 G896E829-R892 IonicContact OE1-CZ 3.98Å; E829-R892 IonicContact OE1-NE 2.62Å; E829-R892 PolarHBondContact OE1-NE 3.42Å; E829-R892 IonicContact OE1-NH2 3.65Å; E829-R892 PolarHBondContact OE1-NH2 3.36Å; E829-R892 IonicContact OE2-NE 3.12Å; L888-R892 HydrophobicContact CD1-CG 4.4Å; L888-R892 WeakPolarHBondContact O-CB 3.47Å; L888-R892 WeakPolarHBondContact O-CG 3.1Å; L888-R892 PolarHBondContact O-N 3.48Å; H890-R892 VanDerWaalsContact C-N 3.34Å; H890-R892 PolarHBondContact O-N 2.98Å; R892-G896 PolarHBondContact O-N 3.42Å
893S89.8Confident85.4Confident63 Ų6365.9 Ų65.944%0.44134%0.335SS..Hα-helixtrans-64.1-45.8173.71780000111.6K889 H890 V891 G896 M897K889-S893 WeakPolarHBondContact O-CB 3.33Å; K889-S893 PolarHBondContact O-N 3.38Å; H890-S893 WeakPolarHBondContact O-CB 3.33Å; H890-S893 PolarHBondContact O-N 3.01Å; H890-S893 VanDerWaalsContact O-N 3.14Å; V891-S893 PolarHBondContact O-N 3.29Å; S893-G896 PolarHBondContact O-N 3.32Å; S893-M897 WeakPolarHBondContact O-CG 3.41Å; S893-M897 PolarHBondContact O-N 3.42Å
894Q86.9Confident83.8Confident25 Ų2567.9 Ų67.912%0.11735%0.348CS..Hα-helixtrans-61.5-44.6175.5-69-174.5-31.500112.3L825 H890 V891 G896 M897 L898 N1038L825-Q894 HydrophobicContact CD1-CB 3.85Å; L825-Q894 HydrophobicContact CD2-CB 4.12Å; H890-Q894 PolarHBondContact CE1-NE2 3.43Å; H890-Q894 WeakPolarHBondContact O-CG 3.39Å; H890-Q894 PolarHBondContact O-N 2.91Å; V891-Q894 PolarHBondContact O-N 3Å; Q894-G896 VanDerWaalsContact C-N 3.32Å; Q894-G896 PolarHBondContact O-N 3.32Å; Q894-M897 HydrophobicContact CG-CE 4.28Å; Q894-M897 PolarHBondContact O-N 3.09Å; Q894-L898 PolarHBondContact O-N 3.48Å; Q894-N1038 PolarHBondContact NE2-ND2 2.96Å; Q894-N1038 PolarHBondContact OE1-ND2 2.98Å; Q894-N1038 PolarHBondContact OE1-OD1 3.02Å
895A85.4Confident81.7Confident11 Ų1168.2 Ų68.29%0.09135%0.354CS..Hα-helixtrans-64.8-35.8176.200000112.3L822 L825 V891 R899L822-A895 HydrophobicContact CD1-CB 4.17Å; L825-A895 HydrophobicContact CB-CB 4.38Å; L825-A895 HydrophobicContact CD1-CB 4.37Å; V891-A895 WeakPolarHBondContact O-CB 3.24Å; V891-A895 PolarHBondContact O-N 2.85Å; A895-R899 WeakPolarHBondContact O-CB 3.49Å; A895-R899 VanDerWaalsContact O-CG 3.26Å; A895-R899 WeakPolarHBondContact O-CG 3.27Å; A895-R899 PolarHBondContact O-N 3.46Å
896G83.2Confident79.6Confident36 Ų3668.7 Ų68.737%0.37137%0.365SS..Hα-helixtrans-63.8-47.8173.600000112.8R892 S893 Q894 R899 Q900R892-G896 PolarHBondContact O-N 3.42Å; S893-G896 PolarHBondContact O-N 3.32Å; Q894-G896 VanDerWaalsContact C-N 3.32Å; Q894-G896 PolarHBondContact O-N 3.32Å; G896-R899 PolarHBondContact O-N 2.84Å; G896-Q900 PolarHBondContact O-N 3.28Å
897M80.1Confident77.2Confident99 Ų9972.8 Ų72.849%0.48838%0.38SS..Hα-helixtrans-61.4-44.3176.4-69.8-175-6700111.8S893 Q894 Q900 I901S893-M897 WeakPolarHBondContact O-CG 3.41Å; S893-M897 PolarHBondContact O-N 3.42Å; Q894-M897 HydrophobicContact CG-CE 4.28Å; Q894-M897 PolarHBondContact O-N 3.09Å; M897-Q900 WeakPolarHBondContact O-CB 3.18Å; M897-Q900 PolarHBondContact O-N 3.33Å; M897-I901 WeakPolarHBondContact O-CG1 3.42Å; M897-I901 PolarHBondContact O-N 3.05Å
898L81.7Confident74.6Confident33 Ų3377.3 Ų77.317%0.17341%0.405CS..Hα-helixtrans-65.8-39.4177.2-76.1163.3000112.5L818 L825 Q894 Q900 I901 T902L818-L898 HydrophobicContact CD2-CD2 3.47Å; L818-L898 VanDerWaalsContact CD2-CD2 3.47Å; L825-L898 HydrophobicContact CD1-CD1 3.42Å; L825-L898 VanDerWaalsContact CD1-CD1 3.42Å; Q894-L898 PolarHBondContact O-N 3.48Å; L898-Q900 VanDerWaalsContact C-N 3.32Å; L898-Q900 PolarHBondContact O-N 2.98Å; L898-I901 HydrophobicContact CD2-CD1 4.43Å; L898-I901 PolarHBondContact O-N 2.72Å; L898-T902 PolarHBondContact O-N 3.36Å; L898-T902 PolarHBondContact O-OG1 3.09Å; L898-T902 VanDerWaalsContact O-OG1 3.09Å
899R82.6Confident71.6Confident144 Ų14481.4 Ų81.454%0.54344%0.435SS..Hα-helixtrans-60.1-41171.8-75.8174.7-176.2-1470.8112L822 A895 G896 T902 M903L822-R899 HydrophobicContact CD1-CG 3.94Å; L822-R899 HydrophobicContact CD2-CG 4.17Å; A895-R899 WeakPolarHBondContact O-CB 3.49Å; A895-R899 VanDerWaalsContact O-CG 3.26Å; A895-R899 WeakPolarHBondContact O-CG 3.27Å; A895-R899 PolarHBondContact O-N 3.46Å; G896-R899 PolarHBondContact O-N 2.84Å; R899-T902 PolarHBondContact O-N 3.42Å; R899-M903 WeakPolarHBondContact O-CB 3.43Å; R899-M903 WeakPolarHBondContact O-CG 3.27Å; R899-M903 PolarHBondContact O-N 2.71Å
900Q73.5Confident68.6Low129 Ų12980.6 Ų80.660%0.60344%0.437SS*.Hα-helixtrans-64.2-40.8175.7-174.1178-0.400111.9G896 M897 L898 S904G896-Q900 PolarHBondContact O-N 3.28Å; M897-Q900 WeakPolarHBondContact O-CB 3.18Å; M897-Q900 PolarHBondContact O-N 3.33Å; L898-Q900 VanDerWaalsContact C-N 3.32Å; L898-Q900 PolarHBondContact O-N 2.98Å; Q900-S904 WeakPolarHBondContact O-CB 3.43Å; Q900-S904 PolarHBondContact O-N 3.16Å; Q900-S904 PolarHBondContact O-OG 3.37Å
901I71.1Confident65.7Low76 Ų7684.2 Ų84.239%0.3947%0.466SS..Hα-helixtrans-61.9-53.4174.4-67.7163.3000110L818 M897 L898 M903 S904 S905L818-I901 HydrophobicContact CD1-CG2 3.95Å; L818-I901 HydrophobicContact CD2-CG2 4.01Å; M897-I901 WeakPolarHBondContact O-CG1 3.42Å; M897-I901 PolarHBondContact O-N 3.05Å; L898-I901 HydrophobicContact CD2-CD1 4.43Å; L898-I901 PolarHBondContact O-N 2.72Å; I901-M903 VanDerWaalsContact C-N 3.33Å; I901-M903 PolarHBondContact O-N 3.16Å; I901-S904 WeakPolarHBondContact O-CA 3.38Å; I901-S904 WeakPolarHBondContact O-CB 3.49Å; I901-S904 PolarHBondContact O-N 3.06Å; I901-S905 PolarHBondContact O-N 2.84Å; I901-S905 PolarHBondContact O-OG 3.47Å; I901-S905 VanDerWaalsContact O-OG 3.13Å
902T65.4Low62.7Low53 Ų5387.9 Ų87.933%0.32549%0.492SS..Hα-helixtrans-58.3-41.4-179.7-56.40000112.7L898 R899 S904 S905 S906L898-T902 PolarHBondContact O-N 3.36Å; L898-T902 PolarHBondContact O-OG1 3.09Å; L898-T902 VanDerWaalsContact O-OG1 3.09Å; R899-T902 PolarHBondContact O-N 3.42Å; T902-S904 VanDerWaalsContact C-N 3.31Å; T902-S904 PolarHBondContact O-N 3.28Å; T902-S905 PolarHBondContact O-N 3.49Å; T902-S906 PolarHBondContact O-N 3.44Å
903M62.3Low60Low141 Ų14190.4 Ų90.470%0.69551%0.509SS*.Hα-helixtrans-71.1-22.2175.4-74-176.8163.200113.9R899 I901 S906 N907R899-M903 WeakPolarHBondContact O-CB 3.43Å; R899-M903 WeakPolarHBondContact O-CG 3.27Å; R899-M903 PolarHBondContact O-N 2.71Å; I901-M903 VanDerWaalsContact C-N 3.33Å; I901-M903 PolarHBondContact O-N 3.16Å; M903-S906 PolarHBondContact O-OG 3.38Å; M903-N907 PolarHBondContact O-ND2 3.26Å
904S59Low57Low67 Ų6794.9 Ų94.947%0.46953%0.528SS..Hα-helixtrans-80.4-40.2173.1-56.30000111.2Q900 I901 T902 S906 N907Q900-S904 WeakPolarHBondContact O-CB 3.43Å; Q900-S904 PolarHBondContact O-N 3.16Å; Q900-S904 PolarHBondContact O-OG 3.37Å; I901-S904 WeakPolarHBondContact O-CA 3.38Å; I901-S904 WeakPolarHBondContact O-CB 3.49Å; I901-S904 PolarHBondContact O-N 3.06Å; T902-S904 VanDerWaalsContact C-N 3.31Å; T902-S904 PolarHBondContact O-N 3.28Å; S904-S906 VanDerWaalsContact C-N 3.32Å; S904-S906 PolarHBondContact O-N 2.94Å; S904-N907 PolarHBondContact O-N 3.43Å
905S50.7Low54.6Low47 Ų47101.1 Ų101.133%0.32956%0.561SS.*Hα-helixtrans-61.4-35.5-179.7-61.60000113.5I901 T902 N907 L908I901-S905 PolarHBondContact O-N 2.84Å; I901-S905 PolarHBondContact O-OG 3.47Å; I901-S905 VanDerWaalsContact O-OG 3.13Å; T902-S905 PolarHBondContact O-N 3.49Å; S905-N907 PolarHBondContact O-N 2.86Å; S905-L908 PolarHBondContact O-N 2.96Å
906S49.3Very low52.1Low78 Ų78107.4 Ų107.455%0.54559%0.593SS.*THydrogen-bonded Turntrans-70.8-9.8-178.7550000115T902 M903 S904T902-S906 PolarHBondContact O-N 3.44Å; M903-S906 PolarHBondContact O-OG 3.38Å; S904-S906 VanDerWaalsContact C-N 3.32Å; S904-S906 PolarHBondContact O-N 2.94Å
907N43.5Very low49.5Very low135 Ų135111 Ų11172%0.72261%0.609SS**THydrogen-bonded Turntrans-100.82.6-179.2-75.1-76000114.2M903 S904 S905M903-N907 PolarHBondContact O-ND2 3.26Å; S904-N907 PolarHBondContact O-N 3.43Å; S905-N907 PolarHBondContact O-N 2.86Å
908L36.7Very low47.1Very low149 Ų149111.6 Ų111.678%0.7862%0.617SS**  trans-98.10-174.2-77.9158.2000114.6S905 N910S905-L908 PolarHBondContact O-N 2.96Å; L908-N910 PolarHBondContact O-N 2.88Å
909S33.4Very low44.6Very low102 Ų102117.1 Ų117.171%0.71365%0.647SS**  trans-91.243.4-170.949.50000115
910N30.4Very low42.1Very low125 Ų125118.2 Ų118.267%0.66866%0.662SS**  trans-150.286.9173.1-146.3-4.1000114.2L908 S912L908-N910 PolarHBondContact O-N 2.88Å; N910-S912 PolarHBondContact O-N 3.17Å; N910-S912 PolarHBondContact OD1-OG 3.31Å
911P30Very low40.2Very low135 Ų135117.8 Ų117.888%0.87767%0.668SS**  trans-83.142.9-171.935.9-37.7000113.7
912S30.2Very low38.3Very low77 Ų77121 Ų12154%0.53869%0.692SS.*  trans-156.551.5-168.454.50000115.8N910N910-S912 PolarHBondContact O-N 3.17Å; N910-S912 PolarHBondContact OD1-OG 3.31Å
913Q35.4Very low36.6Very low174 Ų174124.1 Ų124.181%0.81371%0.711SS**  trans-152.1126.7148.6-119.6148.3107.900113.8
914N27Very low35.1Very low157 Ų157122.7 Ų122.784%0.8471%0.71SS**  trans-87.4108.1175.2177.7-3.2000108.6
915L36.3Very low33.7Very low155 Ų155125.1 Ų125.181%0.81272%0.724SS**  trans-125.5142.3171.3-88.2169.1000110.6
916N32.2Very low32.7Very low143 Ų143127.8 Ų127.877%0.76574%0.743SS**  trans-87.3158.8-162.1-159.8-2.5000112.5
917T28.3Very low31.7Very low113 Ų113129.2 Ų129.269%0.69375%0.753SS**  trans-30.9148.6177.9-43.20000117.1
918T30.6Very low30.9Very low110 Ų110131 Ų13168%0.67576%0.761SS**  trans121.9126.9145.4-41.30000114.6
919N29.1Very low30.6Very low149 Ų149132.6 Ų132.680%0.79777%0.77SS**  trans55.396.5166.5-62.9-10.9000119
920I30.6Very low30.4Very low168 Ų168132.8 Ų132.886%0.86278%0.777SS**  trans-127.5114.5150.6-63.6179.9000109.2
921T32.3Very low30.4Very low119 Ų119132.8 Ų132.873%0.7379%0.787SS**  trans-75.3137.2168.6-54.70000109.3V923T921-V923 VanDerWaalsContact O-CG2 3.27Å; T921-V923 WeakPolarHBondContact O-CG2 3.31Å; T921-V923 PolarHBondContact O-N 2.88Å; T921-V923 VanDerWaalsContact O-N 3.1Å
922T31.8Very low30.5Very low143 Ų143132.3 Ų132.388%0.87779%0.787SS**  trans-63.4111.5176.2-47.10000110.8
923V30.1Very low30.5Very low120 Ų120132 Ų13273%0.72780%0.796SS**  trans-93.6136.5-175.8-165.90000111.2T921T921-V923 VanDerWaalsContact O-CG2 3.27Å; T921-V923 WeakPolarHBondContact O-CG2 3.31Å; T921-V923 PolarHBondContact O-N 2.88Å; T921-V923 VanDerWaalsContact O-N 3.1Å
924T30.3Very low30.3Very low110 Ų110131.9 Ų131.968%0.67580%0.798SS**  trans-63.1129173.5-38.90000110.9S926T924-S926 PolarHBondContact O-N 3.14Å
925P30.2Very low30.4Very low118 Ų118132.2 Ų132.277%0.76680%0.797SS**SBendtrans-7786.2-175.930.4-35.2000111.7
926S28.8Very low30.3Very low104 Ų104133.2 Ų133.273%0.72780%0.798SS**  trans-15228.7-178.1-62.20000116T924T924-S926 PolarHBondContact O-N 3.14Å
927S28.4Very low30.2Very low107 Ų107130.1 Ų130.175%0.74880%0.799SS**  trans-166.346.1177.352.20000117.7
928L27.5Very low30.4Very low173 Ų173128.7 Ų128.791%0.90681%0.807SS**  trans-139.777174.3-75.8179.4000114.6
929L30.2Very low30.2Very low182 Ų182127.2 Ų127.295%0.95381%0.814SS**  trans-162.363159.9-129.1153000113.1
930A28.5Very low30.5Very low106 Ų106124.6 Ų124.688%0.87681%0.813SS**  trans-155.966.5177.200000113.3
931S30.7Very low30.6Very low125 Ų125123.6 Ų123.687%0.87482%0.815SS**  trans-156.898.3162.7-158.80000111.1
932S32.1Very low30.6Very low125 Ų125121.8 Ų121.887%0.87482%0.819SS**  trans-106.4124.6174.8-67.70000110.2
933G30Very low30.5Very low70 Ų70124.5 Ų124.572%0.72282%0.822SS**  trans64.6103.1150.600000118.7
934M31.1Very low30.4Very low173 Ų173124.2 Ų124.285%0.85283%0.825SS**  trans-138.6102.2132.3-87.1-134.2-70.400110.1
935I29.6Very low30.4Very low163 Ų163126.1 Ų126.184%0.83684%0.837SS**  trans-106.3106.2159.8-61.4177.5000106.5
936H34.3Very low30.4Very low177 Ų177125.9 Ų125.982%0.81983%0.833SS**  trans-106124.8156.4-92.177.6000107.1
937G30.3Very low30.2Very low77 Ų77128 Ų12879%0.79484%0.836SS**  trans-89.5175.5-170.500000114.2
938G31Very low30.4Very low84 Ų84130 Ų13087%0.86684%0.844SS**  trans172.353.7178.100000119.7
939G28.1Very low30.3Very low79 Ų79130 Ų13081%0.81484%0.839SS**  trans81.3170.3144.100000122
940A34.6Very low30.1Very low93 Ų93128.9 Ų128.977%0.76983%0.829SS**  trans66.980.7160.600000121.2
941T32.9Very low30.4Very low148 Ų148130.2 Ų130.291%0.90882%0.82SS**  34.4124.6120.858.20000121.2
942G31.3Very low30.4Very low80 Ų80132 Ų13283%0.82582%0.818SS**  trans-175104.6163.900000115.7
943Q31.5Very low30.6Very low201 Ų201131.2 Ų131.294%0.93981%0.81SS**  trans-57.6166.5-171-64.6170.6-11.500118.4
944S26.3Very low30.6Very low113 Ų113135.6 Ų135.679%0.7982%0.817SS**  trans-82.2149.8175.356.80000115.3
945V32.1Very low30.6Very low150 Ų150133.3 Ų133.391%0.90982%0.816SS**  trans-145.1154146.7-157.90000110.7
946T29.8Very low30.7Very low113 Ų113132.6 Ų132.669%0.69381%0.813SS**  trans-102153.7-174.4-19.70000113.2
947N24.8Very low30.4Very low149 Ų149130.5 Ų130.580%0.79781%0.813SS**  trans54.1133.4155.4-67.5-19.6000120.8
948V31.7Very low30.6Very low150 Ų150130.1 Ų130.191%0.90981%0.809SS**  -176.9162.5121.2144.20000109.9
949Q26.4Very low30.6Very low173 Ų173132.3 Ų132.381%0.80881%0.806SS**  trans-106.7173.1-166.1-173.6168.7-7.200113.2
950H25.8Very low30.9Very low157 Ų157134 Ų13473%0.72780%0.801SS**  trans111.6158.3139.7-141.2-85.3000119.6
951I33.7Very low30.6Very low135 Ų135137 Ų13769%0.69280%0.803SS**  trans84130.2168.6-41.8-75.7000118.6
952I32Very low30.7Very low163 Ų163135.7 Ų135.784%0.83680%0.798SS**  trans-138.2145.7165.3-58169.9000107.8
953P34.8Very low30.7Very low107 Ų107138.5 Ų138.570%0.69580%0.798SS**  trans-144.6125150.633.3-14.7000118.1
954N31Very low30.5Very low163 Ų163135.7 Ų135.787%0.87279%0.79SS**  trans42.7127.3136.4-62.2-4.3000125.6
955C30.4Very low30.7Very low124 Ų124135.8 Ų135.884%0.83879%0.79SS**  trans-163.8169.7141.363.60000111.6
956L30.9Very low30.6Very low149 Ų149133.5 Ų133.578%0.7878%0.78SS**  -151.699.5-54.6-110.9175.9000112.3
957T30Very low30.7Very low133 Ų133131.2 Ų131.282%0.81678%0.779SS**  trans42130.3143.657.60000125.5
958G33.1Very low31.1Very low69 Ų69133.1 Ų133.171%0.71178%0.781SS**  trans123.3147.6140.700000117.8
959T31.7Very low31.1Very low129 Ų129131.7 Ų131.779%0.79177%0.768SS**  cis-165.7155.9-19.6-7.40000112.9
960T33.4Very low31.2Very low116 Ų116130 Ų13071%0.71276%0.764SS**  trans66.3115.1152.248.90000125.1
961N29.5Very low31.5Very low154 Ų154129 Ų12982%0.82476%0.763SS**  83.6127127.8-65.3-0.7000124.2
962P33.6Very low31.3Very low121 Ų121128.2 Ų128.279%0.78677%0.765SS**  trans-119.6158.117041.4-31000115.8
963V32Very low31.3Very low139 Ų139125.7 Ų125.784%0.84276%0.762SS**  trans-152.8112.8166-168.40000106.4
964N27.9Very low31.2Very low142 Ų142125.3 Ų125.376%0.75976%0.762SS**  70.3107.764.8-172.825.6000116.1
965C30Very low31.2Very low116 Ų116122.5 Ų122.578%0.78475%0.747SS**  trans173.3153.3143.4-95.80000110.2
966S29.7Very low31.2Very low101 Ų101120.6 Ų120.671%0.70674%0.735SS**  cis-175.3133.4-2852.20000111.3
967G33.2Very low31.2Very low66 Ų66119.1 Ų119.168%0.6874%0.736SS**  trans77.1162.716400000116.6
968F32.3Very low31.2Very low189 Ų189117.8 Ų117.883%0.82973%0.733SS**  cis-130.6133.2-7.8-94.9-107.3000107.2
969N30.9Very low31.1Very low120 Ų120121.8 Ų121.864%0.64274%0.737SS**  59.4138.381.3-66.9-22.3000114.5
970L30.3Very low30.9Very low137 Ų137120.7 Ų120.772%0.71773%0.734SS**  cis-170.7168.7-7.3-113.2172.9000109.4
971L32Very low30.9Very low136 Ų136120.3 Ų120.371%0.71274%0.737SS**  trans58118.8169.2-79.476.3000117
972T29.5Very low31Very low119 Ų119117.6 Ų117.673%0.7373%0.73SS**  63.5113.16072.70000116.7
973S31.3Very low30.8Very low110 Ų110117.7 Ų117.777%0.76973%0.728SS**  trans-171.5145.1135.6-83.60000111.6
974S31.8Very low30.7Very low99 Ų99116.2 Ų116.269%0.69272%0.724SS**  trans-82.3149.3-175.8-43.40000113.2
975N31Very low30.7Very low104 Ų104113.8 Ų113.856%0.55672%0.724SS**  -179.9168117.6-101.4-67.9000112.3G511G511-N975 WeakPolarHBondContact CA-OD1 3.49Å
976S31.3Very low30.7Very low84 Ų84116.1 Ų116.159%0.58773%0.727SS**  trans-99.9137.5-175.544.50000113.9
977S31.5Very low30.8Very low117 Ų117116.3 Ų116.382%0.81873%0.726SS**  trans-168.8153148.550.10000110.6
978S30.1Very low30.6Very low105 Ų105118.7 Ų118.773%0.73473%0.733SS**  trans-90.2152.4179.551.70000113.4
979L29.7Very low30.3Very low154 Ų154114 Ų11481%0.80672%0.724SS**  trans163.7113.3144.7-105.671.8000105.3
980S28.4Very low30.2Very low105 Ų105114.8 Ų114.873%0.73472%0.717SS**  80.680.664.180.70000115.2
981S32.2Very low29.9Very low109 Ų109113.8 Ų113.876%0.76272%0.721SS**  trans-171.5146.1166.352.90000110.7
982S32.5Very low29.5Very low96 Ų96111.8 Ų111.867%0.67172%0.724SS**  cis178.6127.7-28.242.80000109.2
983T29.2Very low29.4Very low123 Ų123113.6 Ų113.676%0.75573%0.727SS**  trans60.4165.7152.148.20000122
984S29.8Very low29.1Very low108 Ų108113.1 Ų113.176%0.75572%0.724SS**  trans69.195.7161.649.10000120.2
985A28.5Very low29.1Very low91 Ų91114.5 Ų114.575%0.75273%0.729SS**  21.4134.9121.400000120.2
986L28.8Very low29Very low165 Ų165117.6 Ų117.686%0.86474%0.74SS**  -163.9160.898.6-93.1166.5000109.6
987P33.4Very low28.8Very low105 Ų105119 Ų11968%0.68275%0.749SS**  trans-86-171.9-179.737.3-36.3000112.1
988S28.8Very low28.7Very low117 Ų117117 Ų11782%0.81875%0.747SS**  trans78.7146.1-178.185.10000114.6
989S26.3Very low28.6Very low91 Ų91119.1 Ų119.164%0.63675%0.751SS**  cis-169.1166.9-18.656.30000112.5
990W27Very low28.6Very low135 Ų135119.3 Ų119.351%0.51175%0.749SS.*  trans80.2161.1150.4-78.327.7000122.4H142 I143H142-W990 AromaticContact CE1-CH2 3.61Å; H142-W990 AromaticContact ND1-CH2 3.96Å; I143-W990 HydrophobicContact CB-CH2 4.27Å; I143-W990 HydrophobicContact CD1-CH2 3.65Å; I143-W990 HydrophobicContact CD1-CZ3 3.8Å; I143-W990 HydrophobicContact CG2-CH2 4.09Å; I143-W990 HydrophobicContact CG2-CZ2 4.09Å
991C25.9Very low28.7Very low117 Ų117121.3 Ų121.379%0.79175%0.75SS**  trans75.487.4159.7-72.20000120.4
992A22.6Very low28.7Very low94 Ų94122.2 Ų122.278%0.77776%0.757SS**  trans-56159.7154.300000115.4
993I27.7Very low28.5Very low156 Ų156120.9 Ų120.980%0.876%0.758SS**  trans-158.5129.8147.9-93.7143.6000104.7
994S25.7Very low28.6Very low101 Ų101121.3 Ų121.371%0.70676%0.764SS**  cis89.769.727.1-166.10000116.1
995T30.8Very low28.5Very low128 Ų128124.5 Ų124.579%0.78577%0.773SS**  trans-143.9105.7157.147.70000106
996Q28.9Very low28.7Very low169 Ų169130 Ų13079%0.7978%0.78SS**  cis48.6118.248.7-162.5164.615.600113.7
997S26Very low28.6Very low113 Ų113128.6 Ų128.679%0.7978%0.778SS**  trans-44130.1174.550.70000114.3
998G30.1Very low28.4Very low75 Ų75130.8 Ų130.877%0.77378%0.784SS**  trans-15682.1-18000000113.3M1000G998-M1000 PolarHBondContact O-N 3.3Å
999N28.4Very low28.3Very low150 Ų150132.5 Ų132.580%0.80278%0.779SS**  trans-45.2125.2171.3-65.4-18000113.1
1000M30Very low28.2Very low157 Ų157133.4 Ų133.477%0.77378%0.783SS**  169.3124.4105.1-90.8177.7-75.700115.8G998G998-M1000 PolarHBondContact O-N 3.3Å
1001I30.4Very low28.2Very low148 Ų148134.4 Ų134.476%0.75980%0.797SS**  63.8102.4126.3-58172.9000119.7
1002S31.6Very low28.2Very low128 Ų128135 Ų13590%0.89579%0.793SS**  68.9152.3126.8-157.30000121.7
1003G29.5Very low28.5Very low68 Ų68137.8 Ų137.870%0.70179%0.793SS**  trans173.4-25.116500000120
1004C30.5Very low28.4Very low132 Ų132134.1 Ų134.189%0.89278%0.781SS**  trans-131.991.8-167.8-67.80000114.3K1006C1004-K1006 PolarHBondContact O-N 3.35Å
1005N28.3Very low28.4Very low175 Ų175135.4 Ų135.494%0.93679%0.785SS**  trans-72.9113.1171-77.9-33.7000111.7
1006K32.1Very low28.4Very low207 Ų207135.2 Ų135.290%0.978%0.783SS**  trans-138.7122.1148.2-99.9-177.1-178.6177.10110.2C1004 N1008C1004-K1006 PolarHBondContact O-N 3.35Å; K1006-N1008 PolarHBondContact O-N 3.04Å
1007T26.1Very low28.3Very low135 Ų135129.8 Ų129.883%0.82877%0.772SS**  trans-70.9116-179.347.20000111.6
1008N29.4Very low28.5Very low151 Ų151131.5 Ų131.581%0.80777%0.773SS**  trans-138.8107.1144.5-80.4-41.2000104.5K1006K1006-N1008 PolarHBondContact O-N 3.04Å
1009Q26.2Very low28.3Very low153 Ų153135.6 Ų135.672%0.71578%0.777SS**  49107.293.4-72.9-71.212.600111.4L1011Q1009-L1011 PolarHBondContact O-N 3.27Å
1010P25.1Very low28.5Very low110 Ų110133.7 Ų133.771%0.71478%0.775SS**  trans-59.7135.4161.828.7-32.7000107.4N1012P1010-N1012 PolarHBondContact O-N 3.19Å
1011L27.9Very low28.4Very low155 Ų155134.5 Ų134.581%0.81278%0.783SS**  trans-7570.6177.1-79.1172.8000110.9Q1009 I1013Q1009-L1011 PolarHBondContact O-N 3.27Å; L1011-I1013 HydrophobicContact CB-CG1 4.37Å; L1011-I1013 PolarHBondContact O-N 3.47Å
1012N24.6Very low28.5Very low130 Ų130131 Ų13170%0.69578%0.784SS**  trans-55.396.1142.9174.612.1000106.9P1010 S1014P1010-N1012 PolarHBondContact O-N 3.19Å; N1012-S1014 PolarHBondContact O-N 2.97Å; N1012-S1014 PolarHBondContact OD1-N 3.42Å
1013I28.8Very low28.3Very low152 Ų152131 Ų13178%0.77978%0.783SS**  trans-74.571.3169.2-56.6-176.6000107.3L1011L1011-I1013 HydrophobicContact CB-CG1 4.37Å; L1011-I1013 PolarHBondContact O-N 3.47Å
1014S25.8Very low28.4Very low79 Ų79136 Ų13655%0.55279%0.788SS**  trans-67.3132165.7177.20000108.5N1012 V1016N1012-S1014 PolarHBondContact O-N 2.97Å; N1012-S1014 PolarHBondContact OD1-N 3.42Å; S1014-V1016 PolarHBondContact O-N 2.9Å
1015V26.2Very low28.4Very low128 Ų128134.7 Ų134.778%0.77678%0.781SS**  trans-27120165.9-1790000113.5
1016V30.1Very low28.5Very low124 Ų124132.8 Ų132.875%0.75277%0.769SS**  trans-130.797.2147.3-178.10000107.5S1014 N1018S1014-V1016 PolarHBondContact O-N 2.9Å; V1016-N1018 PolarHBondContact O-N 2.95Å
1017G26.9Very low28.4Very low55 Ų55128.8 Ų128.857%0.56776%0.757SS**  trans-74.6111.8171.300000110.3
1018N29.6Very low28.5Very low149 Ų149131.4 Ų131.480%0.79776%0.758SS**  trans-81.8115.5162.9-84.8-21.5000108.7V1016 S1020V1016-N1018 PolarHBondContact O-N 2.95Å; N1018-S1020 PolarHBondContact O-N 3.37Å
1019N26.6Very low28.5Very low162 Ų162131.8 Ų131.887%0.86676%0.759SS**  trans-71.5106.9-173.2-66.5-60.1000112.6
1020S32.9Very low28.8Very low109 Ų109129.1 Ų129.176%0.76276%0.755SS**  trans-153.699.4156.957.50000111.2N1018 G1022N1018-S1020 PolarHBondContact O-N 3.37Å; S1020-G1022 PolarHBondContact O-N 3.48Å
1021N28.8Very low29Very low175 Ų175130.8 Ų130.894%0.93676%0.758SS**  trans-39.6120.8-176.4-54.1-24000115.4
1022G31.2Very low28.9Very low75 Ų75131.1 Ų131.177%0.77376%0.755SS**  trans177.8105.5169.900000110.4S1020S1020-G1022 PolarHBondContact O-N 3.48Å
1023S27.4Very low29.1Very low127 Ų127128.3 Ų128.389%0.88875%0.746SS**  trans-99.796.9-172.556.90000112
1024E32.2Very low29Very low173 Ų173128 Ų12881%0.80875%0.746SS**  trans-124.7118.8168.4-66.5-176.8-171.900108.2I1026E1024-I1026 PolarHBondContact O-N 3.36Å
1025S30Very low29.2Very low104 Ų104131.8 Ų131.873%0.72775%0.753SS**  trans-82.6106.5-179.6-155.50000109.4D1027S1025-D1027 WeakPolarHBondContact CB-OD1 3.44Å; S1025-D1027 PolarHBondContact O-N 3.02Å; S1025-D1027 PolarHBondContact OG-OD1 2.99Å
1026I31.7Very low29.4Very low135 Ų135131.6 Ų131.669%0.69275%0.747SS**  trans-86.587.4169.2-57.8178.7000106.9E1024 F1028E1024-I1026 PolarHBondContact O-N 3.36Å; I1026-F1028 HydrophobicContact CG2-CD2 4.14Å; I1026-F1028 HydrophobicContact CG2-CE2 3.87Å; I1026-F1028 WeakPolarHBondContact O-CD2 3.43Å; I1026-F1028 PolarHBondContact O-N 3.4Å
1027D29.2Very low29.4Very low123 Ų123131.5 Ų131.566%0.65874%0.74SS**  trans-71.295.4-179.2-70.1-1.9000110S1025 L1029S1025-D1027 WeakPolarHBondContact CB-OD1 3.44Å; S1025-D1027 PolarHBondContact O-N 3.02Å; S1025-D1027 PolarHBondContact OG-OD1 2.99Å; D1027-L1029 VanDerWaalsContact C-N 3.29Å; D1027-L1029 PolarHBondContact O-N 3.45Å
1028F27.8Very low29.5Very low190 Ų190130.6 Ų130.683%0.83372%0.722SS**  trans-66.986.9168.6-82.4-92.6000109.9I1026 P1030I1026-F1028 HydrophobicContact CG2-CD2 4.14Å; I1026-F1028 HydrophobicContact CG2-CE2 3.87Å; I1026-F1028 WeakPolarHBondContact O-CD2 3.43Å; I1026-F1028 PolarHBondContact O-N 3.4Å; F1028-P1030 VanDerWaalsContact O-CD 3.25Å; F1028-P1030 WeakPolarHBondContact O-CD 3.32Å
1029L30.5Very low29.5Very low159 Ų159129 Ų12983%0.83272%0.723SS**  trans-62.5117.8170.8-90.5164000110.4D1027D1027-L1029 VanDerWaalsContact C-N 3.29Å; D1027-L1029 PolarHBondContact O-N 3.45Å
1030P31.9Very low29.6Very low97 Ų97125.7 Ų125.763%0.6370%0.704SS**  trans-70.3132.1161.530.9-31.8000108.3F1028 Q1032F1028-P1030 VanDerWaalsContact O-CD 3.25Å; F1028-P1030 WeakPolarHBondContact O-CD 3.32Å; P1030-Q1032 PolarHBondContact O-N 3.48Å
1031D27.9Very low29.5Very low145 Ų145124.4 Ų124.478%0.77569%0.689SS**  trans-75.269.6-172.3-160.7-11.4000112.3S1033D1031-S1033 VanDerWaalsContact C-N 3.32Å; D1031-S1033 PolarHBondContact O-N 3.1Å; D1031-S1033 PolarHBondContact OD1-OG 3.34Å
1032Q26.8Very low29.8Very low163 Ų163121.7 Ų121.776%0.76267%0.665SS**  trans-91.565.7171.2-69-151.729.100110.6P1030 N1034P1030-Q1032 PolarHBondContact O-N 3.48Å; Q1032-N1034 PolarHBondContact O-N 3.18Å
1033S28.5Very low29.7Very low70 Ų70124 Ų12449%0.4966%0.656SS.*  trans-71.166.2173.6330000111.8D1031 F1035D1031-S1033 VanDerWaalsContact C-N 3.32Å; D1031-S1033 PolarHBondContact O-N 3.1Å; D1031-S1033 PolarHBondContact OD1-OG 3.34Å; S1033-F1035 PolarHBondContact O-N 3.08Å
1034N26.1Very low29.6Very low147 Ų147124 Ų12479%0.78666%0.656SS**  trans-75.761.8-177.2-147.5-12.1000111.2Q1032 N1036Q1032-N1034 PolarHBondContact O-N 3.18Å; N1034-N1036 PolarHBondContact O-N 3.44Å
1035F32Very low29.4Very low158 Ų158120 Ų12069%0.69365%0.647SS**  trans-72.6123-171-79.9-65.1000112.6S1033 M1037S1033-F1035 PolarHBondContact O-N 3.08Å; F1035-M1037 WeakPolarHBondContact O-CG 3.39Å; F1035-M1037 PolarHBondContact O-N 3.16Å
1036N29.9Very low29.4Very low123 Ų123119.8 Ų119.866%0.65864%0.643SS**  trans-68.688.2178.9-174.3-1000111.4N1034 N1038N1034-N1036 PolarHBondContact O-N 3.44Å; N1036-N1038 PolarHBondContact O-N 3.08Å; N1036-N1038 WeakPolarHBondContact OD1-CB 3.26Å; N1036-N1038 PolarHBondContact OD1-ND2 3.19Å
1037M29.8Very low29.2Very low122 Ų122123.6 Ų123.660%0.60165%0.649SS**  trans-70.737.2-171.6-61.3-144.7-64.100115.9H890 F1035 S1039H890-M1037 PolarHBondContact CE1-O 2.9Å; H890-M1037 VanDerWaalsContact CE1-O 3.24Å; F1035-M1037 WeakPolarHBondContact O-CG 3.39Å; F1035-M1037 PolarHBondContact O-N 3.16Å; M1037-S1039 PolarHBondContact O-N 3.28Å
1038N28.6Very low29.2Very low37 Ų37122 Ų12220%0.19865%0.647CS.*  trans-89.20.6-164.6-99.4-46.5000117.5R828 H890 Q894 N1036R828-N1038 PolarHBondContact NH1-ND2 3.27Å; R828-N1038 PolarHBondContact NH1-OD1 3.07Å; H890-N1038 PolarHBondContact CE1-OD1 3.48Å; H890-N1038 VanDerWaalsContact CE1-OD1 3.23Å; H890-N1038 PolarHBondContact ND1-OD1 3.23Å; Q894-N1038 PolarHBondContact NE2-ND2 2.96Å; Q894-N1038 PolarHBondContact OE1-ND2 2.98Å; Q894-N1038 PolarHBondContact OE1-OD1 3.02Å; N1036-N1038 PolarHBondContact O-N 3.08Å; N1036-N1038 WeakPolarHBondContact OD1-CB 3.26Å; N1036-N1038 PolarHBondContact OD1-ND2 3.19Å
1039S28.8Very low29.1Very low115 Ų115116.6 Ų116.680%0.80465%0.646SS**  trans-142.657.6-174-57.70000113.8M1037M1037-S1039 PolarHBondContact O-N 3.28Å
1040L29.9Very low28.9Very low92 Ų92114.6 Ų114.648%0.48265%0.645SS.*  trans-135.870.6172-73.9175.5000111.5W1042L1040-W1042 WeakPolarHBondContact O-CH2 3.16Å; L1040-W1042 WeakPolarHBondContact O-CZ3 3.34Å
1041L30.9Very low28.6Very low83 Ų83114.9 Ų114.944%0.43565%0.649SS.*  trans-85135.5166-95.4154000109.8E1043L1041-E1043 HydrophobicContact CB-CB 4.45Å; L1041-E1043 HydrophobicContact CB-CG 3.96Å; L1041-E1043 HydrophobicContact CD2-CG 4.31Å; L1041-E1043 PolarHBondContact O-N 3.38Å
1042W34Very low28.7Very low118 Ų118113.9 Ų113.945%0.44765%0.651SS.*  trans-79.745.7171.9-58.7-96.4000111.4L1040 S1044 P1171 H1172 I1173L1040-W1042 WeakPolarHBondContact O-CH2 3.16Å; L1040-W1042 WeakPolarHBondContact O-CZ3 3.34Å; W1042-S1044 PolarHBondContact O-N 2.81Å; W1042-P1171 WeakPolarHBondContact CH2-O 3.31Å; W1042-P1171 WeakPolarHBondContact CZ2-O 3.29Å; W1042-P1171 WeakPolarHBondContact CZ3-O 3.48Å; W1042-P1171 PolarHBondContact NE1-O 3.27Å; W1042-H1172 VanDerWaalsContact CH2-C 3.47Å; W1042-H1172 VanDerWaalsContact CH2-CA 3.44Å; W1042-I1173 PolarHBondContact NE1-O 2.91Å
1043E29.6Very low28.7Very low123 Ų123114.8 Ų114.858%0.57566%0.655SS**  trans-70117.4-177.5-86.1166.6163.900110.6L1041 S1045L1041-E1043 HydrophobicContact CB-CB 4.45Å; L1041-E1043 HydrophobicContact CB-CG 3.96Å; L1041-E1043 HydrophobicContact CD2-CG 4.31Å; L1041-E1043 PolarHBondContact O-N 3.38Å; E1043-S1045 VanDerWaalsContact C-N 3.33Å; E1043-S1045 PolarHBondContact O-N 3.5Å
1044S25.5Very low28.8Very low126 Ų126119.7 Ų119.788%0.88168%0.675SS**  trans-69.981.8-173.652.70000112W1042W1042-S1044 PolarHBondContact O-N 2.81Å
1045S27.2Very low28.8Very low91 Ų91119.6 Ų119.664%0.63667%0.669SS**  trans-100.8135.8170.2-67.80000111.1E1043E1043-S1045 VanDerWaalsContact C-N 3.33Å; E1043-S1045 PolarHBondContact O-N 3.5Å
1046P30.5Very low28.8Very low98 Ų98119 Ų11964%0.63667%0.669SS**  trans-67.9144.6173.929.2-34.1000111S1048P1046-S1048 PolarHBondContact O-N 2.89Å
1047W28.4Very low28.7Very low216 Ų216119.2 Ų119.282%0.81867%0.67SS**  trans-76.181.6-176.5-76.640.3000112G1049W1047-G1049 PolarHBondContact O-N 3.34Å
1048S29.5Very low28.8Very low88 Ų88121.1 Ų121.162%0.61568%0.675SS**  trans-87.397.7167.4-69.60000110.1P1046 S1050P1046-S1048 PolarHBondContact O-N 2.89Å; S1048-S1050 PolarHBondContact O-N 2.82Å
1049G24.9Very low28.8Very low78 Ų78124.8 Ų124.880%0.80470%0.701SS**  trans-68.9115.7179.700000112.7W1047W1047-G1049 PolarHBondContact O-N 3.34Å
1050S25.8Very low28.8Very low116 Ų116125.3 Ų125.381%0.81170%0.699SS**  trans-153.476.5167.7-76.70000110.6S1048S1048-S1050 PolarHBondContact O-N 2.82Å
1051S26Very low28.7Very low104 Ų104129 Ų12973%0.72772%0.719SS**PPolyproline II helixtrans-65.8129.7158.8-54.50000108.4Q1053S1051-Q1053 PolarHBondContact O-N 3.17Å; S1051-Q1053 VanDerWaalsContact O-N 3.17Å
1052P29.4Very low28.6Very low124 Ų124135.6 Ų135.681%0.80574%0.739SS**PPolyproline II helixtrans-64.1119.2174.926.2-32.9000109.2L1054P1052-L1054 PolarHBondContact O-N 2.87Å
1053Q27.9Very low28.3Very low182 Ų182137.5 Ų137.585%0.8576%0.758SS**PPolyproline II helixtrans-70.3117.4179-68.5-173.8300110.3S1051 H1055S1051-Q1053 PolarHBondContact O-N 3.17Å; S1051-Q1053 VanDerWaalsContact O-N 3.17Å; Q1053-H1055 PolarHBondContact O-N 2.92Å; Q1053-H1055 VanDerWaalsContact O-N 3.16Å
1054L29.4Very low28.3Very low173 Ų173137.2 Ų137.291%0.90677%0.769SS**  trans-72.3103.8159.3-73.1177000108.3P1052 E1056P1052-L1054 PolarHBondContact O-N 2.87Å; L1054-E1056 PolarHBondContact O-N 3.33Å
1055H26.8Very low28.6Very low144 Ų144139 Ų13967%0.66777%0.768SS**  trans-82.587.4-176.6168-86.4000110.6Q1053 N1057Q1053-H1055 PolarHBondContact O-N 2.92Å; Q1053-H1055 VanDerWaalsContact O-N 3.16Å; H1055-N1057 PolarHBondContact CE1-ND2 3.1Å; H1055-N1057 PolarHBondContact NE2-ND2 3.3Å; H1055-N1057 VanDerWaalsContact NE2-ND2 3.16Å
1056E32.3Very low28.6Very low147 Ų147138.7 Ų138.769%0.68777%0.771SS**  trans-96.493.1169.7-71.1-160.1124.900111.6L1054 F1058L1054-E1056 PolarHBondContact O-N 3.33Å; E1056-F1058 HydrophobicContact CB-CD2 3.93Å; E1056-F1058 HydrophobicContact CB-CE2 4.02Å; E1056-F1058 VanDerWaalsContact CD-CE2 3.5Å; E1056-F1058 HydrophobicContact CG-CE2 4.26Å; E1056-F1058 PolarHBondContact O-N 3.44Å; E1056-F1058 VanDerWaalsContact O-N 3.08Å; E1056-F1058 WeakPolarHBondContact OE1-CE2 3.29Å
1057N28Very low28.6Very low126 Ų126139.9 Ų139.967%0.67478%0.776SS**  trans-72.593167.1-92.6-29000110.4H1055 P1059H1055-N1057 PolarHBondContact CE1-ND2 3.1Å; H1055-N1057 PolarHBondContact NE2-ND2 3.3Å; H1055-N1057 VanDerWaalsContact NE2-ND2 3.16Å; N1057-P1059 WeakPolarHBondContact O-CD 3.39Å
1058F30.7Very low28.6Very low162 Ų162134.7 Ų134.771%0.71177%0.765SS**  trans-105.792.2172.6-82.6-58.8000113.6E1056 T1060E1056-F1058 HydrophobicContact CB-CD2 3.93Å; E1056-F1058 HydrophobicContact CB-CE2 4.02Å; E1056-F1058 VanDerWaalsContact CD-CE2 3.5Å; E1056-F1058 HydrophobicContact CG-CE2 4.26Å; E1056-F1058 PolarHBondContact O-N 3.44Å; E1056-F1058 VanDerWaalsContact O-N 3.08Å; E1056-F1058 WeakPolarHBondContact OE1-CE2 3.29Å; F1058-T1060 PolarHBondContact O-N 3.23Å; F1058-T1060 VanDerWaalsContact O-N 3.08Å
1059P29.6Very low28.8Very low114 Ų114140.4 Ų140.474%0.7477%0.773SS**  trans-7689.3159.432.2-32000110N1057N1057-P1059 WeakPolarHBondContact O-CD 3.39Å
1060T28.7Very low29Very low126 Ų126145.2 Ų145.277%0.77377%0.767SS**  trans35.4103.8150.156.70000118.3F1058F1058-T1060 PolarHBondContact O-N 3.23Å; F1058-T1060 VanDerWaalsContact O-N 3.08Å
1061N28.6Very low29.1Very low170 Ų170151.9 Ų151.991%0.90977%0.774SS**  trans-144.9136.5135.5-122.9-39.4000111.6
1062R27.7Very low29.2Very low222 Ų222150.8 Ų150.884%0.83876%0.763SS**  trans-97.5167.1176.1-70.6-177.9172.8176.1-2.8109.8
1063N27.3Very low29.1Very low158 Ų158150.5 Ų150.585%0.84576%0.762SS**  trans80.578.5163.9-48-20.8000117.1
1064S31.1Very low29.1Very low116 Ų116147.9 Ų147.981%0.81176%0.763SS**  trans-148.7148.8140.755.30000111.2
1065L30.9Very low29.3Very low163 Ų163143.5 Ų143.585%0.85376%0.76SS**  trans-48.6138.7-169.9-5972.8000113
1066A28.1Very low29.5Very low85 Ų85140.1 Ų140.170%0.70276%0.764SS**  cis72.4109.63500000115.7
1067T29.3Very low29.4Very low123 Ų123138.7 Ų138.776%0.75577%0.77SS**  trans77.3102.7160.3-41.20000119.2
1068D28.7Very low29.8Very low107 Ų107138.5 Ų138.557%0.57278%0.779SS**  trans174142.1130.2-108.2-2.7000110.1
1069R32.6Very low30Very low209 Ų209134.8 Ų134.879%0.78979%0.786SS**  cis-133128.7-6-63.1-169.7170.5136.914.2108.2
1070R30.9Very low30.2Very low179 Ų179133.5 Ų133.568%0.67579%0.794SS**  60.1101.975.2-92.9179163.2-107.7-3.3114.1T1072R1070-T1072 HydrophobicContact CB-CG2 3.76Å; R1070-T1072 HydrophobicContact CG-CG2 4.11Å
1071W26.8Very low30.5Very low255 Ų255131.3 Ų131.397%0.96680%0.796SS**  trans-66.6142.1130.8-8075.8000107.7
1072T28.5Very low30.7Very low82 Ų82131.4 Ų131.450%0.50380%0.796SS.*  trans-127.7122.7-175.4550000112.4R1070R1070-T1072 HydrophobicContact CB-CG2 3.76Å; R1070-T1072 HydrophobicContact CG-CG2 4.11Å
1073P28.2Very low31Very low118 Ų118124.9 Ų124.977%0.76680%0.798SS**  trans-66.9134.1146.630.4-31.8000108.3G1075P1073-G1075 PolarHBondContact O-N 3Å
1074S27.7Very low31.3Very low127 Ų127121.3 Ų121.389%0.88880%0.799SS**  trans-71123.5179.9-66.40000111.3
1075G33.5Very low31.3Very low81 Ų81122.6 Ų122.684%0.83580%0.801SS**  trans-161.6119.5174.700000110.2P1073P1073-G1075 PolarHBondContact O-N 3Å
1076G30.9Very low31.4Very low72 Ų72121.7 Ų121.774%0.74280%0.802SS**  trans-108.3149.8-165.400000115.7
1077S30.5Very low31.6Very low118 Ų118121.4 Ų121.483%0.82581%0.808SS**  trans73.6127.1146.2-59.60000122.1
1078S35.3Very low31.8Very low122 Ų122119.1 Ų119.185%0.85381%0.809SS**  trans89.2135.4138.575.90000121.1
1079G34.4Very low32.1Very low83 Ų83120.6 Ų120.686%0.85682%0.821SS**  trans77123.4169.800000115.5
1080G33.8Very low32.1Very low88 Ų88116.3 Ų116.391%0.90782%0.824SS**  cis101103.9-2.800000113.7
1081G34.9Very low32.2Very low79 Ų79111.5 Ų111.581%0.81483%0.829SS**  trans164.8103.5176.400000115.6
1082N34.3Very low32.4Very low172 Ų172107.3 Ų107.392%0.9283%0.826SS**  trans-58.8141.8-178-58.7-42.9000117.1
1083G34Very low32.6Very low85 Ų85108.4 Ų108.488%0.87684%0.837SS**  85.2165.2116.300000120.4
1084G33.5Very low32.7Very low84 Ų84108.8 Ų108.887%0.86684%0.842SS**  trans133.188.2172.200000114.9
1085V30.1Very low32.7Very low142 Ų142108.1 Ų108.186%0.86184%0.837SS**  trans-97.4154.7169.2-89.10000111.4
1086V32.9Very low32.6Very low144 Ų144114.8 Ų114.887%0.87384%0.837SS**  156.3129.6127.4160.40000113.7
1087G33Very low32.5Very low80 Ų80118.6 Ų118.683%0.82584%0.84SS**  trans89.2140.814500000119
1088G33.2Very low32.6Very low75 Ų75118 Ų11877%0.77383%0.833SS**  trans-179.1-27.4173.800000122.8
1089V34.4Very low32.4Very low138 Ų138117.3 Ų117.384%0.83683%0.826SS**  trans65.1123.3169.3-159.40000119.7
1090S33.2Very low32.2Very low119 Ų119118.7 Ų118.783%0.83282%0.82SS**  trans64.5127.315464.60000122.7
1091G33.1Very low31.9Very low77 Ų77123.7 Ų123.779%0.79482%0.817SS**  trans166.8102.3165.100000112.4
1092N31.3Very low31.6Very low168 Ų168126.4 Ų126.490%0.89881%0.811SS**  trans-80.8126.9-171.9-90.9-6.5000114.2
1093S31.7Very low31.3Very low104 Ų104123.8 Ų123.873%0.72781%0.806SS**  -167.7138.4128.2-81.40000110.3S1095S1093-S1095 PolarHBondContact O-N 3.44Å
1094S31.6Very low30.9Very low126 Ų126123.9 Ų123.988%0.88179%0.794SS**PPolyproline II helixtrans-70.1116.8-165.3-56.20000113.9R1096S1094-R1096 PolarHBondContact O-N 2.86Å
1095S27.8Very low30.7Very low113 Ų113127.1 Ų127.179%0.7979%0.786SS**PPolyproline II helixtrans-71.2116.4168.446.80000111.3S1093S1093-S1095 PolarHBondContact O-N 3.44Å
1096R30.4Very low30.6Very low221 Ų221129 Ų12983%0.83479%0.791SS**PPolyproline II helixtrans-95.2118.2156-74.2-169.1-178.4-127.910.2108.1S1094S1094-R1096 PolarHBondContact O-N 2.86Å
1097L29.9Very low30.3Very low153 Ų153128.1 Ų128.180%0.80179%0.791SS**PPolyproline II helixtrans-64.8143.8175.4-66.5161.2000109.8
1098P32.2Very low30.1Very low104 Ų104127.9 Ų127.968%0.67578%0.776SS**PPolyproline II helixtrans-62.7147.8163.529.5-34000109.4
1099P29.8Very low30Very low109 Ų109132.1 Ų132.171%0.70878%0.781SS**PPolyproline II helixtrans-56.7140.4168.4-21.733.3000110.2F1101P1099-F1101 PolarHBondContact O-N 3.22Å
1100P30.8Very low29.9Very low112 Ų112128 Ų12873%0.72777%0.766SS**PPolyproline II helixtrans-66.8124177.327.6-33.3000109.9I1102P1100-I1102 PolarHBondContact O-N 3.5Å
1101F28.4Very low29.8Very low193 Ų193128.8 Ų128.885%0.84676%0.761SS**PPolyproline II helixtrans-59.8120.9169.8-79.4-101.6000109.6P1099P1099-F1101 PolarHBondContact O-N 3.22Å
1102I28.7Very low30Very low135 Ų135128.1 Ų128.169%0.69274%0.742SS**  trans-98.796.5172.1-60.4172.4000107.4P1100 S1104P1100-I1102 PolarHBondContact O-N 3.5Å; I1102-S1104 PolarHBondContact O-N 3.16Å
1103S26.6Very low30.3Very low117 Ų117128.3 Ų128.382%0.81873%0.731SS**  trans-71.666.6176.4-550000111.5
1104S26.3Very low30.6Very low87 Ų87126.2 Ų126.261%0.60871%0.707SS**  trans-155.256.8-177.4-54.50000111.9I1102I1102-S1104 PolarHBondContact O-N 3.16Å
1105Q29.5Very low30.9Very low153 Ų153123.6 Ų123.672%0.71569%0.688SS**  trans-129.29177.6-74-66.8-82.200114.8S1107Q1105-S1107 PolarHBondContact O-N 3.13Å
1106L28.9Very low31.6Very low182 Ų182122 Ų12295%0.95367%0.671SS**THydrogen-bonded Turntrans-74.833.7173-72.2171.4000113.3
1107S26.3Very low32.4Very low124 Ų124112.8 Ų112.887%0.86764%0.637SS**THydrogen-bonded Turntrans-154.431.1-178.7-67.10000113.7Q1105Q1105-S1107 PolarHBondContact O-N 3.13Å
1108S28.2Very low33Very low75 Ų75109.5 Ų109.552%0.52462%0.619SS.*  trans-156.8117.1164.5-172.40000111.1G1110S1108-G1110 PolarHBondContact O-N 2.89Å
1109L31.7Very low33.4Very low165 Ų165108.2 Ų108.286%0.86461%0.607SS**  trans-81.975.6163.8-80167.5000107.9
1110G30.7Very low33.8Very low51 Ų51107.3 Ų107.353%0.52660%0.596SS.*  trans-67.5158.1-172.400000114.4S1108S1108-G1110 PolarHBondContact O-N 2.89Å
1111D32.2Very low34.5Very low135 Ų135105.5 Ų105.572%0.72258%0.582SS**  trans-41.7125.5166.8-171.323.8000111.1R1113D1111-R1113 PolarHBondContact O-N 2.79Å
1112P37.5Very low35.1Very low63 Ų63100.9 Ų100.941%0.40957%0.57SS.*  trans-59.3116.2174-16.728.7000107.9W1114P1112-W1114 PolarHBondContact O-N 2.86Å
1113R37.1Very low35.3Very low173 Ų173100.9 Ų100.965%0.65357%0.572SS**  trans-75.574.2-178.4-75.3-164.6165.6-153.9-2111.3D1111 S1115 D1116D1111-R1113 PolarHBondContact O-N 2.79Å; R1113-S1115 PolarHBondContact O-N 2.89Å; R1113-S1115 VanDerWaalsContact O-N 3.1Å; R1113-D1116 HydrophobicContact CB-CB 4.28Å; R1113-D1116 WeakPolarHBondContact CB-OD2 3.47Å; R1113-D1116 WeakPolarHBondContact CD-OD2 3.33Å; R1113-D1116 IonicContact NH1-OD2 3.81Å; R1113-D1116 PolarHBondContact O-N 2.73Å
1114W38.4Very low35.5Very low60 Ų6099.8 Ų99.823%0.22756%0.564CS.*Hα-helixtrans-49.5-32.1168.8-60.6106.2000112.3P1112 D1116 M1117 M1118 H1221 L1280 I1283 Q1284P1112-W1114 PolarHBondContact O-N 2.86Å; W1114-D1116 VanDerWaalsContact C-N 3.32Å; W1114-D1116 PolarHBondContact O-N 2.72Å; W1114-M1117 HydrophobicContact CE3-SD 4.22Å; W1114-M1117 PolarHBondContact O-N 3.12Å; W1114-M1118 PolarHBondContact O-N 3.21Å; W1114-H1221 AromaticContact CH2-ND1 3.52Å; W1114-H1221 AromaticContact CZ3-ND1 3.96Å; W1114-L1280 HydrophobicContact CH2-CD2 4.1Å; W1114-L1280 HydrophobicContact CZ3-CB 4.43Å; W1114-L1280 HydrophobicContact CZ3-CD2 3.8Å; W1114-I1283 HydrophobicContact CH2-CB 4.3Å; W1114-I1283 HydrophobicContact CH2-CG2 3.67Å; W1114-I1283 HydrophobicContact CZ2-CG2 3.74Å; W1114-Q1284 HydrophobicContact CD2-CG 4.26Å; W1114-Q1284 HydrophobicContact CE3-CG 3.9Å; W1114-Q1284 HydrophobicContact CH2-CG 4.41Å; W1114-Q1284 HydrophobicContact CZ3-CG 3.95Å
1115S37.9Very low36Very low70 Ų70102.3 Ų102.349%0.4957%0.569SS.*Hα-helixtrans-49-49.7169.3-48.40000112.4R1113 M1118 N1119R1113-S1115 PolarHBondContact O-N 2.89Å; R1113-S1115 VanDerWaalsContact O-N 3.1Å; S1115-M1118 PolarHBondContact O-N 3.13Å; S1115-N1119 WeakPolarHBondContact O-CB 3.38Å; S1115-N1119 PolarHBondContact O-N 3.2Å; S1115-N1119 PolarHBondContact O-ND2 3.24Å; S1115-N1119 VanDerWaalsContact O-ND2 3.11Å
1116D41.6Very low36Very low80 Ų80102 Ų10243%0.42857%0.572SS.*Hα-helixtrans-77.6-30.5-169.1-59-16.9000110.7R1113 W1114 M1118R1113-D1116 HydrophobicContact CB-CB 4.28Å; R1113-D1116 WeakPolarHBondContact CB-OD2 3.47Å; R1113-D1116 WeakPolarHBondContact CD-OD2 3.33Å; R1113-D1116 IonicContact NH1-OD2 3.81Å; R1113-D1116 PolarHBondContact O-N 2.73Å; W1114-D1116 VanDerWaalsContact C-N 3.32Å; W1114-D1116 PolarHBondContact O-N 2.72Å; D1116-M1118 VanDerWaalsContact C-N 3.28Å; D1116-M1118 PolarHBondContact O-N 2.83Å
1117M47.1Very low36Very low27 Ų2799.1 Ų99.113%0.13356%0.558CS.*Hα-helixtrans-66.5-25.3171.5-59.2-179.484.800113.7W1114 I1158 L1280W1114-M1117 HydrophobicContact CE3-SD 4.22Å; W1114-M1117 PolarHBondContact O-N 3.12Å; M1117-I1158 HydrophobicContact CE-CD1 4.33Å; M1117-I1158 HydrophobicContact CE-CG1 4.05Å; M1117-L1280 HydrophobicContact CE-CD1 4.02Å
1118M43.3Very low36.3Very low84 Ų8498.3 Ų98.341%0.41455%0.548SS..Hα-helixtrans-102.5-30-178.7-73.6-73.4-166.700113.4W1114 S1115 D1116 D1120 V1121W1114-M1118 PolarHBondContact O-N 3.21Å; S1115-M1118 PolarHBondContact O-N 3.13Å; D1116-M1118 VanDerWaalsContact C-N 3.28Å; D1116-M1118 PolarHBondContact O-N 2.83Å; M1118-D1120 VanDerWaalsContact C-N 3.3Å; M1118-D1120 PolarHBondContact O-N 2.85Å; M1118-V1121 WeakPolarHBondContact O-CB 3.35Å; M1118-V1121 WeakPolarHBondContact O-CG2 3.37Å; M1118-V1121 PolarHBondContact O-N 3.45Å; M1118-V1121 VanDerWaalsContact O-N 3.13Å
1119N40.3Very low36.5Very low77 Ų77105.4 Ų105.441%0.41256%0.563SS.*Hα-helixtrans-69.5-23.5-175.3-76.8-23.2000113.8S1115 V1121 T1122 N1123S1115-N1119 WeakPolarHBondContact O-CB 3.38Å; S1115-N1119 PolarHBondContact O-N 3.2Å; S1115-N1119 PolarHBondContact O-ND2 3.24Å; S1115-N1119 VanDerWaalsContact O-ND2 3.11Å; N1119-V1121 PolarHBondContact O-N 3.39Å; N1119-T1122 PolarHBondContact O-N 3.28Å; N1119-T1122 PolarHBondContact O-OG1 2.66Å; N1119-N1123 PolarHBondContact O-N 2.99Å
1120D39.1Very low36.4Very low91 Ų91108.6 Ų108.649%0.48756%0.564SS.*Hα-helixtrans-58-29.4170.6-91.1-12.2000112.5M1118 T1122M1118-D1120 VanDerWaalsContact C-N 3.3Å; M1118-D1120 PolarHBondContact O-N 2.85Å; D1120-T1122 VanDerWaalsContact C-N 3.27Å; D1120-T1122 PolarHBondContact O-N 3.38Å
1121V45Very low36.4Very low73 Ų73115 Ų11544%0.44258%0.58SS.*Hα-helixtrans-71.5-20.7-176.9-173.60000112.3M1118 N1119 P1155M1118-V1121 WeakPolarHBondContact O-CB 3.35Å; M1118-V1121 WeakPolarHBondContact O-CG2 3.37Å; M1118-V1121 PolarHBondContact O-N 3.45Å; M1118-V1121 VanDerWaalsContact O-N 3.13Å; N1119-V1121 PolarHBondContact O-N 3.39Å; V1121-P1155 HydrophobicContact CG2-CB 4.26Å; V1121-P1155 HydrophobicContact CG2-CG 3.91Å
1122T40.5Very low36.2Very low97 Ų97112.6 Ų112.660%0.59557%0.574SS**Hα-helixtrans-118.3-17.4-170.350.10000115.9N1119 D1120N1119-T1122 PolarHBondContact O-N 3.28Å; N1119-T1122 PolarHBondContact O-OG1 2.66Å; D1120-T1122 VanDerWaalsContact C-N 3.27Å; D1120-T1122 PolarHBondContact O-N 3.38Å
1123N33Very low35.8Very low134 Ų134119.1 Ų119.172%0.71760%0.596SS**Hα-helixtrans-112.8-4.5-174.3-70.1-63.5000116N1119N1119-N1123 PolarHBondContact O-N 2.99Å
1124S31.5Very low35.3Very low95 Ų95116.5 Ų116.566%0.66461%0.605SS**  trans-94.31.6-169.9-1540000115.8N1126S1124-N1126 PolarHBondContact O-N 3.37Å
1125I36Very low34.9Very low139 Ų139118.5 Ų118.571%0.71363%0.634SS**SBendtrans-79-20-167.3-68.2177.2000114.2
1126N29.4Very low34.5Very low146 Ų146118.7 Ų118.778%0.78165%0.647SS**  trans-141.888.3-177.1-72.3-66000113.9S1124S1124-N1126 PolarHBondContact O-N 3.37Å
1127D29.1Very low34Very low122 Ų122120.9 Ų120.965%0.65266%0.663SS**  -163.4107.8125.4-132.7-21.9000115.5
1128T32.9Very low33.1Very low108 Ų108126.4 Ų126.466%0.66369%0.693SS**  trans56.6101.6136.2-580000122.5
1129R31.8Very low32.6Very low223 Ų223131.3 Ų131.384%0.84272%0.715SS**  trans62.4115.2135.9-65.6-179.4176.5-162-2.7119.7
1130R29.6Very low32.3Very low233 Ų233134.7 Ų134.788%0.87973%0.731SS**  69.594.276.4-76.4-172.6173.9-118.24.8116.1
1131Q31.2Very low31.8Very low185 Ų185137.5 Ų137.586%0.86475%0.746SS**  trans173.7140.4142.9-97157.9106.200106.1
1132S28.2Very low31.2Very low85 Ų85142 Ų14259%0.59476%0.763SS**  cis-145.5162.5-7.157.20000106.4
1133F28.9Very low31Very low199 Ų199143.7 Ų143.787%0.87377%0.767SS**  cis-143.1160.748.3-73.3-91.4000114.1
1134S27.9Very low31Very low119 Ų119145.4 Ų145.483%0.83277%0.771SS**  trans-66.3170.1163.9-44.10000111.3
1135A28.6Very low30.9Very low102 Ų102148.7 Ų148.784%0.84378%0.781SS**  cis-145.31601000000111.6
1136G29.9Very low30.8Very low74 Ų74147.6 Ų147.676%0.76379%0.785SS**  trans171.246.8-17800000113.5
1137V31.9Very low30.8Very low125 Ų125144.3 Ų144.376%0.75879%0.787SS**  trans-28.5138.4-179-91.30000118.7
1138N28Very low31.1Very low144 Ų144146.4 Ų146.477%0.7780%0.797SS**  trans74.1149.8155.5-48.4-15.2000116.4
1139E31.3Very low31.2Very low187 Ų187147.7 Ų147.787%0.87480%0.8SS**  cis-115.5-177.24.8-72.3176.4118.300113.1
1140I34.7Very low31.2Very low147 Ų147148.1 Ų148.175%0.75480%0.803SS**  trans-129.2152.2180-57.8173.1000107.4
1141D28.2Very low31.9Very low150 Ų150144.4 Ų144.480%0.80280%0.795SS**  trans68143.4-173.7-53.1-49.2000112.4
1142E33.6Very low32.9Very low169 Ų169140.3 Ų140.379%0.7979%0.785SS**  cis-138.6156.630.8-69.9-173.1115.200115.5
1143L34.7Very low34.4Very low131 Ų131143.5 Ų143.569%0.68679%0.793SS**  trans41.4109.4136.2-58170.1000122
1144H33.6Very low36.3Very low170 Ų170136.1 Ų136.179%0.78776%0.763SS**  29.1140.7125.4-57.3131.8000123.1
1145N30Very low38.7Very low164 Ų164130.9 Ų130.988%0.87773%0.726SS**  trans71.179.3151.2-78.4-10.1000119.6
1146S33Very low40.9Very low116 Ų116131.1 Ų131.181%0.81172%0.717SS**SBendtrans-154.7126.5139610000112.4
1147G29.8Very low43.2Very low78 Ų78128.9 Ų128.980%0.80469%0.689SS**  trans30.593.1161.500000119.2D1149G1147-D1149 PolarHBondContact O-N 3.38Å
1148L34.7Very low45.6Very low165 Ų165123.5 Ų123.586%0.86466%0.656SS**  trans-85104.8159-74.2176.4000109.8Y1150L1148-Y1150 PolarHBondContact O-N 3.27Å
1149D34.9Very low48.2Very low136 Ų136119.6 Ų119.673%0.72764%0.64SS**  trans-62.1128.1163.3-77.7-52000109.7G1147 H1151G1147-D1149 PolarHBondContact O-N 3.38Å; D1149-H1151 PolarHBondContact O-N 2.86Å
1150Y32.9Very low50.7Low232 Ų232114.3 Ų114.391%0.9162%0.624SS**  trans-75.370.6-176.1-104-93.7000111.6L1148L1148-Y1150 PolarHBondContact O-N 3.27Å
1151H43.1Very low53.3Low154 Ų154109 Ų10971%0.71360%0.595SS**  trans-63130.7165.3-71.1-70.6000109.8D1149 I1153D1149-H1151 PolarHBondContact O-N 2.86Å; H1151-I1153 PolarHBondContact O-N 3.08Å; H1151-I1153 VanDerWaalsContact O-N 3.15Å
1152P52.7Low56.3Low100 Ų100103.4 Ų103.465%0.64957%0.568SS**  trans-65.5117.5176.726.6-33.1000109.4I1154P1152-I1154 PolarHBondContact O-N 3.42Å
1153I60Low59.2Low151 Ų15195.3 Ų95.377%0.77453%0.53SS*.  trans-68.1104.8178.5-58.9175.8000108.1H1151H1151-I1153 PolarHBondContact O-N 3.08Å; H1151-I1153 VanDerWaalsContact O-N 3.15Å
1154I69.5Low62Low44 Ų4489.1 Ų89.123%0.22650%0.498CS..  trans-66.6127.2174.1-57176.6000107.6P1152 I1158 P1273 T1274 L1277P1152-I1154 PolarHBondContact O-N 3.42Å; I1154-I1158 HydrophobicContact CG2-CB 3.94Å; I1154-I1158 HydrophobicContact CG2-CG2 3.82Å; I1154-P1273 HydrophobicContact CD1-CB 4.42Å; I1154-P1273 HydrophobicContact CG2-CB 4.37Å; I1154-T1274 WeakPolarHBondContact CD1-OG1 3.28Å; I1154-L1277 HydrophobicContact CB-CD1 4.43Å; I1154-L1277 HydrophobicContact CG1-CD1 4.38Å; I1154-L1277 HydrophobicContact CG2-CD1 4.12Å
1155P76.6Confident64.9Low10 Ų1081.8 Ų81.87%0.06546%0.464CS..  trans-53.8140.3175.5-26.835.1000111.7V1121 S1157 I1158 S1159V1121-P1155 HydrophobicContact CG2-CB 4.26Å; V1121-P1155 HydrophobicContact CG2-CG 3.91Å; P1155-S1157 PolarHBondContact O-N 3.43Å; P1155-S1157 VanDerWaalsContact O-N 3.16Å; P1155-I1158 HydrophobicContact CB-CD1 4.39Å; P1155-I1158 HydrophobicContact CB-CG1 4.47Å; P1155-I1158 HydrophobicContact CG-CD1 4.11Å; P1155-I1158 PolarHBondContact O-N 3.03Å; P1155-S1159 PolarHBondContact O-N 2.92Å
1156V74.8Confident67.9Low107 Ų10774 Ų7465%0.64842%0.422SS*.Hα-helixtrans-55-41.4-174.9179.70000111I1158 S1159 S1160V1156-I1158 VanDerWaalsContact C-N 3.28Å; V1156-I1158 PolarHBondContact O-N 3.3Å; V1156-S1159 WeakPolarHBondContact CA-OG 3.27Å; V1156-S1159 PolarHBondContact O-N 3.46Å; V1156-S1159 VanDerWaalsContact O-N 3.11Å; V1156-S1159 PolarHBondContact O-OG 3.07Å; V1156-S1160 WeakPolarHBondContact O-CB 3.46Å; V1156-S1160 PolarHBondContact O-N 3.44Å; V1156-S1160 PolarHBondContact O-OG 3.22Å
1157S79Confident70.6Confident27 Ų2771.1 Ų71.119%0.18940%0.396CS..Hα-helixtrans-60.4-24.9176.151.80000115.6P1155 S1160P1155-S1157 PolarHBondContact O-N 3.43Å; P1155-S1157 VanDerWaalsContact O-N 3.16Å; S1157-S1160 PolarHBondContact O-OG 2.97Å
1158I82.2Confident73.4Confident11 Ų1172.5 Ų72.56%0.05639%0.385CS..Hα-helixtrans-89.3-36.5172.8-64.5174.2000110.2M1117 I1154 P1155 V1156 W1163 P1273 L1277 L1280M1117-I1158 HydrophobicContact CE-CD1 4.33Å; M1117-I1158 HydrophobicContact CE-CG1 4.05Å; I1154-I1158 HydrophobicContact CG2-CB 3.94Å; I1154-I1158 HydrophobicContact CG2-CG2 3.82Å; P1155-I1158 HydrophobicContact CB-CD1 4.39Å; P1155-I1158 HydrophobicContact CB-CG1 4.47Å; P1155-I1158 HydrophobicContact CG-CD1 4.11Å; P1155-I1158 PolarHBondContact O-N 3.03Å; V1156-I1158 VanDerWaalsContact C-N 3.28Å; V1156-I1158 PolarHBondContact O-N 3.3Å; I1158-W1163 HydrophobicContact CB-CZ2 4.34Å; I1158-W1163 HydrophobicContact CG1-CZ2 4.31Å; I1158-W1163 HydrophobicContact CG2-CZ2 3.97Å; I1158-W1163 PolarHBondContact O-NE1 3.21Å; I1158-P1273 HydrophobicContact CG2-CB 4.23Å; I1158-L1277 HydrophobicContact CD1-CD1 4.29Å; I1158-L1277 HydrophobicContact CG2-CB 4.46Å; I1158-L1280 HydrophobicContact CD1-CD1 3.72Å; I1158-L1280 HydrophobicContact CG1-CD1 4.17Å
1159S83.3Confident75.9Confident63 Ų6365.1 Ų65.144%0.44135%0.347SS..Hα-helixtrans-72.4-25.6179.375.10000114.6P1155 V1156P1155-S1159 PolarHBondContact O-N 2.92Å; V1156-S1159 WeakPolarHBondContact CA-OG 3.27Å; V1156-S1159 PolarHBondContact O-N 3.46Å; V1156-S1159 VanDerWaalsContact O-N 3.11Å; V1156-S1159 PolarHBondContact O-OG 3.07Å
1160S83.4Confident78.2Confident75 Ų7560 Ų6052%0.52432%0.32SS..THydrogen-bonded Turntrans-81.3-17.6179.759.20000113.5V1156 S1157V1156-S1160 WeakPolarHBondContact O-CB 3.46Å; V1156-S1160 PolarHBondContact O-N 3.44Å; V1156-S1160 PolarHBondContact O-OG 3.22Å; S1157-S1160 PolarHBondContact O-OG 2.97Å
1161K89.4Confident80.5Confident35 Ų3552.8 Ų52.815%0.15230%0.302CS..SBendtrans-96.3150.5178.1-71.3173.9-177.2157.80111.2W1163 E1219 L1233 N1234K1161-W1163 HydrophobicContact CB-CZ2 4.21Å; K1161-W1163 HydrophobicContact CD-CZ2 4.31Å; K1161-W1163 VanDerWaalsContact O-CD1 3.24Å; K1161-W1163 PolarHBondContact O-NE1 3.27Å; K1161-E1219 WeakPolarHBondContact CD-OE1 3.4Å; K1161-E1219 WeakPolarHBondContact CE-OE1 3.48Å; K1161-E1219 IonicContact NZ-OE1 3.98Å; K1161-E1219 PolarHBondContact NZ-OE1 2.92Å; K1161-E1219 IonicContact NZ-OE2 2.78Å; K1161-E1219 PolarHBondContact NZ-OE2 3.04Å; K1161-L1233 WeakPolarHBondContact CA-O 3.35Å; K1161-N1234 WeakPolarHBondContact CE-OD1 3.25Å
1162S90.9Very high82.4Confident33 Ų3351 Ų5123%0.23129%0.294CS..EExtended strand (participates in β ladder)trans-105.4138172.2-57.50000109.1L1233S1162-L1233 PolarHBondContact N-O 3.08Å; S1162-L1233 PolarHBondContact O-N 2.87Å
1163W94Very high83.9Confident0 Ų046.6 Ų46.60%027%0.265CS..EExtended strand (participates in β ladder)trans-121.3131.3-158.1-67.392.8000113.5I1158 K1161 E1219 L1230 L1231 G1232 L1270 I1271 A1276 L1280I1158-W1163 HydrophobicContact CB-CZ2 4.34Å; I1158-W1163 HydrophobicContact CG1-CZ2 4.31Å; I1158-W1163 HydrophobicContact CG2-CZ2 3.97Å; I1158-W1163 PolarHBondContact O-NE1 3.21Å; K1161-W1163 HydrophobicContact CB-CZ2 4.21Å; K1161-W1163 HydrophobicContact CD-CZ2 4.31Å; K1161-W1163 VanDerWaalsContact O-CD1 3.24Å; K1161-W1163 PolarHBondContact O-NE1 3.27Å; W1163-E1219 HydrophobicContact CH2-CG 4.34Å; W1163-E1219 WeakPolarHBondContact CH2-OE1 3.45Å; W1163-E1219 HydrophobicContact CZ3-CG 4.39Å; W1163-L1230 HydrophobicContact CB-CD1 4.39Å; W1163-L1230 HydrophobicContact CD2-CD1 4.4Å; W1163-L1230 HydrophobicContact CE3-CD1 3.58Å; W1163-L1230 HydrophobicContact CE3-CD2 3.95Å; W1163-L1230 HydrophobicContact CE3-CG 3.62Å; W1163-L1230 HydrophobicContact CZ3-CD1 4.23Å; W1163-L1230 HydrophobicContact CZ3-CD2 3.8Å; W1163-L1230 HydrophobicContact CZ3-CG 3.75Å; W1163-L1231 WeakPolarHBondContact CA-O 3.07Å; W1163-G1232 VanDerWaalsContact CE3-CA 3.46Å; W1163-L1270 WeakPolarHBondContact O-CD1 3.33Å; W1163-I1271 HydrophobicContact CB-CD1 4.38Å; W1163-I1271 HydrophobicContact CB-CG1 3.69Å; W1163-I1271 PolarHBondContact O-N 2.85Å; W1163-A1276 HydrophobicContact CB-CB 3.94Å; W1163-A1276 HydrophobicContact CD2-CB 3.43Å; W1163-A1276 VanDerWaalsContact CD2-CB 3.43Å; W1163-A1276 HydrophobicContact CE3-CB 3.91Å; W1163-A1276 HydrophobicContact CG-CB 3.45Å; W1163-A1276 VanDerWaalsContact CG-CB 3.45Å; W1163-A1276 HydrophobicContact CZ2-CB 4.45Å; W1163-L1280 HydrophobicContact CH2-CD1 3.94Å; W1163-L1280 HydrophobicContact CZ2-CD1 4.36Å
1164L94.8Very high85.2Confident0 Ų039.8 Ų39.80%023%0.231CC..EExtended strand (participates in β ladder)trans-114.5133.7173.5-65.7177.6000110.9L1231 L1233 V1239 V1242 H1243 I1268 K1269 L1270L1164-L1231 HydrophobicContact CB-CB 4.21Å; L1164-L1231 HydrophobicContact CB-CD1 4.29Å; L1164-L1231 PolarHBondContact N-O 3.33Å; L1164-L1231 PolarHBondContact O-N 3.26Å; L1164-L1233 HydrophobicContact CD1-CD1 4Å; L1164-L1233 HydrophobicContact CG-CD1 4.46Å; L1164-V1239 HydrophobicContact CD1-CG1 4.27Å; L1164-V1239 HydrophobicContact CD2-CG1 3.67Å; L1164-V1239 HydrophobicContact CG-CG1 4Å; L1164-V1242 HydrophobicContact CD1-CB 4.15Å; L1164-V1242 HydrophobicContact CD1-CG1 3.76Å; L1164-H1243 HydrophobicContact CD1-CB 4.42Å; L1164-I1268 HydrophobicContact CB-CG2 4.45Å; L1164-I1268 HydrophobicContact CD1-CG2 4.38Å; L1164-I1268 HydrophobicContact CD2-CG2 4.16Å; L1164-K1269 WeakPolarHBondContact CA-O 3.41Å; L1164-L1270 HydrophobicContact CD2-CB 4.2Å; L1164-L1270 HydrophobicContact CD2-CD1 4.23Å
1165L94.4Very high85.9Confident16 Ų1639.6 Ų39.68%0.08423%0.232CC..EExtended strand (participates in β ladder)trans-104.2103.1170.5-179.366.4000109.7H1167 W1228 K1269 I1271L1165-H1167 HydrophobicContact CG-CB 4.4Å; L1165-H1167 PolarHBondContact O-ND1 3.04Å; L1165-W1228 HydrophobicContact CD1-CB 4.15Å; L1165-W1228 HydrophobicContact CD1-CD2 3.97Å; L1165-W1228 HydrophobicContact CD1-CE3 3.58Å; L1165-W1228 HydrophobicContact CD1-CG 4.26Å; L1165-W1228 HydrophobicContact CD1-CZ3 4.28Å; L1165-K1269 PolarHBondContact N-O 3.33Å; L1165-K1269 PolarHBondContact O-N 3.39Å; L1165-I1271 HydrophobicContact CB-CD1 4.3Å; L1165-I1271 HydrophobicContact CB-CG2 3.83Å; L1165-I1271 HydrophobicContact CD2-CG2 4.49Å
1166A92.2Very high86.5Confident0 Ų041 Ų410%025%0.248CC..EExtended strand (participates in β ladder)trans-80.8119.9166.100000108.5I1169 W1228 V1229 I1268A1166-I1169 HydrophobicContact CB-CD1 4.11Å; A1166-I1169 HydrophobicContact CB-CG1 4.29Å; A1166-W1228 CarbonylContact O-C 3.56Å; A1166-W1228 WeakPolarHBondContact O-CA 3.43Å; A1166-W1228 WeakPolarHBondContact O-CB 3.3Å; A1166-V1229 PolarHBondContact N-O 3.08Å; A1166-V1229 PolarHBondContact O-N 3.16Å; A1166-I1268 HydrophobicContact CB-CD1 3.67Å
1167H90.4Very high87.1Confident56 Ų5638 Ų3826%0.25923%0.227SC..EExtended strand (participates in β ladder)trans-134.9167.9-177.764.1-72.3000111.4L1165 I1169 W1228 G1266 S1267L1165-H1167 HydrophobicContact CG-CB 4.4Å; L1165-H1167 PolarHBondContact O-ND1 3.04Å; H1167-I1169 PolarHBondContact O-N 3.15Å; H1167-I1169 VanDerWaalsContact O-N 3.16Å; H1167-W1228 HydrophobicContact CB-CB 3.87Å; H1167-G1266 CarbonylContact O-C 3.44Å; H1167-G1266 WeakPolarHBondContact O-CA 3.46Å; H1167-S1267 WeakPolarHBondContact CE1-CB 3.33Å; H1167-S1267 PolarHBondContact CE1-O 3.36Å; H1167-S1267 PolarHBondContact N-O 3.33Å; H1167-S1267 PolarHBondContact ND1-O 3.05Å; H1167-S1267 WeakPolarHBondContact NE2-CB 3.29Å; H1167-S1267 PolarHBondContact O-N 3.25Å
1168N87.4Confident87.6Confident107 Ų10736.7 Ų36.757%0.57222%0.218SC*.SBendtrans57.920.7-169.6-55.6-43.1000114.1P1170 R1227 S1267N1168-P1170 WeakPolarHBondContact O-CD 3.37Å; N1168-P1170 VanDerWaalsContact O-N 3.15Å; N1168-R1227 PolarHBondContact N-O 3.17Å; N1168-S1267 PolarHBondContact ND2-OG 3.48Å
1169I87.3Confident88Confident11 Ų1140.8 Ų40.86%0.05624%0.236CC..  trans-52.5119.9-171.8-60.2166.9000109.2A1166 H1167 I1173 L1178 R1227 V1229A1166-I1169 HydrophobicContact CB-CD1 4.11Å; A1166-I1169 HydrophobicContact CB-CG1 4.29Å; H1167-I1169 PolarHBondContact O-N 3.15Å; H1167-I1169 VanDerWaalsContact O-N 3.16Å; I1169-I1173 HydrophobicContact CG2-CB 3.89Å; I1169-I1173 HydrophobicContact CG2-CG2 3.97Å; I1169-L1178 HydrophobicContact CD1-CD1 4.06Å; I1169-L1178 HydrophobicContact CG2-CD1 4.43Å; I1169-R1227 PolarHBondContact N-O 3.49Å; I1169-R1227 VanDerWaalsContact O-CZ 3.26Å; I1169-R1227 PolarHBondContact O-NE 3.4Å; I1169-R1227 PolarHBondContact O-NH2 2.94Å; I1169-V1229 HydrophobicContact CD1-CB 3.78Å; I1169-V1229 HydrophobicContact CD1-CG2 3.43Å; I1169-V1229 VanDerWaalsContact CD1-CG2 3.43Å
1170P84.5Confident88.2Confident27 Ų2743 Ų4318%0.17524%0.24CC..  trans-53.2149.9-177.9-29.134.1000112.9N1168 H1172 I1173N1168-P1170 WeakPolarHBondContact O-CD 3.37Å; N1168-P1170 VanDerWaalsContact O-N 3.15Å; P1170-H1172 WeakPolarHBondContact CB-CE1 3.48Å; P1170-H1172 PolarHBondContact O-N 2.88Å; P1170-H1172 VanDerWaalsContact O-N 3.11Å; P1170-I1173 HydrophobicContact CB-CD1 4.39Å; P1170-I1173 HydrophobicContact CB-CG1 4.34Å; P1170-I1173 HydrophobicContact CG-CD1 4.14Å; P1170-I1173 PolarHBondContact O-N 3.49Å; P1170-I1173 VanDerWaalsContact O-N 3.16Å
1171P81Confident88.5Confident82 Ų8240.8 Ų40.853%0.53222%0.224SC..THydrogen-bonded Turntrans-58.1-31.5-178.4-23.234.1000112.6W1042 I1173W1042-P1171 WeakPolarHBondContact CH2-O 3.31Å; W1042-P1171 WeakPolarHBondContact CZ2-O 3.29Å; W1042-P1171 WeakPolarHBondContact CZ3-O 3.48Å; W1042-P1171 PolarHBondContact NE1-O 3.27Å; P1171-I1173 PolarHBondContact O-N 3.34Å
1172H82.9Confident88.6Confident117 Ų11739.2 Ų39.254%0.54222%0.217SC..THydrogen-bonded Turntrans-76.46.2-176.863.6-105.5000115W1042 P1170W1042-H1172 VanDerWaalsContact CH2-C 3.47Å; W1042-H1172 VanDerWaalsContact CH2-CA 3.44Å; P1170-H1172 WeakPolarHBondContact CB-CE1 3.48Å; P1170-H1172 PolarHBondContact O-N 2.88Å; P1170-H1172 VanDerWaalsContact O-N 3.11Å
1173I84.3Confident88.6Confident6 Ų639.7 Ų39.73%0.03122%0.221CC..  trans-113.2125-176.5-60.4-170.3000110.5W1042 I1169 P1170 P1171 M1177 L1178 C1264 Y1265W1042-I1173 PolarHBondContact NE1-O 2.91Å; I1169-I1173 HydrophobicContact CG2-CB 3.89Å; I1169-I1173 HydrophobicContact CG2-CG2 3.97Å; P1170-I1173 HydrophobicContact CB-CD1 4.39Å; P1170-I1173 HydrophobicContact CB-CG1 4.34Å; P1170-I1173 HydrophobicContact CG-CD1 4.14Å; P1170-I1173 PolarHBondContact O-N 3.49Å; P1170-I1173 VanDerWaalsContact O-N 3.16Å; P1171-I1173 PolarHBondContact O-N 3.34Å; I1173-M1177 HydrophobicContact CG1-CE 4.23Å; I1173-M1177 HydrophobicContact CG2-CB 4.43Å; I1173-M1177 HydrophobicContact CG2-CE 4.49Å; I1173-L1178 HydrophobicContact CG2-CD1 4.27Å; I1173-L1178 HydrophobicContact CG2-CG 4.01Å; I1173-C1264 WeakPolarHBondContact CD1-O 3.45Å; I1173-Y1265 HydrophobicContact CD1-CD1 3.91Å; I1173-Y1265 HydrophobicContact CD1-CE1 4.36Å; I1173-Y1265 HydrophobicContact CD1-CG 4.39Å; I1173-Y1265 HydrophobicContact CG2-CD1 3.84Å; I1173-Y1265 HydrophobicContact CG2-CE1 4.18Å
1174S86.4Confident88.3Confident9 Ų942.8 Ų42.86%0.06324%0.242CC..  trans-94.6158.6176.579.10000112.2G1176 M1177 L1178S1174-G1176 PolarHBondContact O-N 3.47Å; S1174-G1176 PolarHBondContact OG-N 3.09Å; S1174-M1177 WeakPolarHBondContact O-CB 3.39Å; S1174-M1177 PolarHBondContact O-N 3.3Å; S1174-M1177 VanDerWaalsContact O-N 3.13Å; S1174-M1177 PolarHBondContact OG-N 2.91Å; S1174-L1178 PolarHBondContact O-N 3.31Å
1175V85.6Confident88Confident40 Ų4043.2 Ų43.224%0.24225%0.245CC..Hα-helixtrans-60.8-28.6170-173.40000111K1179 I1220 P1222 M1224V1175-K1179 WeakPolarHBondContact O-CB 3.39Å; V1175-K1179 PolarHBondContact O-N 3.06Å; V1175-I1220 HydrophobicContact CG1-CG2 3.86Å; V1175-P1222 HydrophobicContact CG1-CB 4.35Å; V1175-P1222 HydrophobicContact CG1-CG 4.41Å; V1175-P1222 HydrophobicContact CG2-CB 3.77Å; V1175-P1222 HydrophobicContact CG2-CG 4.33Å; V1175-M1224 HydrophobicContact CG2-CE 4.21Å; V1175-M1224 HydrophobicContact CG2-SD 3.38Å; V1175-M1224 WeakPolarHBondContact CG2-SD 3.48Å
1176G88.8Confident87.8Confident40 Ų4042.5 Ų42.541%0.41224%0.242SC..Hα-helixtrans-64.3-45.3172.300000112.7S1174 K1179 M1180S1174-G1176 PolarHBondContact O-N 3.47Å; S1174-G1176 PolarHBondContact OG-N 3.09Å; G1176-K1179 PolarHBondContact O-N 3.31Å; G1176-M1180 WeakPolarHBondContact O-CG 3.2Å; G1176-M1180 PolarHBondContact O-N 3.01Å
1177M87.6Confident87.6Confident42 Ų4246.1 Ų46.121%0.20726%0.261CS..Hα-helixtrans-61.3-47.4174.1-70.3166.763.700111.3I1173 S1174 K1179 M1180 T1181I1173-M1177 HydrophobicContact CG1-CE 4.23Å; I1173-M1177 HydrophobicContact CG2-CB 4.43Å; I1173-M1177 HydrophobicContact CG2-CE 4.49Å; S1174-M1177 WeakPolarHBondContact O-CB 3.39Å; S1174-M1177 PolarHBondContact O-N 3.3Å; S1174-M1177 VanDerWaalsContact O-N 3.13Å; S1174-M1177 PolarHBondContact OG-N 2.91Å; M1177-K1179 VanDerWaalsContact C-N 3.34Å; M1177-K1179 PolarHBondContact O-N 3.28Å; M1177-M1180 PolarHBondContact O-N 3.1Å; M1177-T1181 PolarHBondContact O-N 3.43Å; M1177-T1181 PolarHBondContact O-OG1 3.04Å; M1177-T1181 VanDerWaalsContact O-OG1 3.09Å
1178L89.8Confident87.2Confident1 Ų147.6 Ų47.61%0.00527%0.271CS..Hα-helixtrans-56.5-47.1175.2-79.3162.5000111.5I1169 I1173 S1174 M1180 T1181 V1182 V1229 L1246 Y1265I1169-L1178 HydrophobicContact CD1-CD1 4.06Å; I1169-L1178 HydrophobicContact CG2-CD1 4.43Å; I1173-L1178 HydrophobicContact CG2-CD1 4.27Å; I1173-L1178 HydrophobicContact CG2-CG 4.01Å; S1174-L1178 PolarHBondContact O-N 3.31Å; L1178-M1180 PolarHBondContact O-N 2.78Å; L1178-T1181 PolarHBondContact O-N 3.35Å; L1178-V1182 WeakPolarHBondContact O-CB 3.39Å; L1178-V1182 VanDerWaalsContact O-CG2 3.27Å; L1178-V1182 WeakPolarHBondContact O-CG2 3.44Å; L1178-V1182 PolarHBondContact O-N 3.35Å; L1178-V1229 HydrophobicContact CD1-CB 4.47Å; L1178-V1229 HydrophobicContact CD1-CG2 4.04Å; L1178-L1246 HydrophobicContact CD2-CD2 4.04Å; L1178-Y1265 HydrophobicContact CD2-CD1 3.49Å; L1178-Y1265 VanDerWaalsContact CD2-CD1 3.49Å; L1178-Y1265 HydrophobicContact CD2-CE1 4.37Å; L1178-Y1265 HydrophobicContact CD2-CG 4.02Å; L1178-Y1265 HydrophobicContact CG-CD1 4.07Å
1179K90.4Very high87Confident96 Ų9645.6 Ų45.642%0.41726%0.258SS..Hα-helixtrans-61.1-45.1178-172.8168-176174.20112V1175 G1176 M1177 V1182 S1183 F1218 I1220V1175-K1179 WeakPolarHBondContact O-CB 3.39Å; V1175-K1179 PolarHBondContact O-N 3.06Å; G1176-K1179 PolarHBondContact O-N 3.31Å; M1177-K1179 VanDerWaalsContact C-N 3.34Å; M1177-K1179 PolarHBondContact O-N 3.28Å; K1179-V1182 PolarHBondContact O-N 2.95Å; K1179-S1183 WeakPolarHBondContact O-CB 3.45Å; K1179-S1183 PolarHBondContact O-N 3.31Å; K1179-S1183 PolarHBondContact O-OG 3.46Å; K1179-F1218 HydrophobicContact CG-CE2 4Å; K1179-F1218 HydrophobicContact CG-CZ 3.93Å; K1179-I1220 HydrophobicContact CB-CD1 3.97Å; K1179-I1220 HydrophobicContact CG-CD1 4.28Å
1180M87.4Confident86.6Confident110 Ų11048.1 Ų48.154%0.54227%0.271SS..Hα-helixtrans-63.4-44177.2-70.2-175-60.600112G1176 M1177 L1178 S1183 S1184G1176-M1180 WeakPolarHBondContact O-CG 3.2Å; G1176-M1180 PolarHBondContact O-N 3.01Å; M1177-M1180 PolarHBondContact O-N 3.1Å; L1178-M1180 PolarHBondContact O-N 2.78Å; M1180-S1183 PolarHBondContact O-N 3.47Å; M1180-S1184 WeakPolarHBondContact O-CB 3.25Å; M1180-S1184 PolarHBondContact O-N 3.39Å; M1180-S1184 PolarHBondContact O-OG 2.9Å
1181T89.5Confident86.3Confident28 Ų2851.7 Ų51.717%0.17229%0.288CS..Hα-helixtrans-65.3-40.9178.7-59.30000112.2M1177 L1178 S1184 A1185 T1245 L1246 Y1265M1177-T1181 PolarHBondContact O-N 3.43Å; M1177-T1181 PolarHBondContact O-OG1 3.04Å; M1177-T1181 VanDerWaalsContact O-OG1 3.09Å; L1178-T1181 PolarHBondContact O-N 3.35Å; T1181-S1184 PolarHBondContact O-N 3.15Å; T1181-A1185 VanDerWaalsContact O-CB 3.31Å; T1181-A1185 WeakPolarHBondContact O-CB 3.44Å; T1181-A1185 PolarHBondContact O-N 3.47Å; T1181-T1245 HydrophobicContact CG2-CG2 3.87Å; T1181-L1246 HydrophobicContact CG2-CD2 3.8Å; T1181-Y1265 HydrophobicContact CG2-CE2 3.83Å; T1181-Y1265 PolarHBondContact OG1-OH 3.03Å
1182V91.3Very high86Confident2 Ų255.5 Ų55.51%0.01229%0.292CS..Hα-helixtrans-62.8-48.2173.1173.30000110.9L1178 K1179 S1184 A1185 L1186 F1218 L1231 V1242 L1246L1178-V1182 WeakPolarHBondContact O-CB 3.39Å; L1178-V1182 VanDerWaalsContact O-CG2 3.27Å; L1178-V1182 WeakPolarHBondContact O-CG2 3.44Å; L1178-V1182 PolarHBondContact O-N 3.35Å; K1179-V1182 PolarHBondContact O-N 2.95Å; V1182-S1184 PolarHBondContact O-N 3.42Å; V1182-A1185 PolarHBondContact O-N 3.03Å; V1182-L1186 HydrophobicContact CG1-CD1 4.01Å; V1182-L1186 WeakPolarHBondContact O-CG 3.48Å; V1182-L1186 PolarHBondContact O-N 3.33Å; V1182-L1186 VanDerWaalsContact O-N 3.09Å; V1182-F1218 HydrophobicContact CB-CE2 4.21Å; V1182-F1218 HydrophobicContact CB-CZ 4.18Å; V1182-F1218 HydrophobicContact CG1-CD1 4Å; V1182-F1218 HydrophobicContact CG1-CD2 3.81Å; V1182-F1218 HydrophobicContact CG1-CE1 3.92Å; V1182-F1218 HydrophobicContact CG1-CE2 3.75Å; V1182-F1218 HydrophobicContact CG1-CG 3.94Å; V1182-F1218 HydrophobicContact CG1-CZ 3.78Å; V1182-L1231 HydrophobicContact CG2-CD1 4.33Å; V1182-V1242 HydrophobicContact CG1-CG2 4.07Å; V1182-V1242 HydrophobicContact CG2-CG1 3.91Å; V1182-L1246 HydrophobicContact CG2-CD1 4.14Å
1183S91.1Very high85.2Confident44 Ų4452.5 Ų52.531%0.30828%0.284SS..Hα-helixtrans-56.4-47.2175.9-71.90000112.3K1179 M1180 L1186 N1187 F1218K1179-S1183 WeakPolarHBondContact O-CB 3.45Å; K1179-S1183 PolarHBondContact O-N 3.31Å; K1179-S1183 PolarHBondContact O-OG 3.46Å; M1180-S1183 PolarHBondContact O-N 3.47Å; S1183-L1186 PolarHBondContact O-N 3.08Å; S1183-N1187 VanDerWaalsContact O-CB 3.28Å; S1183-N1187 WeakPolarHBondContact O-CB 3.37Å; S1183-N1187 PolarHBondContact O-N 3.34Å; S1183-F1218 WeakPolarHBondContact OG-CZ 3.34Å
1184S87.4Confident84.1Confident65 Ų6554.2 Ų54.246%0.45530%0.303SS..Hα-helixtrans-68.2-37.1179.5-68.80000112.7M1180 T1181 V1182 L1186 N1188M1180-S1184 WeakPolarHBondContact O-CB 3.25Å; M1180-S1184 PolarHBondContact O-N 3.39Å; M1180-S1184 PolarHBondContact O-OG 2.9Å; T1181-S1184 PolarHBondContact O-N 3.15Å; V1182-S1184 PolarHBondContact O-N 3.42Å; S1184-L1186 PolarHBondContact O-N 3.49Å; S1184-N1188 WeakPolarHBondContact O-CB 3.33Å; S1184-N1188 PolarHBondContact O-N 2.92Å; S1184-N1188 PolarHBondContact O-ND2 3.24Å; S1184-N1188 VanDerWaalsContact O-ND2 3.07Å
1185A88.6Confident82.4Confident8 Ų861.9 Ų61.97%0.06634%0.338CS..Hα-helixtrans-59-47.1174.500000111.5T1181 V1182 H1189 I1241 V1242 T1245T1181-A1185 VanDerWaalsContact O-CB 3.31Å; T1181-A1185 WeakPolarHBondContact O-CB 3.44Å; T1181-A1185 PolarHBondContact O-N 3.47Å; V1182-A1185 PolarHBondContact O-N 3.03Å; A1185-H1189 PolarHBondContact O-N 3.49Å; A1185-H1189 VanDerWaalsContact O-N 3.16Å; A1185-I1241 HydrophobicContact CB-CG2 4.22Å; A1185-I1241 WeakPolarHBondContact O-CG2 3.46Å; A1185-V1242 HydrophobicContact CB-CG2 4.38Å; A1185-T1245 HydrophobicContact CB-CG2 3.98Å
1186L90.6Very high80.6Confident2 Ų264.5 Ų64.51%0.0136%0.358CS..Hα-helixtrans-70.7-42.4-180-61.8176.5000112.2V1182 S1183 S1184 H1189 I1190 I1216 F1218 L1233 H1238 V1242V1182-L1186 HydrophobicContact CG1-CD1 4.01Å; V1182-L1186 WeakPolarHBondContact O-CG 3.48Å; V1182-L1186 PolarHBondContact O-N 3.33Å; V1182-L1186 VanDerWaalsContact O-N 3.09Å; S1183-L1186 PolarHBondContact O-N 3.08Å; S1184-L1186 PolarHBondContact O-N 3.49Å; L1186-H1189 PolarHBondContact O-N 3.02Å; L1186-I1190 WeakPolarHBondContact O-CG1 3.41Å; L1186-I1190 PolarHBondContact O-N 2.86Å; L1186-I1216 HydrophobicContact CB-CG2 3.71Å; L1186-I1216 HydrophobicContact CD1-CG2 3.7Å; L1186-I1216 HydrophobicContact CG-CG2 4.36Å; L1186-F1218 HydrophobicContact CD1-CD1 3.76Å; L1186-F1218 HydrophobicContact CD1-CE1 4.28Å; L1186-F1218 HydrophobicContact CD1-CG 4.46Å; L1186-L1233 HydrophobicContact CD1-CD2 4.08Å; L1186-H1238 HydrophobicContact CD2-CB 3.55Å; L1186-V1242 HydrophobicContact CD2-CG2 3.78Å; L1186-V1242 HydrophobicContact CG-CG2 4.04Å
1187N86.8Confident78.6Confident75 Ų7566.9 Ų66.940%0.40137%0.369SS..Hα-helixtrans-63.4-43176.8-16943.2000112S1183 H1189 I1190 L1191 I1216S1183-N1187 VanDerWaalsContact O-CB 3.28Å; S1183-N1187 WeakPolarHBondContact O-CB 3.37Å; S1183-N1187 PolarHBondContact O-N 3.34Å; N1187-H1189 VanDerWaalsContact C-N 3.29Å; N1187-H1189 PolarHBondContact O-N 3.48Å; N1187-I1190 PolarHBondContact O-N 3.27Å; N1187-L1191 WeakPolarHBondContact O-CG 3.29Å; N1187-L1191 PolarHBondContact O-N 3.49Å; N1187-I1216 HydrophobicContact CB-CD1 4.38Å
1188N83.4Confident76.4Confident87 Ų8772.2 Ų72.247%0.46540%0.398SS..Hα-helixtrans-62.6-34175.3-76.9-31.4000112.7S1184 R1192S1184-N1188 WeakPolarHBondContact O-CB 3.33Å; S1184-N1188 PolarHBondContact O-N 2.92Å; S1184-N1188 PolarHBondContact O-ND2 3.24Å; S1184-N1188 VanDerWaalsContact O-ND2 3.07Å; N1188-R1192 WeakPolarHBondContact O-CB 3.27Å; N1188-R1192 VanDerWaalsContact O-CG 3.26Å; N1188-R1192 WeakPolarHBondContact O-CG 3.5Å; N1188-R1192 PolarHBondContact O-N 3.1Å; N1188-R1192 VanDerWaalsContact O-N 3.11Å
1189H82.8Confident73.9Confident66 Ų6683.1 Ų83.131%0.30644%0.439SS..Hα-helixtrans-69.1-43.4172.4174.6-96.6000112.2A1185 L1186 N1187 L1191 R1192 S1193 I1241A1185-H1189 PolarHBondContact O-N 3.49Å; A1185-H1189 VanDerWaalsContact O-N 3.16Å; L1186-H1189 PolarHBondContact O-N 3.02Å; N1187-H1189 VanDerWaalsContact C-N 3.29Å; N1187-H1189 PolarHBondContact O-N 3.48Å; H1189-L1191 PolarHBondContact O-N 3.43Å; H1189-R1192 PolarHBondContact O-N 2.77Å; H1189-S1193 WeakPolarHBondContact O-CB 3.31Å; H1189-S1193 PolarHBondContact O-N 3.01Å; H1189-S1193 PolarHBondContact O-OG 2.94Å; H1189-I1241 HydrophobicContact CB-CD1 3.75Å; H1189-I1241 HydrophobicContact CB-CG1 4.41Å; H1189-I1241 HydrophobicContact CB-CG2 4.15Å; H1189-I1241 WeakPolarHBondContact CD2-CD1 3.43Å
1190I79.4Confident71.3Confident64 Ų6486.3 Ų86.333%0.32846%0.461SS..Hα-helixtrans-58.3-49.3177.5-70.7163.4000110.1L1186 N1187 R1192 S1193 G1194 I1216L1186-I1190 WeakPolarHBondContact O-CG1 3.41Å; L1186-I1190 PolarHBondContact O-N 2.86Å; N1187-I1190 PolarHBondContact O-N 3.27Å; I1190-R1192 PolarHBondContact O-N 3.07Å; I1190-S1193 PolarHBondContact O-N 3.23Å; I1190-S1193 PolarHBondContact O-OG 3.41Å; I1190-G1194 PolarHBondContact O-N 3.35Å; I1190-I1216 HydrophobicContact CD1-CD1 3.63Å; I1190-I1216 HydrophobicContact CD1-CG1 3.68Å
1191L76.8Confident68.9Low101 Ų10186.9 Ų86.953%0.52948%0.475SS..Hα-helixtrans-56-51.4175.3-68.6170000112.2N1187 H1189 S1193 G1194 E1195N1187-L1191 WeakPolarHBondContact O-CG 3.29Å; N1187-L1191 PolarHBondContact O-N 3.49Å; H1189-L1191 PolarHBondContact O-N 3.43Å; L1191-S1193 VanDerWaalsContact C-N 3.28Å; L1191-S1193 PolarHBondContact O-N 3.36Å; L1191-G1194 PolarHBondContact O-N 2.97Å; L1191-E1195 PolarHBondContact O-N 3.28Å
1192R74.7Confident66.4Low162 Ų16290.3 Ų90.361%0.61150%0.5SS*.Hα-helixtrans-62.3-32178.5-76172.4174.6-100.21113.6N1188 H1189 I1190N1188-R1192 WeakPolarHBondContact O-CB 3.27Å; N1188-R1192 VanDerWaalsContact O-CG 3.26Å; N1188-R1192 WeakPolarHBondContact O-CG 3.5Å; N1188-R1192 PolarHBondContact O-N 3.1Å; N1188-R1192 VanDerWaalsContact O-N 3.11Å; H1189-R1192 PolarHBondContact O-N 2.77Å; I1190-R1192 PolarHBondContact O-N 3.07Å
1193S67.3Low63.8Low54 Ų5497.1 Ų97.138%0.37854%0.537SS..Hα-helixtrans-72.9-37.8176.271.20000111.9H1189 I1190 L1191 S1196H1189-S1193 WeakPolarHBondContact O-CB 3.31Å; H1189-S1193 PolarHBondContact O-N 3.01Å; H1189-S1193 PolarHBondContact O-OG 2.94Å; I1190-S1193 PolarHBondContact O-N 3.23Å; I1190-S1193 PolarHBondContact O-OG 3.41Å; L1191-S1193 VanDerWaalsContact C-N 3.28Å; L1191-S1193 PolarHBondContact O-N 3.36Å; S1193-S1196 PolarHBondContact O-N 3.08Å; S1193-S1196 PolarHBondContact O-OG 3.2Å
1194G60.6Low61Low43 Ų43102 Ų10244%0.44357%0.565SS.*Hα-helixtrans-60.7-49.5176.700000113.1I1190 L1191 S1196 S1197I1190-G1194 PolarHBondContact O-N 3.35Å; L1191-G1194 PolarHBondContact O-N 2.97Å; G1194-S1196 PolarHBondContact O-N 3.05Å; G1194-S1197 PolarHBondContact O-N 3.07Å
1195E51.4Low58.4Low170 Ų170103.1 Ų103.179%0.79458%0.579SS**THydrogen-bonded Turntrans-60.4-16.9-178.5-67.5-170.8120.600114.3L1191L1191-E1195 PolarHBondContact O-N 3.28Å
1196S46.8Very low55.5Low95 Ų95108.2 Ų108.266%0.66461%0.613SS**THydrogen-bonded Turntrans-80-12.4-174.973.90000115.3S1193 G1194S1193-S1196 PolarHBondContact O-N 3.08Å; S1193-S1196 PolarHBondContact O-OG 3.2Å; G1194-S1196 PolarHBondContact O-N 3.05Å
1197S47.5Very low52.9Low90 Ų90115.2 Ų115.263%0.62965%0.65SS**SBendtrans-92.1-29.5-165.2-61.90000115.9G1194 R1199G1194-S1197 PolarHBondContact O-N 3.07Å; S1197-R1199 PolarHBondContact O-N 2.79Å
1198D40.2Very low50.2Low153 Ų153118.2 Ų118.282%0.81867%0.666SS**SBendtrans-94.826.3-161-72.2-29.2000116.1
1199R37.8Very low47.8Very low230 Ų230119.3 Ų119.387%0.86868%0.68SS**SBendtrans-138.743.4-176.4-67.2-168.5-178.4167.85117.1S1197S1197-R1199 PolarHBondContact O-N 2.79Å
1200N36.4Very low45.2Very low163 Ų163123.4 Ų123.487%0.87270%0.704SS**SBendtrans170.597.3137.6-92.3-34.5000113.5
1201S37.3Very low43.1Very low122 Ų122123 Ų12385%0.85372%0.716SS**  177.5132.2126.352.10000110.6
1202S35.8Very low41.1Very low100 Ų100123.6 Ų123.670%0.69972%0.719SS**  trans-82.3150.2167.745.10000111.5
1203N36.4Very low39.4Very low146 Ų146123.5 Ų123.578%0.78173%0.731SS**  trans90119.4166.3-51.7-25.3000119.1
1204T32.8Very low38.1Very low145 Ų145126.6 Ų126.689%0.8974%0.744SS**  trans83.4149151-30000119.2
1205A32.9Very low37.7Very low90 Ų90129.8 Ų129.874%0.74475%0.75SS**  trans64.691.3179.400000115.8I1207A1205-I1207 PolarHBondContact O-N 2.84Å
1206S27.2Very low38.3Very low114 Ų114124.2 Ų124.280%0.79773%0.726SS**  trans-63.5113.1172.852.10000112.5
1207I37.4Very low39.5Very low150 Ų150124.3 Ų124.377%0.76972%0.719SS**  trans-91.6116.3158.2-62.5178.3000107A1205 S1209A1205-I1207 PolarHBondContact O-N 2.84Å; I1207-S1209 PolarHBondContact O-N 3.33Å
1208N28.9Very low41.5Very low138 Ų138121.8 Ų121.874%0.73870%0.696SS**  trans-72.594.4174.1-87.6-9000109.6N1210N1208-N1210 PolarHBondContact O-N 3.37Å
1209S32.8Very low43.9Very low110 Ų110116.4 Ų116.477%0.76967%0.666SS**  trans-72.642.1167-59.60000112.8I1207 G1211I1207-S1209 PolarHBondContact O-N 3.33Å; S1209-G1211 PolarHBondContact O-N 3.32Å
1210N29.4Very low46.5Very low151 Ų151107.1 Ų107.181%0.80763%0.634SS**  trans-7760.2158.1-84.7-5000108.4N1208N1208-N1210 PolarHBondContact O-N 3.37Å
1211G34.6Very low49.1Very low56 Ų56100 Ų10058%0.57760%0.595SS**  trans-96.6132.8169.900000109.2S1209 N1213S1209-G1211 PolarHBondContact O-N 3.32Å; G1211-N1213 PolarHBondContact O-N 3.46Å
1212N34.9Very low51.5Low113 Ų11395.9 Ų95.960%0.60457%0.565SS**  trans-66.4131.1-174.6-55.3-38.9000111.3N1214N1212-N1214 HydrophobicContact CB-CB 3.99Å; N1212-N1214 PolarHBondContact O-N 3.07Å
1213N38.6Very low53.9Low160 Ų16091.5 Ų91.586%0.85653%0.534SS*.THydrogen-bonded Turntrans-73.532.3168.7-73.8-16.2000112.8G1211G1211-N1213 PolarHBondContact O-N 3.46Å
1214N41Very low55.2Low120 Ų12088.5 Ų88.564%0.64252%0.517SS*.THydrogen-bonded Turntrans-114.1-28.4-164.7-65.3-8.4000114.1N1212 I1216N1212-N1214 HydrophobicContact CB-CB 3.99Å; N1212-N1214 PolarHBondContact O-N 3.07Å; N1214-I1216 PolarHBondContact O-N 2.96Å; N1214-I1216 VanDerWaalsContact O-N 3.15Å
1215D52.4Low57.2Low109 Ų10986.3 Ų86.358%0.58351%0.507SS*.  trans-97.250.5-158.9-55.1-9.7000112.6D1217D1215-D1217 PolarHBondContact O-N 3.15Å
1216I63.5Low59.2Low54 Ų5484.5 Ų84.528%0.27749%0.492SS..  trans-78.257.8165.4-46.3-174.8000109.2L1186 N1187 I1190 N1214 F1218L1186-I1216 HydrophobicContact CB-CG2 3.71Å; L1186-I1216 HydrophobicContact CD1-CG2 3.7Å; L1186-I1216 HydrophobicContact CG-CG2 4.36Å; N1187-I1216 HydrophobicContact CB-CD1 4.38Å; I1190-I1216 HydrophobicContact CD1-CD1 3.63Å; I1190-I1216 HydrophobicContact CD1-CG1 3.68Å; N1214-I1216 PolarHBondContact O-N 2.96Å; N1214-I1216 VanDerWaalsContact O-N 3.15Å; I1216-F1218 HydrophobicContact CG2-CD1 4.27Å; I1216-F1218 HydrophobicContact CG2-CE1 4.37Å; I1216-F1218 WeakPolarHBondContact O-CD1 3.32Å; I1216-F1218 PolarHBondContact O-N 3.33Å
1217D72.6Confident62Low97 Ų9784.8 Ų84.852%0.51948%0.475SS..  trans-81117.2-176.9-87.5-11.1000111.2D1215 N1234D1215-D1217 PolarHBondContact O-N 3.15Å; D1217-N1234 WeakPolarHBondContact CB-ND2 3.49Å
1218F89.2Confident64.5Low36 Ų3678.7 Ų78.716%0.15844%0.443CS..EExtended strand (participates in β ladder)trans-145.5150.3169.166.3-93.7000109.8K1179 V1182 S1183 L1186 I1216 I1220 G1232 L1233K1179-F1218 HydrophobicContact CG-CE2 4Å; K1179-F1218 HydrophobicContact CG-CZ 3.93Å; V1182-F1218 HydrophobicContact CB-CE2 4.21Å; V1182-F1218 HydrophobicContact CB-CZ 4.18Å; V1182-F1218 HydrophobicContact CG1-CD1 4Å; V1182-F1218 HydrophobicContact CG1-CD2 3.81Å; V1182-F1218 HydrophobicContact CG1-CE1 3.92Å; V1182-F1218 HydrophobicContact CG1-CE2 3.75Å; V1182-F1218 HydrophobicContact CG1-CG 3.94Å; V1182-F1218 HydrophobicContact CG1-CZ 3.78Å; S1183-F1218 WeakPolarHBondContact OG-CZ 3.34Å; L1186-F1218 HydrophobicContact CD1-CD1 3.76Å; L1186-F1218 HydrophobicContact CD1-CE1 4.28Å; L1186-F1218 HydrophobicContact CD1-CG 4.46Å; I1216-F1218 HydrophobicContact CG2-CD1 4.27Å; I1216-F1218 HydrophobicContact CG2-CE1 4.37Å; I1216-F1218 WeakPolarHBondContact O-CD1 3.32Å; I1216-F1218 PolarHBondContact O-N 3.33Å; F1218-I1220 HydrophobicContact CD2-CD1 4.21Å; F1218-I1220 HydrophobicContact CD2-CG1 3.91Å; F1218-I1220 HydrophobicContact CE2-CD1 3.74Å; F1218-I1220 HydrophobicContact CE2-CG1 3.91Å; F1218-G1232 WeakPolarHBondContact CA-O 3.38Å; F1218-L1233 HydrophobicContact CB-CD2 3.62Å; F1218-L1233 HydrophobicContact CG-CD2 4.45Å
1219E89.8Confident67.5Low40 Ų4072.2 Ų72.219%0.18741%0.408CS..EExtended strand (participates in β ladder)trans-115.4149.5178.566.2-162.9166.800112K1161 W1163 H1221 L1231 G1232K1161-E1219 WeakPolarHBondContact CD-OE1 3.4Å; K1161-E1219 WeakPolarHBondContact CE-OE1 3.48Å; K1161-E1219 IonicContact NZ-OE1 3.98Å; K1161-E1219 PolarHBondContact NZ-OE1 2.92Å; K1161-E1219 IonicContact NZ-OE2 2.78Å; K1161-E1219 PolarHBondContact NZ-OE2 3.04Å; W1163-E1219 HydrophobicContact CH2-CG 4.34Å; W1163-E1219 WeakPolarHBondContact CH2-OE1 3.45Å; W1163-E1219 HydrophobicContact CZ3-CG 4.39Å; E1219-H1221 WeakPolarHBondContact CG-NE2 3.46Å; E1219-H1221 IonicContact OE1-NE2 2.72Å; E1219-H1221 IonicContact OE2-NE2 2.7Å; E1219-L1231 WeakPolarHBondContact O-CA 3.44Å; E1219-G1232 PolarHBondContact N-O 2.96Å; E1219-G1232 PolarHBondContact O-N 3.31Å
1220I91.7Very high70.5Confident36 Ų3667 Ų6719%0.18537%0.372CS..EExtended strand (participates in β ladder)trans-130.6118.4-178.4-58.7-161000108.3V1175 K1179 F1218 P1222 V1229 L1231V1175-I1220 HydrophobicContact CG1-CG2 3.86Å; K1179-I1220 HydrophobicContact CB-CD1 3.97Å; K1179-I1220 HydrophobicContact CG-CD1 4.28Å; F1218-I1220 HydrophobicContact CD2-CD1 4.21Å; F1218-I1220 HydrophobicContact CD2-CG1 3.91Å; F1218-I1220 HydrophobicContact CE2-CD1 3.74Å; F1218-I1220 HydrophobicContact CE2-CG1 3.91Å; I1220-P1222 WeakPolarHBondContact O-CD 3.2Å; I1220-V1229 HydrophobicContact CG2-CG1 3.43Å; I1220-V1229 VanDerWaalsContact CG2-CG1 3.43Å; I1220-L1231 HydrophobicContact CB-CD2 4.26Å; I1220-L1231 HydrophobicContact CD1-CD2 3.7Å; I1220-L1231 HydrophobicContact CG1-CD2 3.61Å; I1220-L1231 HydrophobicContact CG2-CD2 4.06Å
1221H91.3Very high73.5Confident12 Ų1259.9 Ų59.96%0.05633%0.334CS..EExtended strand (participates in β ladder)trans-113.794.6175.7-55.6-96.6000108.9W1114 E1219 L1230 L1280 I1283W1114-H1221 AromaticContact CH2-ND1 3.52Å; W1114-H1221 AromaticContact CZ3-ND1 3.96Å; E1219-H1221 WeakPolarHBondContact CG-NE2 3.46Å; E1219-H1221 IonicContact OE1-NE2 2.72Å; E1219-H1221 IonicContact OE2-NE2 2.7Å; H1221-L1230 HydrophobicContact CB-CB 4.32Å; H1221-L1230 PolarHBondContact N-O 3.47Å; H1221-L1230 PolarHBondContact O-N 3.41Å; H1221-L1280 HydrophobicContact CB-CD2 4.13Å; H1221-I1283 HydrophobicContact CB-CD1 3.73Å
1222P89.2Confident76.4Confident36 Ų3657.2 Ų57.223%0.23431%0.306CS..EExtended strand (participates in β ladder)trans-85.9123.2-175.532.9-33.6000112.2V1175 I1220 M1224 V1229V1175-P1222 HydrophobicContact CG1-CB 4.35Å; V1175-P1222 HydrophobicContact CG1-CG 4.41Å; V1175-P1222 HydrophobicContact CG2-CB 3.77Å; V1175-P1222 HydrophobicContact CG2-CG 4.33Å; I1220-P1222 WeakPolarHBondContact O-CD 3.2Å; P1222-M1224 HydrophobicContact CB-CG 4.25Å; P1222-M1224 HydrophobicContact CB-SD 4.08Å; P1222-M1224 PolarHBondContact O-N 3.37Å; P1222-V1229 HydrophobicContact CB-CG2 3.94Å
1223N84.6Confident79.2Confident8 Ų851.9 Ų51.94%0.04328%0.278CS..EExtended strand (participates in β ladder)trans-95.778.3163.4-171.4-10.3000109.6S1225 A1226 R1227 W1228 E1282 I1283 L1286N1223-S1225 PolarHBondContact O-N 2.64Å; N1223-S1225 VanDerWaalsContact O-N 3.16Å; N1223-S1225 PolarHBondContact OD1-N 3.27Å; N1223-S1225 PolarHBondContact OD1-OG 3.13Å; N1223-A1226 PolarHBondContact O-N 3.07Å; N1223-A1226 VanDerWaalsContact O-N 3.09Å; N1223-A1226 PolarHBondContact OD1-N 2.8Å; N1223-R1227 PolarHBondContact O-N 3.08Å; N1223-W1228 CarbonylContact C-O 3.54Å; N1223-W1228 WeakPolarHBondContact CA-O 3.49Å; N1223-W1228 HydrophobicContact CB-CD2 3.66Å; N1223-W1228 VanDerWaalsContact CB-CE2 3.48Å; N1223-W1228 HydrophobicContact CB-CE3 3.88Å; N1223-W1228 HydrophobicContact CB-CG 4.31Å; N1223-W1228 HydrophobicContact CB-CH2 3.79Å; N1223-W1228 HydrophobicContact CB-CZ2 3.57Å; N1223-W1228 HydrophobicContact CB-CZ3 3.94Å; N1223-W1228 PolarHBondContact N-O 2.96Å; N1223-W1228 WeakPolarHBondContact ND2-CZ2 3.43Å; N1223-W1228 PolarHBondContact ND2-NE1 2.96Å; N1223-W1228 PolarHBondContact O-N 3.01Å; N1223-E1282 PolarHBondContact ND2-OE1 3.15Å; N1223-E1282 VanDerWaalsContact ND2-OE1 3.16Å; N1223-I1283 HydrophobicContact CB-CD1 4.44Å; N1223-I1283 HydrophobicContact CB-CG1 4.22Å; N1223-L1286 WeakPolarHBondContact ND2-CD1 3.38Å
1224M65Low81.4Confident84 Ų8448 Ų4841%0.41426%0.257SS..G310 helixtrans-57.8-29.7-179.4-63.1-56.6-70.200112.9V1175 P1222 A1226 R1227V1175-M1224 HydrophobicContact CG2-CE 4.21Å; V1175-M1224 HydrophobicContact CG2-SD 3.38Å; V1175-M1224 WeakPolarHBondContact CG2-SD 3.48Å; P1222-M1224 HydrophobicContact CB-CG 4.25Å; P1222-M1224 HydrophobicContact CB-SD 4.08Å; P1222-M1224 PolarHBondContact O-N 3.37Å; M1224-A1226 VanDerWaalsContact C-N 3.3Å; M1224-A1226 PolarHBondContact O-N 3.3Å; M1224-R1227 PolarHBondContact O-N 2.84Å
1225S73.6Confident83.4Confident99 Ų9943.8 Ų43.869%0.69224%0.237SC*.G310 helixtrans-67.4-29.9179.377.60000113.4N1223N1223-S1225 PolarHBondContact O-N 2.64Å; N1223-S1225 VanDerWaalsContact O-N 3.16Å; N1223-S1225 PolarHBondContact OD1-N 3.27Å; N1223-S1225 PolarHBondContact OD1-OG 3.13Å
1226A76Confident84.8Confident51 Ų5143 Ų4342%0.42124%0.237SC..G310 helixtrans-108.86.1-179.900000113.3N1223 M1224 W1228N1223-A1226 PolarHBondContact O-N 3.07Å; N1223-A1226 VanDerWaalsContact O-N 3.09Å; N1223-A1226 PolarHBondContact OD1-N 2.8Å; M1224-A1226 VanDerWaalsContact C-N 3.3Å; M1224-A1226 PolarHBondContact O-N 3.3Å; A1226-W1228 VanDerWaalsContact C-N 3.27Å; A1226-W1228 VanDerWaalsContact CB-CD1 3.42Å; A1226-W1228 HydrophobicContact CB-CG 4.47Å; A1226-W1228 PolarHBondContact O-N 3.13Å
1227R84.7Confident85.9Confident120 Ų12044.1 Ų44.145%0.45325%0.247SC..THydrogen-bonded Turntrans50.942.5-179.3-70.9174.853.7-153.6-12.8113.9N1168 I1169 N1223 M1224N1168-R1227 PolarHBondContact N-O 3.17Å; I1169-R1227 PolarHBondContact N-O 3.49Å; I1169-R1227 VanDerWaalsContact O-CZ 3.26Å; I1169-R1227 PolarHBondContact O-NE 3.4Å; I1169-R1227 PolarHBondContact O-NH2 2.94Å; N1223-R1227 PolarHBondContact O-N 3.08Å; M1224-R1227 PolarHBondContact O-N 2.84Å
1228W90.1Very high86.6Confident22 Ų2241.1 Ų41.18%0.08323%0.23CC..EExtended strand (participates in β ladder)trans-130.5155.7167.663.9-104.8000111.7L1165 A1166 H1167 N1223 A1226 L1230 H1279 E1282 I1283L1165-W1228 HydrophobicContact CD1-CB 4.15Å; L1165-W1228 HydrophobicContact CD1-CD2 3.97Å; L1165-W1228 HydrophobicContact CD1-CE3 3.58Å; L1165-W1228 HydrophobicContact CD1-CG 4.26Å; L1165-W1228 HydrophobicContact CD1-CZ3 4.28Å; A1166-W1228 CarbonylContact O-C 3.56Å; A1166-W1228 WeakPolarHBondContact O-CA 3.43Å; A1166-W1228 WeakPolarHBondContact O-CB 3.3Å; H1167-W1228 HydrophobicContact CB-CB 3.87Å; N1223-W1228 CarbonylContact C-O 3.54Å; N1223-W1228 WeakPolarHBondContact CA-O 3.49Å; N1223-W1228 HydrophobicContact CB-CD2 3.66Å; N1223-W1228 VanDerWaalsContact CB-CE2 3.48Å; N1223-W1228 HydrophobicContact CB-CE3 3.88Å; N1223-W1228 HydrophobicContact CB-CG 4.31Å; N1223-W1228 HydrophobicContact CB-CH2 3.79Å; N1223-W1228 HydrophobicContact CB-CZ2 3.57Å; N1223-W1228 HydrophobicContact CB-CZ3 3.94Å; N1223-W1228 PolarHBondContact N-O 2.96Å; N1223-W1228 WeakPolarHBondContact ND2-CZ2 3.43Å; N1223-W1228 PolarHBondContact ND2-NE1 2.96Å; N1223-W1228 PolarHBondContact O-N 3.01Å; A1226-W1228 VanDerWaalsContact C-N 3.27Å; A1226-W1228 VanDerWaalsContact CB-CD1 3.42Å; A1226-W1228 HydrophobicContact CB-CG 4.47Å; A1226-W1228 PolarHBondContact O-N 3.13Å; W1228-L1230 HydrophobicContact CE3-CB 4.44Å; W1228-L1230 HydrophobicContact CZ3-CB 3.93Å; W1228-H1279 HydrophobicContact CH2-CB 3.64Å; W1228-H1279 AromaticContact CH2-CG 3.88Å; W1228-H1279 AromaticContact CH2-ND1 3.63Å; W1228-H1279 HydrophobicContact CZ2-CB 4.39Å; W1228-H1279 AromaticContact CZ2-ND1 3.5Å; W1228-H1279 HydrophobicContact CZ3-CB 4.06Å; W1228-E1282 WeakPolarHBondContact CZ2-OE2 3.42Å; W1228-I1283 HydrophobicContact CH2-CD1 3.62Å; W1228-I1283 HydrophobicContact CH2-CG1 3.73Å; W1228-I1283 HydrophobicContact CZ2-CG1 4.47Å; W1228-I1283 HydrophobicContact CZ3-CD1 3.73Å; W1228-I1283 HydrophobicContact CZ3-CG1 4.32Å
1229V92.7Very high86.6Confident2 Ų239.9 Ų39.91%0.01223%0.225CC..EExtended strand (participates in β ladder)trans-136126.5-178.7174.10000108.3A1166 I1169 L1178 I1220 P1222 L1231A1166-V1229 PolarHBondContact N-O 3.08Å; A1166-V1229 PolarHBondContact O-N 3.16Å; I1169-V1229 HydrophobicContact CD1-CB 3.78Å; I1169-V1229 HydrophobicContact CD1-CG2 3.43Å; I1169-V1229 VanDerWaalsContact CD1-CG2 3.43Å; L1178-V1229 HydrophobicContact CD1-CB 4.47Å; L1178-V1229 HydrophobicContact CD1-CG2 4.04Å; I1220-V1229 HydrophobicContact CG2-CG1 3.43Å; I1220-V1229 VanDerWaalsContact CG2-CG1 3.43Å; P1222-V1229 HydrophobicContact CB-CG2 3.94Å; V1229-L1231 HydrophobicContact CG1-CD2 3.8Å; V1229-L1231 HydrophobicContact CG1-CG 4.4Å
1230L94.8Very high86.4Confident0 Ų041.3 Ų41.30%024%0.24CC..EExtended strand (participates in β ladder)trans-93.6127.9173.4175.565.8000109.4W1163 H1221 W1228 I1271 A1276 H1279 L1280W1163-L1230 HydrophobicContact CB-CD1 4.39Å; W1163-L1230 HydrophobicContact CD2-CD1 4.4Å; W1163-L1230 HydrophobicContact CE3-CD1 3.58Å; W1163-L1230 HydrophobicContact CE3-CD2 3.95Å; W1163-L1230 HydrophobicContact CE3-CG 3.62Å; W1163-L1230 HydrophobicContact CZ3-CD1 4.23Å; W1163-L1230 HydrophobicContact CZ3-CD2 3.8Å; W1163-L1230 HydrophobicContact CZ3-CG 3.75Å; H1221-L1230 HydrophobicContact CB-CB 4.32Å; H1221-L1230 PolarHBondContact N-O 3.47Å; H1221-L1230 PolarHBondContact O-N 3.41Å; W1228-L1230 HydrophobicContact CE3-CB 4.44Å; W1228-L1230 HydrophobicContact CZ3-CB 3.93Å; L1230-I1271 HydrophobicContact CD1-CD1 3.59Å; L1230-I1271 HydrophobicContact CD1-CG1 4.38Å; L1230-A1276 HydrophobicContact CD1-CB 4.24Å; L1230-A1276 HydrophobicContact CD2-CB 4.3Å; L1230-H1279 HydrophobicContact CD2-CB 4.09Å; L1230-L1280 HydrophobicContact CD2-CD1 4.49Å; L1230-L1280 HydrophobicContact CD2-CD2 3.9Å; L1230-L1280 HydrophobicContact CD2-CG 3.77Å
1231L94.2Very high86.2Confident2 Ų241.1 Ų41.11%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-113.9124-180-53.3172000109.3W1163 L1164 V1182 E1219 I1220 V1229 V1242 L1246W1163-L1231 WeakPolarHBondContact CA-O 3.07Å; L1164-L1231 HydrophobicContact CB-CB 4.21Å; L1164-L1231 HydrophobicContact CB-CD1 4.29Å; L1164-L1231 PolarHBondContact N-O 3.33Å; L1164-L1231 PolarHBondContact O-N 3.26Å; V1182-L1231 HydrophobicContact CG2-CD1 4.33Å; E1219-L1231 WeakPolarHBondContact O-CA 3.44Å; I1220-L1231 HydrophobicContact CB-CD2 4.26Å; I1220-L1231 HydrophobicContact CD1-CD2 3.7Å; I1220-L1231 HydrophobicContact CG1-CD2 3.61Å; I1220-L1231 HydrophobicContact CG2-CD2 4.06Å; V1229-L1231 HydrophobicContact CG1-CD2 3.8Å; V1229-L1231 HydrophobicContact CG1-CG 4.4Å; L1231-V1242 HydrophobicContact CD1-CG1 4.38Å; L1231-L1246 HydrophobicContact CD1-CD1 3.73Å
1232G94.5Very high86.1Confident0 Ų040.6 Ų40.60%024%0.236CC..EExtended strand (participates in β ladder)trans-105.1122.8173.800000110.8W1163 F1218 E1219W1163-G1232 VanDerWaalsContact CE3-CA 3.46Å; F1218-G1232 WeakPolarHBondContact CA-O 3.38Å; E1219-G1232 PolarHBondContact N-O 2.96Å; E1219-G1232 PolarHBondContact O-N 3.31Å
1233L92.8Very high86.2Confident1 Ų140.8 Ų40.81%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-120.2130.3-174.8-70161.7000111K1161 S1162 L1164 L1186 F1218 S1235 H1238 V1239 V1242K1161-L1233 WeakPolarHBondContact CA-O 3.35Å; S1162-L1233 PolarHBondContact N-O 3.08Å; S1162-L1233 PolarHBondContact O-N 2.87Å; L1164-L1233 HydrophobicContact CD1-CD1 4Å; L1164-L1233 HydrophobicContact CG-CD1 4.46Å; L1186-L1233 HydrophobicContact CD1-CD2 4.08Å; F1218-L1233 HydrophobicContact CB-CD2 3.62Å; F1218-L1233 HydrophobicContact CG-CD2 4.45Å; L1233-S1235 PolarHBondContact O-N 2.95Å; L1233-H1238 HydrophobicContact CB-CB 4.37Å; L1233-H1238 HydrophobicContact CD2-CB 4.28Å; L1233-V1239 HydrophobicContact CB-CG2 4.02Å; L1233-V1239 HydrophobicContact CD1-CB 4.47Å; L1233-V1239 HydrophobicContact CD1-CG2 3.91Å; L1233-V1242 HydrophobicContact CD1-CB 4.04Å; L1233-V1242 HydrophobicContact CD1-CG1 4.23Å; L1233-V1242 HydrophobicContact CD1-CG2 4.16Å; L1233-V1242 HydrophobicContact CD2-CG2 4.36Å
1234N86.7Confident86.2Confident79 Ų7944.8 Ų44.842%0.42226%0.255SS..SBendtrans-70.6-8.7-174.9-75.2-1000115.2K1161 D1217K1161-N1234 WeakPolarHBondContact CE-OD1 3.25Å; D1217-N1234 WeakPolarHBondContact CB-ND2 3.49Å
1235S81.6Confident87.2Confident31 Ų3142.8 Ų42.822%0.21725%0.248CC..  trans-137.6138.5177.8176.50000111.7L1233 T1237 H1238 V1239L1233-S1235 PolarHBondContact O-N 2.95Å; S1235-T1237 PolarHBondContact O-N 2.91Å; S1235-T1237 PolarHBondContact OG-N 3.38Å; S1235-T1237 VanDerWaalsContact OG-N 3.15Å; S1235-T1237 PolarHBondContact OG-OG1 3.03Å; S1235-H1238 WeakPolarHBondContact O-CB 3.36Å; S1235-H1238 PolarHBondContact O-N 3.19Å; S1235-H1238 VanDerWaalsContact O-N 3.13Å; S1235-V1239 PolarHBondContact O-N 2.85Å
1236P82.8Confident87.9Confident92 Ų9238.1 Ų38.160%0.59722%0.215SC*.Hα-helixtrans-57.9-28.2169.1-24.634.6000113.9V1239P1236-V1239 WeakPolarHBondContact O-CB 3.31Å; P1236-V1239 PolarHBondContact O-N 2.69Å
1237T85.2Confident88.2Confident78 Ų7840.7 Ų40.748%0.47922%0.218SC..Hα-helixtrans-68.2-40.4175.557.80000111.5S1235 V1239 S1240 I1241S1235-T1237 PolarHBondContact O-N 2.91Å; S1235-T1237 PolarHBondContact OG-N 3.38Å; S1235-T1237 VanDerWaalsContact OG-N 3.15Å; S1235-T1237 PolarHBondContact OG-OG1 3.03Å; T1237-V1239 PolarHBondContact O-N 3.42Å; T1237-S1240 PolarHBondContact O-N 3.43Å; T1237-I1241 VanDerWaalsContact O-CD1 3.24Å; T1237-I1241 WeakPolarHBondContact O-CD1 3.47Å; T1237-I1241 WeakPolarHBondContact O-CG1 3.49Å; T1237-I1241 PolarHBondContact O-N 3.3Å
1238H88.6Confident87.1Confident35 Ų3536 Ų3616%0.16221%0.208CC..Hα-helixtrans-61.1-32177.4-66.6-174.4000111.5L1186 L1233 S1235 V1242L1186-H1238 HydrophobicContact CD2-CB 3.55Å; L1233-H1238 HydrophobicContact CB-CB 4.37Å; L1233-H1238 HydrophobicContact CD2-CB 4.28Å; S1235-H1238 WeakPolarHBondContact O-CB 3.36Å; S1235-H1238 PolarHBondContact O-N 3.19Å; S1235-H1238 VanDerWaalsContact O-N 3.13Å; H1238-V1242 WeakPolarHBondContact O-CB 3.36Å; H1238-V1242 VanDerWaalsContact O-CG2 3.23Å; H1238-V1242 WeakPolarHBondContact O-CG2 3.22Å; H1238-V1242 PolarHBondContact O-N 2.86Å
1239V88.6Confident85.3Confident10 Ų1038.1 Ų38.16%0.06124%0.237CC..Hα-helixtrans-61.3-52.6174.5175.20000112L1164 L1233 S1235 P1236 T1237 I1241 V1242 H1243 L1270L1164-V1239 HydrophobicContact CD1-CG1 4.27Å; L1164-V1239 HydrophobicContact CD2-CG1 3.67Å; L1164-V1239 HydrophobicContact CG-CG1 4Å; L1233-V1239 HydrophobicContact CB-CG2 4.02Å; L1233-V1239 HydrophobicContact CD1-CB 4.47Å; L1233-V1239 HydrophobicContact CD1-CG2 3.91Å; S1235-V1239 PolarHBondContact O-N 2.85Å; P1236-V1239 WeakPolarHBondContact O-CB 3.31Å; P1236-V1239 PolarHBondContact O-N 2.69Å; T1237-V1239 PolarHBondContact O-N 3.42Å; V1239-I1241 VanDerWaalsContact C-N 3.34Å; V1239-I1241 PolarHBondContact O-N 2.87Å; V1239-V1242 PolarHBondContact O-N 3.32Å; V1239-H1243 VanDerWaalsContact O-CB 3.25Å; V1239-H1243 WeakPolarHBondContact O-CB 3.22Å; V1239-H1243 PolarHBondContact O-N 2.91Å; V1239-L1270 HydrophobicContact CG1-CD1 3.88Å
1240S86Confident82.9Confident70 Ų7044 Ų4449%0.4927%0.268SS..Hα-helixtrans-59.3-46.2-179.5-60.90000111.6T1237 V1242 H1243 D1244T1237-S1240 PolarHBondContact O-N 3.43Å; S1240-V1242 VanDerWaalsContact C-N 3.33Å; S1240-V1242 PolarHBondContact O-N 3.42Å; S1240-H1243 PolarHBondContact O-N 2.71Å; S1240-D1244 WeakPolarHBondContact O-CB 2.85Å; S1240-D1244 PolarHBondContact O-N 3.32Å
1241I86.3Confident80.2Confident32 Ų3248.2 Ų48.216%0.16430%0.298CS..Hα-helixtrans-58.9-44.4179.3-61.1152.7000111.4A1185 H1189 T1237 V1239 T1245A1185-I1241 HydrophobicContact CB-CG2 4.22Å; A1185-I1241 WeakPolarHBondContact O-CG2 3.46Å; H1189-I1241 HydrophobicContact CB-CD1 3.75Å; H1189-I1241 HydrophobicContact CB-CG1 4.41Å; H1189-I1241 HydrophobicContact CB-CG2 4.15Å; H1189-I1241 WeakPolarHBondContact CD2-CD1 3.43Å; T1237-I1241 VanDerWaalsContact O-CD1 3.24Å; T1237-I1241 WeakPolarHBondContact O-CD1 3.47Å; T1237-I1241 WeakPolarHBondContact O-CG1 3.49Å; T1237-I1241 PolarHBondContact O-N 3.3Å; V1239-I1241 VanDerWaalsContact C-N 3.34Å; V1239-I1241 PolarHBondContact O-N 2.87Å; I1241-T1245 WeakPolarHBondContact O-CB 3.28Å; I1241-T1245 PolarHBondContact O-N 3.39Å; I1241-T1245 VanDerWaalsContact O-N 3.17Å; I1241-T1245 PolarHBondContact O-OG1 3.01Å
1242V90.7Very high77.6Confident1 Ų153.9 Ų53.91%0.00633%0.328CS..Hα-helixtrans-73.8-36.3179.7171.10000111.6L1164 V1182 A1185 L1186 L1231 L1233 H1238 V1239 S1240 T1245 L1246L1164-V1242 HydrophobicContact CD1-CB 4.15Å; L1164-V1242 HydrophobicContact CD1-CG1 3.76Å; V1182-V1242 HydrophobicContact CG1-CG2 4.07Å; V1182-V1242 HydrophobicContact CG2-CG1 3.91Å; A1185-V1242 HydrophobicContact CB-CG2 4.38Å; L1186-V1242 HydrophobicContact CD2-CG2 3.78Å; L1186-V1242 HydrophobicContact CG-CG2 4.04Å; L1231-V1242 HydrophobicContact CD1-CG1 4.38Å; L1233-V1242 HydrophobicContact CD1-CB 4.04Å; L1233-V1242 HydrophobicContact CD1-CG1 4.23Å; L1233-V1242 HydrophobicContact CD1-CG2 4.16Å; L1233-V1242 HydrophobicContact CD2-CG2 4.36Å; H1238-V1242 WeakPolarHBondContact O-CB 3.36Å; H1238-V1242 VanDerWaalsContact O-CG2 3.23Å; H1238-V1242 WeakPolarHBondContact O-CG2 3.22Å; H1238-V1242 PolarHBondContact O-N 2.86Å; V1239-V1242 PolarHBondContact O-N 3.32Å; S1240-V1242 VanDerWaalsContact C-N 3.33Å; S1240-V1242 PolarHBondContact O-N 3.42Å; V1242-T1245 PolarHBondContact O-N 3.14Å; V1242-L1246 HydrophobicContact CG1-CD1 3.55Å; V1242-L1246 HydrophobicContact CG1-CG 4.07Å; V1242-L1246 VanDerWaalsContact O-CB 3.3Å; V1242-L1246 WeakPolarHBondContact O-CB 3.34Å; V1242-L1246 VanDerWaalsContact O-CG 3.26Å; V1242-L1246 WeakPolarHBondContact O-CG 3.37Å; V1242-L1246 PolarHBondContact O-N 2.97Å
1243H90Very high74.8Confident40 Ų4058.9 Ų58.919%0.18536%0.358CS..Hα-helixtrans-60.8-54.3174.8-164-70.3000110.6L1164 V1239 S1240 T1245 L1246 E1247L1164-H1243 HydrophobicContact CD1-CB 4.42Å; V1239-H1243 VanDerWaalsContact O-CB 3.25Å; V1239-H1243 WeakPolarHBondContact O-CB 3.22Å; V1239-H1243 PolarHBondContact O-N 2.91Å; S1240-H1243 PolarHBondContact O-N 2.71Å; H1243-T1245 PolarHBondContact O-N 3.49Å; H1243-L1246 PolarHBondContact O-N 3.41Å; H1243-E1247 IonicContact CE1-OE1 3.92Å; H1243-E1247 IonicContact CE1-OE2 3.06Å; H1243-E1247 PolarHBondContact CE1-OE2 3.5Å; H1243-E1247 IonicContact ND1-OE2 3.19Å; H1243-E1247 PolarHBondContact ND1-OE2 2.87Å; H1243-E1247 VanDerWaalsContact O-CB 3.29Å; H1243-E1247 WeakPolarHBondContact O-CB 3.03Å; H1243-E1247 PolarHBondContact O-N 3.16Å
1244D85.6Confident72.3Confident91 Ų9162.8 Ų62.849%0.48738%0.379SS..Hα-helixtrans-58-37.3179.1-65.9-10.1000112S1240S1240-D1244 WeakPolarHBondContact O-CB 2.85Å; S1240-D1244 PolarHBondContact O-N 3.32Å
1245T86.3Confident70.1Confident43 Ų4366.8 Ų66.826%0.26440%0.401SS..Hα-helixtrans-76.8-35.6-179.9-53.30000113T1181 A1185 I1241 V1242 H1243T1181-T1245 HydrophobicContact CG2-CG2 3.87Å; A1185-T1245 HydrophobicContact CB-CG2 3.98Å; I1241-T1245 WeakPolarHBondContact O-CB 3.28Å; I1241-T1245 PolarHBondContact O-N 3.39Å; I1241-T1245 VanDerWaalsContact O-N 3.17Å; I1241-T1245 PolarHBondContact O-OG1 3.01Å; V1242-T1245 PolarHBondContact O-N 3.14Å; H1243-T1245 PolarHBondContact O-N 3.49Å
1246L87.4Confident68.3Low1 Ų172.5 Ų72.51%0.00543%0.429CS..Hα-helixtrans-87.4-30.8-177-68.6-180000113.7L1178 T1181 V1182 L1231 V1242 H1243 G1248 Y1265 I1268L1178-L1246 HydrophobicContact CD2-CD2 4.04Å; T1181-L1246 HydrophobicContact CG2-CD2 3.8Å; V1182-L1246 HydrophobicContact CG2-CD1 4.14Å; L1231-L1246 HydrophobicContact CD1-CD1 3.73Å; V1242-L1246 HydrophobicContact CG1-CD1 3.55Å; V1242-L1246 HydrophobicContact CG1-CG 4.07Å; V1242-L1246 VanDerWaalsContact O-CB 3.3Å; V1242-L1246 WeakPolarHBondContact O-CB 3.34Å; V1242-L1246 VanDerWaalsContact O-CG 3.26Å; V1242-L1246 WeakPolarHBondContact O-CG 3.37Å; V1242-L1246 PolarHBondContact O-N 2.97Å; H1243-L1246 PolarHBondContact O-N 3.41Å; L1246-G1248 VanDerWaalsContact C-N 3.28Å; L1246-Y1265 HydrophobicContact CB-CD2 4.4Å; L1246-Y1265 HydrophobicContact CD2-CD1 4.09Å; L1246-Y1265 HydrophobicContact CD2-CD2 3.6Å; L1246-Y1265 HydrophobicContact CD2-CE2 4.13Å; L1246-Y1265 HydrophobicContact CD2-CG 3.6Å; L1246-Y1265 PolarHBondContact O-N 2.92Å; L1246-I1268 HydrophobicContact CB-CD1 3.75Å; L1246-I1268 HydrophobicContact CB-CG1 3.81Å; L1246-I1268 HydrophobicContact CD1-CD1 4.27Å
1247E81.8Confident66Low104 Ų10471.2 Ų71.249%0.48643%0.432SS..Hα-helixtrans-74.9-20176.9-168.4167.6-137.700112.3H1243 G1249 I1268H1243-E1247 IonicContact CE1-OE1 3.92Å; H1243-E1247 IonicContact CE1-OE2 3.06Å; H1243-E1247 PolarHBondContact CE1-OE2 3.5Å; H1243-E1247 IonicContact ND1-OE2 3.19Å; H1243-E1247 PolarHBondContact ND1-OE2 2.87Å; H1243-E1247 VanDerWaalsContact O-CB 3.29Å; H1243-E1247 WeakPolarHBondContact O-CB 3.03Å; H1243-E1247 PolarHBondContact O-N 3.16Å; E1247-G1249 VanDerWaalsContact C-N 3.35Å; E1247-G1249 PolarHBondContact O-N 3.09Å; E1247-I1268 HydrophobicContact CB-CG1 4.28Å
1248G61.7Low63.9Low23 Ų2375.2 Ų75.224%0.23745%0.446CS..  trans76.115.9167.600000115.3L1246L1246-G1248 VanDerWaalsContact C-N 3.28Å
1249G53.5Low61.5Low66 Ų6682 Ų8268%0.6848%0.478SS*.  trans-79.8-21-173.700000116.1E1247E1247-G1249 VanDerWaalsContact C-N 3.35Å; E1247-G1249 PolarHBondContact O-N 3.09Å
1250N41.8Very low59.4Low124 Ų12488.8 Ų88.866%0.66351%0.509SS*.  trans-108.789.2-174.2-103.3-32.8000112.4N1252N1250-N1252 PolarHBondContact O-N 3.17Å
1251S38.6Very low57.6Low90 Ų9091.4 Ų91.463%0.62952%0.522SS*.  trans-66.885.1163.360.30000109.3T1253S1251-T1253 VanDerWaalsContact C-N 3.35Å; S1251-T1253 PolarHBondContact O-N 3.4Å; S1251-T1253 PolarHBondContact O-OG1 2.92Å
1252N40Very low56Low120 Ų12092.6 Ų92.664%0.64253%0.53SS*.  trans-69.694.1179.3-148.5-13.3000108.2N1250 N1254N1250-N1252 PolarHBondContact O-N 3.17Å; N1252-N1254 VanDerWaalsContact C-N 3.28Å; N1252-N1254 PolarHBondContact O-N 3.05Å
1253T34.9Very low54.4Low105 Ų10594.1 Ų94.164%0.64455%0.547SS*.  trans-73.281.6-168.3-53.70000110.4S1251 N1255S1251-T1253 VanDerWaalsContact C-N 3.35Å; S1251-T1253 PolarHBondContact O-N 3.4Å; S1251-T1253 PolarHBondContact O-OG1 2.92Å; T1253-N1255 PolarHBondContact O-N 3.2Å
1254N40.4Very low53.4Low84 Ų8496.6 Ų96.645%0.44957%0.567SS.*  trans-52.3128.9166.3-65.3-29.6000108.1N1252 N1256 G1257N1252-N1254 VanDerWaalsContact C-N 3.28Å; N1252-N1254 PolarHBondContact O-N 3.05Å; N1254-N1256 PolarHBondContact O-N 2.95Å; N1254-G1257 PolarHBondContact O-N 2.76Å
1255N41.3Very low53.2Low163 Ų16393.5 Ų93.587%0.87255%0.549SS*.THydrogen-bonded Turntrans-61.52.7-168.1-69.6-40.5000115.9T1253T1253-N1255 PolarHBondContact O-N 3.2Å
1256N43.7Very low53Low150 Ų15092.5 Ų92.580%0.80255%0.547SS*.THydrogen-bonded Turntrans-100.812.5-179.7-61.6-5.8000113.3N1254 Q1258N1254-N1256 PolarHBondContact O-N 2.95Å; N1256-Q1258 VanDerWaalsContact C-N 3.28Å; N1256-Q1258 PolarHBondContact O-N 2.94Å; N1256-Q1258 VanDerWaalsContact O-N 3.11Å
1257G34.1Very low53Low65 Ų6595 Ų9567%0.6757%0.565SS**  trans75.1-1.5165.600000117.3N1254 Q1259N1254-G1257 PolarHBondContact O-N 2.76Å; G1257-Q1259 PolarHBondContact O-N 3.36Å
1258Q39.9Very low53.4Low163 Ų16390.7 Ų90.776%0.76255%0.545SS*.  trans-77.5108.8173.3-71.8-171.1-19.500111N1256 Q1260N1256-Q1258 VanDerWaalsContact C-N 3.28Å; N1256-Q1258 PolarHBondContact O-N 2.94Å; N1256-Q1258 VanDerWaalsContact O-N 3.11Å; Q1258-Q1260 PolarHBondContact O-N 3.01Å; Q1258-Q1260 VanDerWaalsContact O-N 3.14Å
1259Q38.6Very low54.9Low178 Ų17893.9 Ų93.983%0.83255%0.552SS**  trans-69.3103165.8-71.8-177.7-15.200109.5G1257 T1261G1257-Q1259 PolarHBondContact O-N 3.36Å; Q1259-T1261 PolarHBondContact O-N 3.04Å; Q1259-T1261 VanDerWaalsContact O-N 3.13Å
1260Q45Very low56.8Low152 Ų15295.6 Ų95.671%0.7155%0.545SS*.  trans-69105.3161.5-77-174.8-26.900108.2Q1258 T1262Q1258-Q1260 PolarHBondContact O-N 3.01Å; Q1258-Q1260 VanDerWaalsContact O-N 3.14Å; Q1260-T1262 VanDerWaalsContact C-N 3.33Å; Q1260-T1262 PolarHBondContact O-N 2.84Å
1261T47.6Very low59.2Low125 Ų12590.1 Ų90.177%0.76752%0.516SS*.  trans-73.487.2174.953.10000109.7Q1259 G1263Q1259-T1261 PolarHBondContact O-N 3.04Å; Q1259-T1261 VanDerWaalsContact O-N 3.13Å; T1261-G1263 PolarHBondContact O-N 3.15Å
1262T53.4Low61.8Low56 Ų5689 Ų8934%0.34451%0.505SS..  trans-59.899.7165.643.90000108.7Q1260Q1260-T1262 VanDerWaalsContact C-N 3.33Å; Q1260-T1262 PolarHBondContact O-N 2.84Å
1263G57.8Low64.2Low34 Ų3485.1 Ų85.135%0.35149%0.487SS..  trans-60.3139.1-179.400000111.2T1261 Y1265T1261-G1263 PolarHBondContact O-N 3.15Å; G1263-Y1265 WeakPolarHBondContact O-CD2 3.37Å; G1263-Y1265 WeakPolarHBondContact O-CE2 3.15Å; G1263-Y1265 PolarHBondContact O-N 3.27Å
1264C68.6Low66.9Low92 Ų9283.5 Ų83.562%0.62248%0.477SS*.  trans-69106.1-176.7-480000110.2I1173 G1266I1173-C1264 WeakPolarHBondContact CD1-O 3.45Å; C1264-G1266 PolarHBondContact O-N 3.06Å
1265Y80Confident69.3Low26 Ų2682.2 Ų82.210%0.10247%0.468CS..  trans-72.5-0.3-173.3-73.5-83.7000114.8I1173 L1178 T1181 L1246 G1263I1173-Y1265 HydrophobicContact CD1-CD1 3.91Å; I1173-Y1265 HydrophobicContact CD1-CE1 4.36Å; I1173-Y1265 HydrophobicContact CD1-CG 4.39Å; I1173-Y1265 HydrophobicContact CG2-CD1 3.84Å; I1173-Y1265 HydrophobicContact CG2-CE1 4.18Å; L1178-Y1265 HydrophobicContact CD2-CD1 3.49Å; L1178-Y1265 VanDerWaalsContact CD2-CD1 3.49Å; L1178-Y1265 HydrophobicContact CD2-CE1 4.37Å; L1178-Y1265 HydrophobicContact CD2-CG 4.02Å; L1178-Y1265 HydrophobicContact CG-CD1 4.07Å; T1181-Y1265 HydrophobicContact CG2-CE2 3.83Å; T1181-Y1265 PolarHBondContact OG1-OH 3.03Å; L1246-Y1265 HydrophobicContact CB-CD2 4.4Å; L1246-Y1265 HydrophobicContact CD2-CD1 4.09Å; L1246-Y1265 HydrophobicContact CD2-CD2 3.6Å; L1246-Y1265 HydrophobicContact CD2-CE2 4.13Å; L1246-Y1265 HydrophobicContact CD2-CG 3.6Å; L1246-Y1265 PolarHBondContact O-N 2.92Å; G1263-Y1265 WeakPolarHBondContact O-CD2 3.37Å; G1263-Y1265 WeakPolarHBondContact O-CE2 3.15Å; G1263-Y1265 PolarHBondContact O-N 3.27Å
1266G83.4Confident71.8Confident21 Ų2174.4 Ų74.422%0.21643%0.426CS..SBendtrans120.7-164.8-17100000109.9H1167 C1264H1167-G1266 CarbonylContact O-C 3.44Å; H1167-G1266 WeakPolarHBondContact O-CA 3.46Å; C1264-G1266 PolarHBondContact O-N 3.06Å
1267S86.9Confident74.1Confident55 Ų5568.5 Ų68.539%0.38540%0.395SS..EExtended strand (participates in β ladder)trans-86.3126.2167.5-56.50000108.5H1167 N1168H1167-S1267 WeakPolarHBondContact CE1-CB 3.33Å; H1167-S1267 PolarHBondContact CE1-O 3.36Å; H1167-S1267 PolarHBondContact N-O 3.33Å; H1167-S1267 PolarHBondContact ND1-O 3.05Å; H1167-S1267 WeakPolarHBondContact NE2-CB 3.29Å; H1167-S1267 PolarHBondContact O-N 3.25Å; N1168-S1267 PolarHBondContact ND2-OG 3.48Å
1268I91.3Very high76.8Confident13 Ų1370.4 Ų70.47%0.06739%0.389CS..EExtended strand (participates in β ladder)trans-98.1137.2175.5-49.2-56.4000108.3L1164 A1166 L1246 E1247L1164-I1268 HydrophobicContact CB-CG2 4.45Å; L1164-I1268 HydrophobicContact CD1-CG2 4.38Å; L1164-I1268 HydrophobicContact CD2-CG2 4.16Å; A1166-I1268 HydrophobicContact CB-CD1 3.67Å; L1246-I1268 HydrophobicContact CB-CD1 3.75Å; L1246-I1268 HydrophobicContact CB-CG1 3.81Å; L1246-I1268 HydrophobicContact CD1-CD1 4.27Å; E1247-I1268 HydrophobicContact CB-CG1 4.28Å
1269K92.6Very high79.3Confident89 Ų8964.5 Ų64.539%0.38736%0.361SS..EExtended strand (participates in β ladder)trans-133127.6174-174.9-164.5168-162.90109.8L1164 L1165 I1271 E1275L1164-K1269 WeakPolarHBondContact CA-O 3.41Å; L1165-K1269 PolarHBondContact N-O 3.33Å; L1165-K1269 PolarHBondContact O-N 3.39Å; K1269-I1271 HydrophobicContact CB-CG2 4.38Å; K1269-I1271 HydrophobicContact CD-CG2 3.72Å; K1269-I1271 HydrophobicContact CG-CG2 4Å; K1269-I1271 PolarHBondContact O-N 2.9Å; K1269-E1275 IonicContact NZ-OE1 3.74Å; K1269-E1275 PolarHBondContact NZ-OE1 3.06Å
1270L92.9Very high81.8Confident102 Ų10256.3 Ų56.353%0.53432%0.323SS..EExtended strand (participates in β ladder)trans-68.4123.8162.7177.955.9000109.9W1163 L1164 V1239W1163-L1270 WeakPolarHBondContact O-CD1 3.33Å; L1164-L1270 HydrophobicContact CD2-CB 4.2Å; L1164-L1270 HydrophobicContact CD2-CD1 4.23Å; V1239-L1270 HydrophobicContact CG1-CD1 3.88Å
1271I93.2Very high83.9Confident9 Ų953.5 Ų53.55%0.04631%0.31CS..EExtended strand (participates in β ladder)trans-120.9156-18071.6167.8000111.9W1163 L1165 L1230 K1269 E1275 A1276W1163-I1271 HydrophobicContact CB-CD1 4.38Å; W1163-I1271 HydrophobicContact CB-CG1 3.69Å; W1163-I1271 PolarHBondContact O-N 2.85Å; L1165-I1271 HydrophobicContact CB-CD1 4.3Å; L1165-I1271 HydrophobicContact CB-CG2 3.83Å; L1165-I1271 HydrophobicContact CD2-CG2 4.49Å; L1230-I1271 HydrophobicContact CD1-CD1 3.59Å; L1230-I1271 HydrophobicContact CD1-CG1 4.38Å; K1269-I1271 HydrophobicContact CB-CG2 4.38Å; K1269-I1271 HydrophobicContact CD-CG2 3.72Å; K1269-I1271 HydrophobicContact CG-CG2 4Å; K1269-I1271 PolarHBondContact O-N 2.9Å; I1271-E1275 HydrophobicContact CB-CB 3.97Å; I1271-E1275 HydrophobicContact CD1-CB 3.98Å; I1271-E1275 HydrophobicContact CG1-CB 4.37Å; I1271-A1276 HydrophobicContact CD1-CB 3.97Å; I1271-A1276 HydrophobicContact CG1-CB 4.47Å
1272T92.6Very high85.8Confident67 Ų6751.1 Ų51.141%0.41129%0.29SS..  trans-72.5155.4175.259.10000111.8T1274 E1275 A1276T1272-T1274 PolarHBondContact O-N 3.45Å; T1272-T1274 VanDerWaalsContact O-N 3.12Å; T1272-E1275 WeakPolarHBondContact CB-OE2 3.33Å; T1272-E1275 PolarHBondContact N-OE2 2.71Å; T1272-E1275 PolarHBondContact O-N 2.89Å; T1272-E1275 VanDerWaalsContact O-N 3.08Å; T1272-E1275 WeakPolarHBondContact OG1-CG 3.2Å; T1272-E1275 PolarHBondContact OG1-N 3.38Å; T1272-E1275 PolarHBondContact OG1-OE2 2.98Å; T1272-A1276 PolarHBondContact O-N 3.01Å
1273P90.8Very high87.4Confident39 Ų3949.5 Ų49.525%0.25328%0.279SS..Hα-helixtrans-54.3-27.7169.5-28.436.8000113.7I1154 I1158 L1277I1154-P1273 HydrophobicContact CD1-CB 4.42Å; I1154-P1273 HydrophobicContact CG2-CB 4.37Å; I1158-P1273 HydrophobicContact CG2-CB 4.23Å; P1273-L1277 WeakPolarHBondContact O-CB 3.41Å; P1273-L1277 PolarHBondContact O-N 3.26Å
1274T90.2Very high88.6Confident70 Ų7050 Ų5043%0.42927%0.272SS..Hα-helixtrans-68.9-45.8175-39.80000112.2I1154 T1272 L1277 L1278I1154-T1274 WeakPolarHBondContact CD1-OG1 3.28Å; T1272-T1274 PolarHBondContact O-N 3.45Å; T1272-T1274 VanDerWaalsContact O-N 3.12Å; T1274-L1277 PolarHBondContact O-N 3.08Å; T1274-L1278 WeakPolarHBondContact O-CG 3.16Å; T1274-L1278 PolarHBondContact O-N 2.71Å
1275E92.4Very high89.2Confident57 Ų5748.7 Ų48.727%0.26626%0.264SS..Hα-helixtrans-65.4-39.5173.6-72.3163.5105.100111.4K1269 I1271 T1272 L1277 L1278 H1279K1269-E1275 IonicContact NZ-OE1 3.74Å; K1269-E1275 PolarHBondContact NZ-OE1 3.06Å; I1271-E1275 HydrophobicContact CB-CB 3.97Å; I1271-E1275 HydrophobicContact CD1-CB 3.98Å; I1271-E1275 HydrophobicContact CG1-CB 4.37Å; T1272-E1275 WeakPolarHBondContact CB-OE2 3.33Å; T1272-E1275 PolarHBondContact N-OE2 2.71Å; T1272-E1275 PolarHBondContact O-N 2.89Å; T1272-E1275 VanDerWaalsContact O-N 3.08Å; T1272-E1275 WeakPolarHBondContact OG1-CG 3.2Å; T1272-E1275 PolarHBondContact OG1-N 3.38Å; T1272-E1275 PolarHBondContact OG1-OE2 2.98Å; E1275-L1277 VanDerWaalsContact C-N 3.34Å; E1275-L1277 PolarHBondContact O-N 3.02Å; E1275-L1278 PolarHBondContact O-N 2.99Å; E1275-H1279 PolarHBondContact O-CD2 3.39Å; E1275-H1279 VanDerWaalsContact O-CD2 3.3Å; E1275-H1279 PolarHBondContact O-N 3.28Å
1276A93.1Very high89.3Confident0 Ų049.7 Ų49.70%027%0.271CS..Hα-helixtrans-60.6-43.8175.400000111.5W1163 L1230 I1271 T1272 L1278 H1279 L1280W1163-A1276 HydrophobicContact CB-CB 3.94Å; W1163-A1276 HydrophobicContact CD2-CB 3.43Å; W1163-A1276 VanDerWaalsContact CD2-CB 3.43Å; W1163-A1276 HydrophobicContact CE3-CB 3.91Å; W1163-A1276 HydrophobicContact CG-CB 3.45Å; W1163-A1276 VanDerWaalsContact CG-CB 3.45Å; W1163-A1276 HydrophobicContact CZ2-CB 4.45Å; L1230-A1276 HydrophobicContact CD1-CB 4.24Å; L1230-A1276 HydrophobicContact CD2-CB 4.3Å; I1271-A1276 HydrophobicContact CD1-CB 3.97Å; I1271-A1276 HydrophobicContact CG1-CB 4.47Å; T1272-A1276 PolarHBondContact O-N 3.01Å; A1276-L1278 VanDerWaalsContact C-N 3.33Å; A1276-L1278 PolarHBondContact O-N 3.41Å; A1276-H1279 PolarHBondContact O-N 3.24Å; A1276-L1280 WeakPolarHBondContact O-CB 3.35Å; A1276-L1280 VanDerWaalsContact O-CG 3.26Å; A1276-L1280 WeakPolarHBondContact O-CG 3.19Å; A1276-L1280 PolarHBondContact O-N 3.34Å
1277L91.5Very high89Confident26 Ų2651 Ų5114%0.13628%0.28CS..Hα-helixtrans-60.5-39.6175.5-176.7145.2000112.5I1154 I1158 P1273 T1274 E1275 L1280 Q1281I1154-L1277 HydrophobicContact CB-CD1 4.43Å; I1154-L1277 HydrophobicContact CG1-CD1 4.38Å; I1154-L1277 HydrophobicContact CG2-CD1 4.12Å; I1158-L1277 HydrophobicContact CD1-CD1 4.29Å; I1158-L1277 HydrophobicContact CG2-CB 4.46Å; P1273-L1277 WeakPolarHBondContact O-CB 3.41Å; P1273-L1277 PolarHBondContact O-N 3.26Å; T1274-L1277 PolarHBondContact O-N 3.08Å; E1275-L1277 VanDerWaalsContact C-N 3.34Å; E1275-L1277 PolarHBondContact O-N 3.02Å; L1277-L1280 PolarHBondContact O-N 3.02Å; L1277-Q1281 HydrophobicContact CD2-CG 4.46Å; L1277-Q1281 WeakPolarHBondContact O-CG 3.38Å; L1277-Q1281 PolarHBondContact O-N 2.9Å
1278L91.3Very high88.5Confident104 Ų10452.2 Ų52.255%0.54529%0.288SS..Hα-helixtrans-64.8-42.8174.6-68.9170.1000112.1T1274 E1275 A1276 Q1281 E1282T1274-L1278 WeakPolarHBondContact O-CG 3.16Å; T1274-L1278 PolarHBondContact O-N 2.71Å; E1275-L1278 PolarHBondContact O-N 2.99Å; A1276-L1278 VanDerWaalsContact C-N 3.33Å; A1276-L1278 PolarHBondContact O-N 3.41Å; L1278-Q1281 WeakPolarHBondContact O-CB 3.19Å; L1278-Q1281 PolarHBondContact O-N 3.08Å; L1278-E1282 PolarHBondContact O-N 2.97Å
1279H91.8Very high87.8Confident40 Ų4059.8 Ų59.819%0.18532%0.316CS..Hα-helixtrans-68-34.8175.9-77.5-56.2000113.1W1228 L1230 E1275 A1276 E1282 I1283W1228-H1279 HydrophobicContact CH2-CB 3.64Å; W1228-H1279 AromaticContact CH2-CG 3.88Å; W1228-H1279 AromaticContact CH2-ND1 3.63Å; W1228-H1279 HydrophobicContact CZ2-CB 4.39Å; W1228-H1279 AromaticContact CZ2-ND1 3.5Å; W1228-H1279 HydrophobicContact CZ3-CB 4.06Å; L1230-H1279 HydrophobicContact CD2-CB 4.09Å; E1275-H1279 PolarHBondContact O-CD2 3.39Å; E1275-H1279 VanDerWaalsContact O-CD2 3.3Å; E1275-H1279 PolarHBondContact O-N 3.28Å; A1276-H1279 PolarHBondContact O-N 3.24Å; H1279-E1282 IonicContact ND1-OE2 3.86Å; H1279-E1282 PolarHBondContact ND1-OE2 3.31Å; H1279-E1282 WeakPolarHBondContact O-CB 3.49Å; H1279-E1282 PolarHBondContact O-N 2.89Å; H1279-I1283 WeakPolarHBondContact O-CG1 2.96Å; H1279-I1283 PolarHBondContact O-N 3.49Å
1280L91Very high86.6Confident6 Ų660.1 Ų60.13%0.03132%0.322CS..Hα-helixtrans-65.6-40.1171.9-68.9166.2000111.1W1114 M1117 I1158 W1163 H1221 L1230 A1276 L1277 I1283 Q1284W1114-L1280 HydrophobicContact CH2-CD2 4.1Å; W1114-L1280 HydrophobicContact CZ3-CB 4.43Å; W1114-L1280 HydrophobicContact CZ3-CD2 3.8Å; M1117-L1280 HydrophobicContact CE-CD1 4.02Å; I1158-L1280 HydrophobicContact CD1-CD1 3.72Å; I1158-L1280 HydrophobicContact CG1-CD1 4.17Å; W1163-L1280 HydrophobicContact CH2-CD1 3.94Å; W1163-L1280 HydrophobicContact CZ2-CD1 4.36Å; H1221-L1280 HydrophobicContact CB-CD2 4.13Å; L1230-L1280 HydrophobicContact CD2-CD1 4.49Å; L1230-L1280 HydrophobicContact CD2-CD2 3.9Å; L1230-L1280 HydrophobicContact CD2-CG 3.77Å; A1276-L1280 WeakPolarHBondContact O-CB 3.35Å; A1276-L1280 VanDerWaalsContact O-CG 3.26Å; A1276-L1280 WeakPolarHBondContact O-CG 3.19Å; A1276-L1280 PolarHBondContact O-N 3.34Å; L1277-L1280 PolarHBondContact O-N 3.02Å; L1280-I1283 PolarHBondContact O-N 2.93Å; L1280-Q1284 WeakPolarHBondContact O-CB 3.15Å; L1280-Q1284 VanDerWaalsContact O-CG 3.3Å; L1280-Q1284 WeakPolarHBondContact O-CG 3.32Å; L1280-Q1284 PolarHBondContact O-N 3.13Å
1281Q88.7Confident85.3Confident92 Ų9263.3 Ų63.343%0.4333%0.331SS..Hα-helixtrans-64.9-36.3172.3-74.5177.3-7.600112.6L1277 L1278 Q1284 S1285L1277-Q1281 HydrophobicContact CD2-CG 4.46Å; L1277-Q1281 WeakPolarHBondContact O-CG 3.38Å; L1277-Q1281 PolarHBondContact O-N 2.9Å; L1278-Q1281 WeakPolarHBondContact O-CB 3.19Å; L1278-Q1281 PolarHBondContact O-N 3.08Å; Q1281-Q1284 PolarHBondContact O-N 3.12Å; Q1281-S1285 WeakPolarHBondContact O-CB 3.36Å; Q1281-S1285 PolarHBondContact O-N 2.9Å
1282E87.8Confident83.1Confident75 Ų7564.1 Ų64.135%0.3534%0.342SS..Hα-helixtrans-62.2-48.2173.2-166.4-165144.800111.1N1223 W1228 L1278 H1279 Q1284 S1285 L1286N1223-E1282 PolarHBondContact ND2-OE1 3.15Å; N1223-E1282 VanDerWaalsContact ND2-OE1 3.16Å; W1228-E1282 WeakPolarHBondContact CZ2-OE2 3.42Å; L1278-E1282 PolarHBondContact O-N 2.97Å; H1279-E1282 IonicContact ND1-OE2 3.86Å; H1279-E1282 PolarHBondContact ND1-OE2 3.31Å; H1279-E1282 WeakPolarHBondContact O-CB 3.49Å; H1279-E1282 PolarHBondContact O-N 2.89Å; E1282-Q1284 PolarHBondContact O-N 2.8Å; E1282-S1285 WeakPolarHBondContact O-CB 3.31Å; E1282-S1285 PolarHBondContact O-N 2.82Å; E1282-L1286 HydrophobicContact CG-CD1 4.29Å; E1282-L1286 WeakPolarHBondContact O-CG 3.46Å; E1282-L1286 PolarHBondContact O-N 2.76Å
1283I86.7Confident81.1Confident22 Ų2267.7 Ų67.711%0.11336%0.357CS..Hα-helixtrans-61.7-43.7176.4-69.9171.4000111W1114 H1221 N1223 W1228 H1279 L1280 S1285 L1286 A1287W1114-I1283 HydrophobicContact CH2-CB 4.3Å; W1114-I1283 HydrophobicContact CH2-CG2 3.67Å; W1114-I1283 HydrophobicContact CZ2-CG2 3.74Å; H1221-I1283 HydrophobicContact CB-CD1 3.73Å; N1223-I1283 HydrophobicContact CB-CD1 4.44Å; N1223-I1283 HydrophobicContact CB-CG1 4.22Å; W1228-I1283 HydrophobicContact CH2-CD1 3.62Å; W1228-I1283 HydrophobicContact CH2-CG1 3.73Å; W1228-I1283 HydrophobicContact CZ2-CG1 4.47Å; W1228-I1283 HydrophobicContact CZ3-CD1 3.73Å; W1228-I1283 HydrophobicContact CZ3-CG1 4.32Å; H1279-I1283 WeakPolarHBondContact O-CG1 2.96Å; H1279-I1283 PolarHBondContact O-N 3.49Å; L1280-I1283 PolarHBondContact O-N 2.93Å; I1283-S1285 PolarHBondContact O-N 3.23Å; I1283-L1286 PolarHBondContact O-N 3.41Å; I1283-A1287 WeakPolarHBondContact O-CB 3.13Å; I1283-A1287 PolarHBondContact O-N 3.36Å
1284Q83.3Confident79Confident44 Ų4471.9 Ų71.921%0.20638%0.378CS..Hα-helixtrans-59.8-44.4174.6-75.1175.5-0.200111.6W1114 L1280 Q1281 E1282 L1286 A1287 S1288W1114-Q1284 HydrophobicContact CD2-CG 4.26Å; W1114-Q1284 HydrophobicContact CE3-CG 3.9Å; W1114-Q1284 HydrophobicContact CH2-CG 4.41Å; W1114-Q1284 HydrophobicContact CZ3-CG 3.95Å; L1280-Q1284 WeakPolarHBondContact O-CB 3.15Å; L1280-Q1284 VanDerWaalsContact O-CG 3.3Å; L1280-Q1284 WeakPolarHBondContact O-CG 3.32Å; L1280-Q1284 PolarHBondContact O-N 3.13Å; Q1281-Q1284 PolarHBondContact O-N 3.12Å; E1282-Q1284 PolarHBondContact O-N 2.8Å; Q1284-L1286 PolarHBondContact O-N 3.23Å; Q1284-A1287 PolarHBondContact O-N 3.34Å; Q1284-S1288 VanDerWaalsContact O-CB 3.29Å; Q1284-S1288 WeakPolarHBondContact O-CB 3.25Å; Q1284-S1288 PolarHBondContact O-N 2.74Å; Q1284-S1288 PolarHBondContact O-OG 2.93Å
1285S82.4Confident76.7Confident65 Ų6571.6 Ų71.646%0.45538%0.382SS..Hα-helixtrans-61.8-43.8176.9-177.20000112.3Q1281 E1282 I1283 S1288 R1289Q1281-S1285 WeakPolarHBondContact O-CB 3.36Å; Q1281-S1285 PolarHBondContact O-N 2.9Å; E1282-S1285 WeakPolarHBondContact O-CB 3.31Å; E1282-S1285 PolarHBondContact O-N 2.82Å; I1283-S1285 PolarHBondContact O-N 3.23Å; S1285-S1288 PolarHBondContact O-N 2.65Å; S1285-R1289 WeakPolarHBondContact O-CB 3.27Å; S1285-R1289 WeakPolarHBondContact O-CG 3.47Å; S1285-R1289 PolarHBondContact O-N 2.99Å
1286L81Confident74.2Confident48 Ų4876.2 Ų76.225%0.25141%0.409SS..Hα-helixtrans-64.4-45.5176.2-68.9168.9000111.7N1223 E1282 I1283 Q1284 R1289 L1290N1223-L1286 WeakPolarHBondContact ND2-CD1 3.38Å; E1282-L1286 HydrophobicContact CG-CD1 4.29Å; E1282-L1286 WeakPolarHBondContact O-CG 3.46Å; E1282-L1286 PolarHBondContact O-N 2.76Å; I1283-L1286 PolarHBondContact O-N 3.41Å; Q1284-L1286 PolarHBondContact O-N 3.23Å; L1286-R1289 PolarHBondContact O-N 2.94Å; L1286-L1290 WeakPolarHBondContact O-CG 3.41Å; L1286-L1290 PolarHBondContact O-N 3.27Å; L1286-L1290 VanDerWaalsContact O-N 3.09Å
1287A77.2Confident71.4Confident48 Ų4879.5 Ų79.540%0.39744%0.443SS..Hα-helixtrans-63.3-43.4176.200000112.2I1283 Q1284 L1290 K1291I1283-A1287 WeakPolarHBondContact O-CB 3.13Å; I1283-A1287 PolarHBondContact O-N 3.36Å; Q1284-A1287 PolarHBondContact O-N 3.34Å; A1287-L1290 PolarHBondContact O-N 2.86Å; A1287-K1291 WeakPolarHBondContact O-CB 3.2Å; A1287-K1291 PolarHBondContact O-N 3.16Å
1288S76.6Confident68.6Low80 Ų8083 Ų8356%0.55947%0.469SS*.Hα-helixtrans-64.1-40.3176.6-68.20000112.4Q1284 S1285 K1291 G1292Q1284-S1288 VanDerWaalsContact O-CB 3.29Å; Q1284-S1288 WeakPolarHBondContact O-CB 3.25Å; Q1284-S1288 PolarHBondContact O-N 2.74Å; Q1284-S1288 PolarHBondContact O-OG 2.93Å; S1285-S1288 PolarHBondContact O-N 2.65Å; S1288-K1291 PolarHBondContact O-N 2.85Å; S1288-G1292 PolarHBondContact O-N 3.07Å
1289R75.8Confident65.7Low172 Ų17286.6 Ų86.665%0.64948%0.483SS*.Hα-helixtrans-64.1-39.1175.7-74.7170.165.7-158.2-2.3112.2S1285 L1286 L1293S1285-R1289 WeakPolarHBondContact O-CB 3.27Å; S1285-R1289 WeakPolarHBondContact O-CG 3.47Å; S1285-R1289 PolarHBondContact O-N 2.99Å; L1286-R1289 PolarHBondContact O-N 2.94Å; R1289-L1293 WeakPolarHBondContact O-CG 3.23Å; R1289-L1293 PolarHBondContact O-N 3.04Å
1290L68.3Low62.9Low97 Ų9789.6 Ų89.651%0.50851%0.509SS..Hα-helixtrans-68.7-38.1173.6-70.1169.6000112.1L1286 A1287L1286-L1290 WeakPolarHBondContact O-CG 3.41Å; L1286-L1290 PolarHBondContact O-N 3.27Å; L1286-L1290 VanDerWaalsContact O-N 3.09Å; A1287-L1290 PolarHBondContact O-N 2.86Å
1291K65.4Low60.1Low168 Ų16895.5 Ų95.573%0.7355%0.545SS*.Hα-helixtrans-71.7-35.7179.6-161.7166.3-173.3170.50113A1287 S1288 N1294 A1295A1287-K1291 WeakPolarHBondContact O-CB 3.2Å; A1287-K1291 PolarHBondContact O-N 3.16Å; S1288-K1291 PolarHBondContact O-N 2.85Å; K1291-N1294 PolarHBondContact O-N 3.08Å; K1291-A1295 PolarHBondContact O-N 2.81Å
1292G47.4Very low57.2Low26 Ų2696.2 Ų96.227%0.26856%0.56SS.*Hα-helixtrans-63.7-37.2175.500000113.4S1288 N1294 A1295 D1296S1288-G1292 PolarHBondContact O-N 3.07Å; G1292-N1294 PolarHBondContact O-N 3.08Å; G1292-N1294 VanDerWaalsContact O-N 3.1Å; G1292-A1295 PolarHBondContact O-N 3.28Å; G1292-D1296 PolarHBondContact O-N 2.76Å
1293L49.8Very low54.3Low142 Ų14298.7 Ų98.774%0.74359%0.586SS**THydrogen-bonded Turntrans-61-19.1175.5-71.2168.3000113.9R1289R1289-L1293 WeakPolarHBondContact O-CG 3.23Å; R1289-L1293 PolarHBondContact O-N 3.04Å
1294N47.6Very low51.6Low128 Ų128102.3 Ų102.368%0.68462%0.619SS**THydrogen-bonded Turntrans-100.1-2.1173.7-78.5-14.4000113.8K1291 G1292K1291-N1294 PolarHBondContact O-N 3.08Å; G1292-N1294 PolarHBondContact O-N 3.08Å; G1292-N1294 VanDerWaalsContact O-N 3.1Å
1295A42.6Very low49.1Very low63 Ų63105.9 Ų105.952%0.52164%0.644SS.*THydrogen-bonded Turntrans-104.4-38.4-173.900000113.5K1291 G1292 G1297K1291-A1295 PolarHBondContact O-N 2.81Å; G1292-A1295 PolarHBondContact O-N 3.28Å; A1295-G1297 VanDerWaalsContact C-N 3.25Å; A1295-G1297 PolarHBondContact O-N 3.25Å
1296D38.8Very low46.6Very low154 Ų154110.9 Ų110.982%0.82466%0.664SS**THydrogen-bonded Turntrans-85.212.2-174-64.3-34000114G1292G1292-D1296 PolarHBondContact O-N 2.76Å
1297G34.5Very low44.2Very low69 Ų69115.9 Ų115.971%0.71169%0.686SS**THydrogen-bonded Turntrans-91.60.3-175.100000116.3A1295A1295-G1297 VanDerWaalsContact C-N 3.25Å; A1295-G1297 PolarHBondContact O-N 3.25Å
1298S31.7Very low41.8Very low99 Ų99118.6 Ų118.669%0.69270%0.702SS**SBendtrans-10732-164.6-55.70000115.8
1299Q31.2Very low39.6Very low180 Ų180122.7 Ų122.784%0.84172%0.716SS**SBendtrans-166158.5162-109.8141.5101.800112
1300S33.8Very low37.4Very low104 Ų104118.9 Ų118.973%0.72772%0.715SS**  trans74.683.2168-55.60000119.3
1301T31.9Very low35.6Very low129 Ų129122.5 Ų122.579%0.79173%0.73SS**  42.9111.9125.6590000120.7
1302S27.5Very low33.9Very low107 Ų107122.2 Ų122.275%0.74874%0.736SS**SBendtrans27.6133.4131-50.40000121.5
1303S27.5Very low33.2Very low128 Ų128124 Ų12490%0.89574%0.743SS**  trans86.375.8164.6-156.90000117.5
1304A30.7Very low32.2Very low97 Ų97123 Ų12380%0.80275%0.749SS**  trans-146.4131.9151.100000111.3
1305T30.8Very low31.5Very low119 Ų119123 Ų12373%0.7376%0.758SS**  trans-54.7131.6177.4-44.60000112H1307T1305-H1307 PolarHBondContact O-N 3.04Å
1306I29.5Very low30.9Very low170 Ų170128 Ų12887%0.87278%0.775SS**  trans-66.7100.1170.1-58.4176000108.2
1307H29.9Very low30.7Very low154 Ų154128.4 Ų128.471%0.71378%0.776SS**  trans-101.7130.8167.7-85.818.2000109.5T1305 I1309T1305-H1307 PolarHBondContact O-N 3.04Å; H1307-I1309 PolarHBondContact O-N 3.1Å
1308S27.6Very low30.7Very low104 Ų104133 Ų13373%0.72778%0.781SS**  trans-44.9122.3-174.5-480000112.9S1310S1308-S1310 PolarHBondContact O-N 3.11Å
1309I30.1Very low30.6Very low166 Ų166136.2 Ų136.285%0.85178%0.782SS**SBendtrans-74.579.5169-56.1-178.4000108.3H1307H1307-I1309 PolarHBondContact O-N 3.1Å
1310S29.5Very low30.6Very low92 Ų92132.6 Ų132.664%0.64378%0.776SS**  trans-149.2130.9172.4-75.20000106.1S1308S1308-S1310 PolarHBondContact O-N 3.11Å
1311Q30.4Very low30.5Very low174 Ų174133.3 Ų133.381%0.81377%0.771SS**  trans76.664.1-168.5-45.3176.828.700115.5
1312L29.2Very low30.5Very low162 Ų162136.7 Ų136.785%0.84878%0.776SS**  trans-107.272.8148-80.1178.4000110.2
1313S32.9Very low30.8Very low62 Ų62137.9 Ų137.943%0.43477%0.773SS.*SBendtrans-138.9117.9161.961.50000108.5
1314S29.3Very low31Very low123 Ų123136.9 Ų136.986%0.8677%0.766SS**SBendtrans69.993.5178.7-510000116.9
1315C33Very low31.1Very low128 Ų128138.5 Ų138.587%0.86576%0.762SS**  trans-164.4140.2139.8-1180000111.3
1316N28.8Very low31.3Very low166 Ų166140.9 Ų140.989%0.88876%0.764SS**  trans-79.4125.2173.7-68.1-31.1000109.6
1317I35.2Very low31.5Very low163 Ų163139.5 Ų139.584%0.83676%0.758SS**  trans-109.7118.2165.5-64.3-179.2000107.7
1318M34.1Very low31.7Very low167 Ų167138.1 Ų138.182%0.82376%0.756SS**  trans-68.9140174.1-77.5177.4-77.800110.3C1320M1318-C1320 PolarHBondContact O-N 2.83Å
1319K29.4Very low32.1Very low166 Ų166140 Ų14072%0.72276%0.758SS**  trans-64115.3179.3-177.9175.9173.5-178.30110.5D1321K1319-D1321 VanDerWaalsContact CE-CG 3.42Å; K1319-D1321 WeakPolarHBondContact CE-OD1 3.45Å; K1319-D1321 VanDerWaalsContact CE-OD2 3.22Å; K1319-D1321 WeakPolarHBondContact CE-OD2 3.46Å; K1319-D1321 IonicContact NZ-OD1 3.95Å
1320C31.5Very low32.2Very low104 Ų104139.4 Ų139.470%0.70376%0.755SS**  trans-109.993.8171.4-69.40000108.9M1318 F1322M1318-C1320 PolarHBondContact O-N 2.83Å; C1320-F1322 PolarHBondContact O-N 2.89Å; C1320-F1322 VanDerWaalsContact O-N 3.15Å
1321D31.9Very low32.5Very low119 Ų119140.2 Ų140.264%0.63676%0.758SS**  trans-69.9105.4-179.3-67.5-59.7000111.5K1319 N1323K1319-D1321 VanDerWaalsContact CE-CG 3.42Å; K1319-D1321 WeakPolarHBondContact CE-OD1 3.45Å; K1319-D1321 VanDerWaalsContact CE-OD2 3.22Å; K1319-D1321 WeakPolarHBondContact CE-OD2 3.46Å; K1319-D1321 IonicContact NZ-OD1 3.95Å; D1321-N1323 VanDerWaalsContact C-N 3.33Å; D1321-N1323 PolarHBondContact O-N 3.19Å
1322F32.2Very low32.6Very low200 Ų200136.6 Ų136.688%0.87775%0.752SS**  trans-79.484.4166.9-87.3-79.4000110.4C1320 S1324C1320-F1322 PolarHBondContact O-N 2.89Å; C1320-F1322 VanDerWaalsContact O-N 3.15Å; F1322-S1324 PolarHBondContact O-N 2.97Å
1323N33.7Very low32.9Very low131 Ų131133.4 Ų133.470%0.70174%0.743SS**  trans-6594.8171.6-176.96.9000110.6D1321 N1325D1321-N1323 VanDerWaalsContact C-N 3.33Å; D1321-N1323 PolarHBondContact O-N 3.19Å; N1323-N1325 PolarHBondContact O-N 3.02Å
1324S31.2Very low33Very low107 Ų107136.2 Ų136.275%0.74875%0.753SS**  trans-77.7103.8172.8-170.30000109.7F1322F1322-S1324 PolarHBondContact O-N 2.97Å
1325N33Very low33.4Very low132 Ų132133.7 Ų133.771%0.70673%0.73SS**  trans-130.795.5-176.8-145-3.1000110.3N1323 N1327N1323-N1325 PolarHBondContact O-N 3.02Å; N1325-N1327 PolarHBondContact O-N 3.37Å
1326H34.7Very low33.4Very low169 Ų169132.6 Ų132.678%0.78272%0.724SS**  trans-69.5119.6173.5-86-79.7000110.8
1327N34Very low33.6Very low140 Ų140127.7 Ų127.775%0.74971%0.712SS**  trans-158.5101.1146.5-121.2-38.5000113.5N1325N1325-N1327 PolarHBondContact O-N 3.37Å
1328N34.8Very low33.4Very low126 Ų126124.7 Ų124.767%0.67471%0.706SS**  trans36.1137.8132.7-56.1-38.3000122.4
1329N34.5Very low33.2Very low142 Ų142123.6 Ų123.676%0.75970%0.704SS**  trans72.295.2155.3-54.8-11.1000117.8
1330I33Very low33.1Very low154 Ų154123.9 Ų123.979%0.7971%0.707SS**  51.5125.174.3-60.7179.1000113.1
1331P35Very low33.2Very low109 Ų109125.9 Ų125.971%0.70871%0.71SS**  cis-139.4-163.6-19.235.6-13.2000114.2
1332S32.9Very low33Very low99 Ų99127 Ų12769%0.69272%0.715SS**  trans118127.6141.4-59.40000120.1
1333S35.5Very low33.1Very low94 Ų94124.5 Ų124.566%0.65771%0.709SS**  trans59.8108139.761.70000122.5
1334D35.3Very low32.8Very low121 Ų121121.4 Ų121.465%0.64771%0.708SS**  99.4107.4110.4-64-6.9000124.3
1335L37.1Very low32.9Very low70 Ų70123.4 Ų123.437%0.36671%0.709SS.*  78.685.7121.3-75.3147.2000121.4H441 P442H441-L1335 PolarHBondContact CE1-O 3.31Å; H441-L1335 PolarHBondContact ND1-O 3.28Å; P442-L1335 HydrophobicContact CB-CB 4.18Å; P442-L1335 WeakPolarHBondContact CG-O 3.29Å
1336S33.6Very low32.8Very low106 Ų106124.5 Ų124.574%0.74172%0.715SS**  59.6179.2116.3170.10000119.2H441H441-S1336 VanDerWaalsContact CE1-C 3.45Å; H441-S1336 WeakPolarHBondContact CE1-CB 3.15Å; H441-S1336 PolarHBondContact CE1-OG 3.3Å; H441-S1336 VanDerWaalsContact CE1-OG 3.3Å; H441-S1336 PolarHBondContact NE2-OG 3.32Å
1337G33Very low32.7Very low62 Ų62120.5 Ų120.564%0.63971%0.711SS**  trans133.776.2160.600000116.3
1338S31.8Very low32.8Very low101 Ų101119.6 Ų119.671%0.70671%0.711SS**  trans-85.2163.1-179.9-52.50000114.7
1339N29.1Very low32.8Very low144 Ų144118.9 Ų118.977%0.7771%0.711SS**  trans104.5146149.2-52.2-41.1000119.4
1340H28.6Very low32.9Very low171 Ų171118.8 Ų118.879%0.79271%0.711SS**  trans47.2118.1164.6-66.8-78.4000117.6
1341L32.1Very low33Very low147 Ų147117.1 Ų117.177%0.7770%0.704SS**  -156.8161.772.3-128.5101.2000115.9
1342L27.9Very low33.1Very low143 Ų143118 Ų11875%0.74970%0.702SS**  trans-42.3175.2161.6-73144.7000117.6
1343I33.6Very low33.2Very low146 Ų146120.1 Ų120.175%0.74971%0.706SS**  trans88.8106166.5-54.3148.7000113.9
1344G27.9Very low32.8Very low66 Ų66121.4 Ų121.468%0.6871%0.713SS**  trans-95.1-163.3161.300000110.8
1345I33.3Very low32.7Very low150 Ų150119.9 Ų119.977%0.76972%0.718SS**  trans-169.9138.8160.7-104.9148.1000113
1346N31.2Very low32.5Very low155 Ų155122 Ų12283%0.82974%0.738SS**  trans74.1149.5154.4-86.7-17.1000126
1347A32.9Very low32.5Very low84 Ų84123.2 Ų123.269%0.69474%0.743SS**  trans79.9127.3149.600000118.7
1348T35.8Very low32.7Very low122 Ų122126 Ų12675%0.74875%0.754SS**  cis-156.3138-0.2-6.30000114.1
1349T35.6Very low32.7Very low111 Ų111128.5 Ų128.568%0.68176%0.758SS**  trans41.6112.5146.750.10000122
1350N35.5Very low33Very low139 Ų139127.3 Ų127.374%0.74376%0.758SS**  152.4147.5109-85.9-27.3000113
1351N35.8Very low33.1Very low120 Ų120126.2 Ų126.264%0.64276%0.757SS**  cis-165.4148.6-33.9-138.9-10.8000109.5
1352N36.1Very low33.2Very low127 Ų127124.3 Ų124.368%0.67975%0.754SS**  trans56116.4161.8-59.5-36000119
1353N35.3Very low33.5Very low144 Ų144124.3 Ų124.377%0.7775%0.753SS**  90.5122.765-98.2-16.5000115.3
1354C27.2Very low33.3Very low121 Ų121125.2 Ų125.282%0.81876%0.758SS**  trans28.6148.7148.6-670000124
1355A33.4Very low33.7Very low89 Ų89127.9 Ų127.974%0.73676%0.761SS**  trans104.1105148.900000118.8
1356S32.4Very low33.8Very low113 Ų113126.1 Ų126.179%0.7976%0.757SS**  trans74144.4136.7-56.60000120.2
1357P34.8Very low34.1Very low132 Ų132124.6 Ų124.686%0.85775%0.754SS**  trans-85.3134-177.733.8-33.9000112.4
1358S36.3Very low34.2Very low122 Ų122127 Ų12785%0.85376%0.76SS**  trans-150.4138.9157.345.90000111.4
1359L31.5Very low34.1Very low152 Ų152125.2 Ų125.280%0.79676%0.758SS**  trans-69.7158.4167.3-73164.6000108.9
1360P35.6Very low34Very low120 Ų120126.1 Ų126.178%0.77976%0.763SS**  cis-147.4161.236.943.8-24.6000119
1361L30.2Very low33.9Very low148 Ų148124.2 Ų124.278%0.77576%0.761SS**  trans-67.7151.6149.4-78.496.7000108.8
1362P36.1Very low33.8Very low107 Ų107124.7 Ų124.770%0.69577%0.768SS**  -161.9-177.764.445.1-23.3000119.6
1363I33.2Very low33.7Very low143 Ų143124.9 Ų124.973%0.73378%0.777SS**  trans65.283.5150.6-67.4151.9000118.7
1364I30.4Very low33.4Very low164 Ų164122 Ų12284%0.84177%0.773SS**  13.1110119.4-49.6174000117.9
1365T35.4Very low33.5Very low122 Ų122123.7 Ų123.775%0.74877%0.774SS**  trans-163.7155.3148.229.40000106.2
1366T35.8Very low33.5Very low113 Ų113125.5 Ų125.569%0.69378%0.776SS**  cis-159.7157.45.30.20000108
1367T37.6Very low33.4Very low123 Ų123126.1 Ų126.176%0.75578%0.775SS**  trans49.2138.2152.854.30000120.1
1368T34.2Very low33.3Very low135 Ų135126.6 Ų126.683%0.82877%0.774SS**  cis-159.3155.820.226.10000108
1369A33.2Very low33.1Very low85 Ų85126 Ų12670%0.70277%0.766SS**  cis-151.7165.7-2.400000111.9
1370T33.8Very low33.2Very low129 Ų129124.4 Ų124.479%0.79176%0.763SS**  trans-23.5151.9163.249.40000119.4
1371S32.9Very low33Very low100 Ų100124.3 Ų124.370%0.69976%0.76SS**  cis-170.8145.8-9.746.70000113.7
1372T34Very low33.3Very low130 Ų130123.4 Ų123.480%0.79876%0.756SS**  trans-19.5149.1146.944.50000117.5
1373P33.5Very low33.2Very low131 Ų131124.2 Ų124.285%0.85175%0.754SS**  -141.5163.88040.1-25.5000117.4
1374A30.2Very low33.5Very low84 Ų84125.5 Ų125.569%0.69476%0.757SS**  trans-135.9156160.500000109.5
1375N29.5Very low33.8Very low156 Ų156122.1 Ų122.183%0.83475%0.747SS**  trans72.4149.6169-60.5-16.5000120
1376T33.5Very low33.8Very low126 Ų126121.1 Ų121.177%0.77375%0.745SS**  trans9389.9154.4-30.50000118.1
1377V29.7Very low34.1Very low127 Ų127123 Ų12377%0.7775%0.751SS**  17.6119.9124.2-172.70000117.1
1378V32.9Very low34Very low141 Ų141126.6 Ų126.686%0.85578%0.782SS**  -163.1152.2119.6138.20000111.3
1379T32.3Very low34Very low110 Ų110126.2 Ų126.268%0.67578%0.779SS**  trans-81156.3-167.4-310000114.7
1380T32.6Very low34.1Very low118 Ų118128.4 Ų128.472%0.72478%0.783SS**  trans85.5131.6142.713.40000123.7
1381V32.7Very low34.1Very low119 Ų119128.3 Ų128.372%0.72178%0.783SS**  trans58.6133.1151.3-850000125.3
1382N36Very low34.1Very low129 Ų129130 Ų13069%0.6979%0.788SS**  trans71.3111.8136.8-70.9-0.3000122.6
1383N33.9Very low34.1Very low124 Ų124130 Ų13066%0.66379%0.787SS**  54.6142.2119.5-61.64.4000122.2
1384H38.6Very low34.2Very low170 Ų170129.9 Ų129.979%0.78778%0.783SS**  trans72.3142.8164.3-54.6-57.6000115.7
1385S36.5Very low34.5Very low92 Ų92133.2 Ų133.264%0.64379%0.789SS**  cis-166.6165-16.7-98.80000108.8
1386S36.2Very low34.9Very low101 Ų101131.5 Ų131.571%0.70679%0.786SS**  trans76.7154.1154.4-50.60000120.5
1387D42.6Very low35Very low152 Ų152131.9 Ų131.981%0.81379%0.787SS**  trans66.663.7148.9-50.9-23.4000120.8
1388S35.8Very low35.5Very low200 Ų200132.4 Ų132.4100%1.39979%0.789SS**  -171.70101.825.90000113.4

Retrieved 1,388 of 1,388 residues in 361.3 ms (Link to these results)