A0A087X7E4_POEFO Loading...

Centrosomal protein 68

AlphaFold DB , UniProt , Accession A0A087X7E4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 634 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32Very low29.8Very low240 Ų240158 Ų158100%1.18285%0.846SS**  0113.80-62.2172.1-173.800106.2
2H34.2Very low29.7Very low172 Ų172160.1 Ų160.180%0.79684%0.842SS**  75.9105.386.4-139.7-64.3000112
3L28.8Very low29.8Very low152 Ų152160.1 Ų160.180%0.79684%0.842SS**  172.5118.3129-91.2163.9000113.7
4S30.7Very low29.8Very low106 Ų106155.1 Ų155.174%0.74184%0.835SS**  trans24.7128.8136.4-45.80000122
5T29.3Very low29.7Very low152 Ų152151.7 Ų151.793%0.93384%0.837SS**  trans-93152.9163.8480000112.7
6L29.2Very low29.9Very low164 Ų164153.9 Ų153.986%0.85984%0.839SS**  trans-122.3118.2-169.8-173.672.7000113.8
7K31.6Very low29.8Very low178 Ų178154.1 Ų154.177%0.77484%0.839SS**  trans29.5110139.4-143.2177.2-168.8176.80120.3
8R28.2Very low29.9Very low219 Ų219148.8 Ų148.883%0.82683%0.826SS**  trans47.9132.1142.4-79.1-173.7173.3155.90.4122
9S27.5Very low30Very low119 Ų119145.2 Ų145.283%0.83283%0.826SS**  -141.4162.9126.359.80000109.9
10N27.4Very low30Very low133 Ų133148.9 Ų148.971%0.71183%0.826SS**  trans-110.7152.9-176.1-73.71000111.9
11A29.3Very low30Very low103 Ų103150.4 Ų150.485%0.85183%0.827SS**  trans-128.3163.9155.900000109.1
12F28.3Very low30Very low183 Ų183147.8 Ų147.880%0.80381%0.812SS**  trans-139.5158.8-167.6-130.1-86.5000112.2
13L31.3Very low29.9Very low160 Ų160144.4 Ų144.484%0.83881%0.814SS**  trans75.6146.4177.1-50.6173.2000116.9
14A29.1Very low29.9Very low91 Ų91146.4 Ų146.475%0.75282%0.819SS**  cis-172.1125.3-29.900000110.4
15A28.5Very low29.9Very low104 Ų104145.8 Ų145.886%0.8682%0.82SS**  trans-168157.9154.800000110.3
16Q33.1Very low30.1Very low186 Ų186145.1 Ų145.187%0.86982%0.816SS**  trans-104.3176.6178.8-57.4165-27.800109
17D28.8Very low30.3Very low158 Ų158143.9 Ų143.985%0.84582%0.815SS**  cis-158.7176.713.3-164.315.6000111.5
18G30.4Very low30.3Very low59 Ų59143.3 Ų143.361%0.60882%0.82SS**  trans104.2115.6147.300000117.2
19G31.3Very low30.5Very low79 Ų79135.9 Ų135.981%0.81481%0.811SS**  trans-64.2141.9174.600000113
20R31.2Very low30.7Very low219 Ų219137.9 Ų137.983%0.82681%0.808SS**  89.2107.558.3-169.5-177.2-161-82.12.1111.4
21E29.2Very low31.4Very low181 Ų181140.4 Ų140.485%0.84682%0.815SS**  trans-70.3159.9178.4-56155.4137.400112.3
22E31.6Very low31.9Very low186 Ų186142.9 Ų142.987%0.86981%0.809SS**  trans-138.8149.1155-154158.7-112.900108.9
23A32.1Very low33Very low101 Ų101143.7 Ų143.784%0.83581%0.812SS**  trans-92.5150.7-149.100000116.1
24E29.3Very low33.4Very low194 Ų194141.5 Ų141.591%0.90781%0.81SS**  trans-74.8145.5172.2-58.7-174.6118.300113
25A31.4Very low34.2Very low92 Ų92143.3 Ų143.376%0.7681%0.811SS**  trans-153.171.5165.700000112.2
26T32.9Very low35.3Very low138 Ų138144.9 Ų144.985%0.84781%0.81SS**  trans26.9110.6154.156.50000119.3
27V32.7Very low36.4Very low138 Ų138143.1 Ų143.184%0.83681%0.805SS**  trans-89124.6163.2172.20000110.5
28N32.5Very low37.4Very low167 Ų167139.5 Ų139.589%0.89380%0.798SS**  trans-95.7120.3157.5-86.7-21000108.6
29G31.5Very low38.1Very low62 Ų62142.5 Ų142.564%0.63981%0.806SS**  trans-99.3108.8-175.900000113.5
30E32Very low38.7Very low161 Ų161147.7 Ų147.775%0.75281%0.806SS**  trans-83128.3163.1-72.4-165.7102.300111H32E30-H32 PolarHBondContact O-N 2.96Å; E30-H32 IonicContact OE2-CE1 2.74Å
31H42.7Very low39.2Very low187 Ų187143 Ų14387%0.86680%0.802SS**  trans-81.578.6179.1-66.2-64.3000112.2K33H31-K33 PolarHBondContact O-N 3.09Å
32H39.1Very low40.3Very low155 Ų155142.3 Ų142.372%0.71880%0.799SS**PPolyproline II helixtrans-69123.6170.7-64.3-34.4000111.7E30 S34E30-H32 PolarHBondContact O-N 2.96Å; E30-H32 IonicContact OE2-CE1 2.74Å; H32-S34 PolarHBondContact O-N 3.24Å
33K52.1Low40.9Very low200 Ų200143.1 Ų143.187%0.8780%0.795SS**PPolyproline II helixtrans-76.1116.9176-61.9170.6-176.4173.30109.4H31H31-K33 PolarHBondContact O-N 3.09Å
34S39.4Very low41.6Very low114 Ų114145.5 Ų145.580%0.79779%0.791SS**PPolyproline II helixtrans-77135.1175.346.10000111.5H32H32-S34 PolarHBondContact O-N 3.24Å
35V47.2Very low42.6Very low129 Ų129142.8 Ų142.878%0.78279%0.788SS**  trans-104.6112.8173.5177.20000108.7I37V35-I37 PolarHBondContact O-N 3.11Å
36T50.2Low43.3Very low136 Ų136144.8 Ų144.883%0.83479%0.786SS**PPolyproline II helixtrans-75.4117.3178-540000110.4
37I57.6Low44.2Very low149 Ų149146.6 Ų146.676%0.76478%0.777SS**PPolyproline II helixtrans-98.3135.3170.8-61.1-179.6000108.8V35V35-I37 PolarHBondContact O-N 3.11Å
38A48.3Very low44.9Very low83 Ų83148 Ų14869%0.68677%0.774SS**PPolyproline II helixtrans-64.6143.9-178.800000112.4
39P45.5Very low45.4Very low121 Ų121149.7 Ų149.779%0.78677%0.769SS**PPolyproline II helixtrans-68.7143.6-179.928.7-35.1000112T41P39-T41 PolarHBondContact O-N 2.98Å
40K43.4Very low46.6Very low188 Ų188153.1 Ų153.182%0.81778%0.777SS**PPolyproline II helixtrans-71.4121.8175-71.1-178176.9179.30110.6H42K40-H42 PolarHBondContact O-CD2 2.93Å; K40-H42 PolarHBondContact O-N 2.73Å
41T42.3Very low47.4Very low121 Ų121154.3 Ų154.374%0.74278%0.783SS**  trans-77.2107.9176.749.90000111.2P39 Y43P39-T41 PolarHBondContact O-N 2.98Å; T41-Y43 VanDerWaalsContact C-N 3.29Å; T41-Y43 PolarHBondContact O-N 3.01Å
42H51.6Low47.8Very low166 Ų166156.5 Ų156.577%0.76978%0.784SS**  trans-79.869.4177.8-75.1-95.3000112.3K40K40-H42 PolarHBondContact O-CD2 2.93Å; K40-H42 PolarHBondContact O-N 2.73Å
43Y45Very low48.8Very low203 Ų203158.1 Ų158.180%0.79679%0.789SS**  trans-130.164178.4-75.6-73.2000112.8T41T41-Y43 VanDerWaalsContact C-N 3.29Å; T41-Y43 PolarHBondContact O-N 3.01Å
44M46.6Very low48.7Very low152 Ų152153.7 Ų153.775%0.74978%0.78SS**  trans-155.163.4163.8-86.2-57.3136.100109.7
45T51.5Low49.2Very low137 Ų137156.1 Ų156.184%0.8478%0.784SS**  trans-105-7.9-176.3-250000113.6
46D46Very low48.9Very low134 Ų134159 Ų15972%0.71779%0.786SS**  trans-123.574-173.8-163.53.2000111.5H48D46-H48 IonicContact OD1-CD2 3.21Å
47R50.5Low48.6Very low175 Ų175159.1 Ų159.166%0.6679%0.787SS**  trans-138.490.5168.2-74.9-167.7177.8-165.3-1.3109.4Y49R47-Y49 HydrophobicContact CB-CE2 4.38Å; R47-Y49 WeakPolarHBondContact O-CD2 3.34Å; R47-Y49 PolarHBondContact O-N 3.23Å
48H48.2Very low48.4Very low168 Ų168161.2 Ų161.278%0.77879%0.793SS**  trans-66.696.7171.9-69.8-66.4000111D46 V50D46-H48 IonicContact OD1-CD2 3.21Å; H48-V50 PolarHBondContact O-N 3.1Å
49Y42.3Very low48.5Very low203 Ų203164.8 Ų164.880%0.79680%0.796SS**  trans-6898.8170.8-74-84.9000110.4R47 Q51R47-Y49 HydrophobicContact CB-CE2 4.38Å; R47-Y49 WeakPolarHBondContact O-CD2 3.34Å; R47-Y49 PolarHBondContact O-N 3.23Å; Y49-Q51 PolarHBondContact O-N 3.12Å; Y49-Q51 VanDerWaalsContact O-N 3.08Å
50V56.8Low48.3Very low133 Ų133166.5 Ų166.581%0.80679%0.793SS**  trans-68.8105.4170.6-179.90000108.8H48 R52H48-V50 PolarHBondContact O-N 3.1Å; V50-R52 PolarHBondContact O-N 3Å; V50-R52 VanDerWaalsContact O-N 3.13Å
51Q48.6Very low48.1Very low186 Ų186169.2 Ų169.287%0.86980%0.798SS**  trans-67.5109.1-177.8-159.5173.928.300110.1Y49Y49-Q51 PolarHBondContact O-N 3.12Å; Y49-Q51 VanDerWaalsContact O-N 3.08Å
52R52.4Low47.8Very low234 Ų234169.1 Ų169.188%0.88380%0.797SS**PPolyproline II helixtrans-67.2133.3176.5-72.2-176.9172-179.3-3.1109.8V50V50-R52 PolarHBondContact O-N 3Å; V50-R52 VanDerWaalsContact O-N 3.13Å
53K59Low47.2Very low188 Ų188166 Ų16682%0.81779%0.794SS**PPolyproline II helixtrans-62.1133.5172.5-66.6-176.7178.2-1780109.5
54P51.1Low47Very low107 Ų107164.7 Ų164.770%0.69580%0.799SS**PPolyproline II helixtrans-66.6133.1171.528.2-33.2000109.9F56P54-F56 PolarHBondContact O-N 3.48Å; P54-F56 VanDerWaalsContact O-N 3.09Å
55L49Very low46.6Very low166 Ų166164.4 Ų164.487%0.86980%0.8SS**SBendtrans-86.247.6179.5-68.6174.9000112
56F41.8Very low45.9Very low190 Ų190167.5 Ų167.583%0.83380%0.802SS**  trans-133.3115.3176-63.3-69.8000109.5P54P54-F56 PolarHBondContact O-N 3.48Å; P54-F56 VanDerWaalsContact O-N 3.09Å
57T44Very low45.4Very low138 Ų138171.4 Ų171.485%0.84781%0.812SS**  trans-71.1155.7170.343.10000110.8E59T57-E59 PolarHBondContact O-N 3.3Å
58E51.7Low44.5Very low192 Ų192170.6 Ų170.690%0.89782%0.82SS**SBendtrans-8177.6-168-171.9159.2-156.600113
59E50.7Low44Very low159 Ų159168.3 Ų168.374%0.74382%0.82SS**  trans-144.5152.2167.7-147161.1-16100111.5T57T57-E59 PolarHBondContact O-N 3.3Å
60H41.8Very low43.3Very low156 Ų156167.9 Ų167.972%0.72283%0.825SS**  trans59.260.9178.2-56.3-69.5000118.5V62H60-V62 HydrophobicContact CB-CG2 4.49Å; H60-V62 PolarHBondContact O-N 3.08Å; H60-V62 VanDerWaalsContact O-N 3.12Å
61R39Very low42Very low245 Ų245170.3 Ų170.393%0.92583%0.83SS**  trans-74.589.1152.7-75.8-170.6178.9-171.82.9111
62V37.4Very low41.2Very low119 Ų119170.4 Ų170.472%0.72183%0.831SS**  trans-88.8107.9171.9-170.10000109.9H60 I64H60-V62 HydrophobicContact CB-CG2 4.49Å; H60-V62 PolarHBondContact O-N 3.08Å; H60-V62 VanDerWaalsContact O-N 3.12Å; V62-I64 PolarHBondContact O-N 3.13Å
63S37.1Very low40.1Very low102 Ų102167.4 Ų167.471%0.71383%0.827SS**  trans-75.8111.6-177.954.80000112.4L65S63-L65 PolarHBondContact O-N 3.36Å
64I42.6Very low39Very low174 Ų174164.2 Ų164.289%0.89283%0.825SS**  trans-81.963.4177.8-45.6177.8000110.3V62V62-I64 PolarHBondContact O-N 3.13Å
65L37.8Very low37.9Very low147 Ų147163.8 Ų163.877%0.7783%0.825SS**  trans-149.4129.8175.8-111.9167.6000111S63S63-L65 PolarHBondContact O-N 3.36Å
66K37.1Very low36.8Very low202 Ų202159.8 Ų159.888%0.87882%0.824SS**  trans64112.2-172.5-61.8-178.5175.3-179.30115.6
67K33.9Very low36.2Very low215 Ų215158.9 Ų158.994%0.93583%0.826SS**  trans-113.6126.2142-79.7-164.9172.4-168.40108.6
68L32.4Very low35.3Very low158 Ų158158.5 Ų158.583%0.82782%0.824SS**  trans-113.1137.7154.9-172.973.6000105E70L68-E70 PolarHBondContact O-N 3.28Å
69P38.2Very low34.1Very low120 Ų120157.2 Ų157.278%0.77982%0.82SS**  trans-76.2121.5-179.129.5-32.5000110.6
70E26.9Very low33.1Very low195 Ų195157.8 Ų157.891%0.91182%0.82SS**  trans-82.1150.7158.6-68.5-178.5142.800109.4L68L68-E70 PolarHBondContact O-N 3.28Å
71M30.3Very low32.3Very low184 Ų184157.9 Ų157.991%0.90682%0.821SS**  trans-114.1133.6172.9-174.6178.37500107.3
72E30.4Very low31.5Very low188 Ų188156.7 Ų156.788%0.87982%0.817SS**  trans-68.1153-171.4-63.1-175.7129.200113.4
73E30.6Very low31Very low171 Ų171156.6 Ų156.680%0.79982%0.816SS**  trans-65.9167.8174.9-75.8-157.8153.400113.4S75E73-S75 PolarHBondContact OE2-N 2.66Å
74P34.4Very low30.4Very low121 Ų121158.5 Ų158.579%0.78682%0.818SS**  -128.5105.9114.435.3-29.6000115
75S27.8Very low30.7Very low98 Ų98155.8 Ų155.869%0.68581%0.812SS**  trans29114.6130.353.30000119.7E73E73-S75 PolarHBondContact OE2-N 2.66Å
76G26.7Very low30.7Very low82 Ų82154.7 Ų154.785%0.84581%0.813SS**  trans-175.890.7171.700000116.9
77L29.1Very low30.2Very low171 Ų171153.2 Ų153.290%0.89581%0.809SS**  trans-40.2133.8174.5-65.6156.3000116.7
78T25Very low29.8Very low129 Ų129148.2 Ų148.279%0.79180%0.797SS**  150.4106.6118.5-59.20000115.9
79M26Very low29.5Very low165 Ų165149.6 Ų149.681%0.81380%0.799SS**  trans26.8134.4139.2-141.5-164-168.100123.7
80K29.8Very low28.8Very low171 Ų171147.6 Ų147.674%0.74380%0.801SS**  trans112.592.5146.6-61.9-175.6-177.4175.20120.5
81Q24.6Very low28.8Very low159 Ų159146.8 Ų146.874%0.74380%0.801SS**  52.5129.7110.6-158-175.9-11.700122.5
82W23.7Very low28.5Very low220 Ų220142.9 Ų142.983%0.83379%0.793SS**  trans84.6123.7153.9-131.4-109.4000120.6
83V25.7Very low28.5Very low117 Ų117140.1 Ų140.171%0.70978%0.783SS**  trans122.8111.8138.3177.60000116.3
84N25.3Very low28.4Very low141 Ų141141.5 Ų141.575%0.75478%0.781SS**  trans-82.9-173.9162.4-57.2-63.1000111.3
85P48.9Very low28.1Very low117 Ų117140.8 Ų140.876%0.7677%0.771SS**  -109.3-174.3-111.537.7-18.4000112.9
86P38.2Very low28.3Very low124 Ų124143.7 Ų143.781%0.80578%0.778SS**  -152.6-167.393.941.4-22.2000115.6
87Q27.1Very low28.5Very low171 Ų171145.1 Ų145.180%0.79977%0.774SS**  trans-60.1154.6178.5-55160.2-15.100114.5
88T24.6Very low28.5Very low111 Ų111144.6 Ų144.668%0.68177%0.772SS**  174.4153.2107.130.40000115.3
89H26.1Very low29Very low186 Ų186144.5 Ų144.586%0.86177%0.773SS**  trans42.4135.9153.7-51.5-48.7000123.3
90G23.6Very low29.1Very low79 Ų79143.1 Ų143.181%0.81477%0.774SS**  trans171.295.1163.200000116.2
91L27.1Very low29.1Very low177 Ų177139.3 Ų139.393%0.92778%0.775SS**  trans-50.2158.5169.5-46.2163.4000111.6
92S24.7Very low29.4Very low103 Ų103137.8 Ų137.872%0.7278%0.782SS**  cis-170.4-157.724.9-155.80000107.9
93L28.6Very low29.6Very low129 Ų129130 Ų13068%0.67577%0.77SS**  cis-164.7130.13-170.1119.6000110.5
94R30Very low29.7Very low201 Ų201134.2 Ų134.276%0.75878%0.782SS**  trans61.8160.1164.2-68.6-175-179.1-81.1-1.7118.1
95D28.1Very low30Very low106 Ų106137 Ų13757%0.56779%0.787SS**  cis-164.4174.7-19.3-95.3-14.5000105.9
96L32.1Very low29.9Very low159 Ų159136.4 Ų136.483%0.83278%0.783SS**  cis-118-125.47.7-76.5168000111.2
97S30.1Very low29.3Very low111 Ų111136.1 Ų136.178%0.77678%0.784SS**  trans-156.7156.8-170.3-440000115.3
98L29.1Very low29.4Very low160 Ų160133.5 Ų133.584%0.83879%0.785SS**  trans-93.7157.2144.6-106.276.6000109.3
99P35.8Very low29.6Very low128 Ų128134.7 Ų134.783%0.83179%0.792SS**  trans-78.2172.7-175.932.2-35.7000114.7
100T28.1Very low29.6Very low136 Ų136130.5 Ų130.583%0.83478%0.784SS**  trans-128.8173.7-151-44.20000113.6
101A30.6Very low29.9Very low91 Ų91133.7 Ų133.775%0.75278%0.781SS**  trans82.6148.1163.100000116.3
102S29.6Very low30.1Very low127 Ų127131.9 Ų131.989%0.88878%0.777SS**  cis-146.6164.4-7.3-138.60000107
103G29.2Very low30.8Very low57 Ų57131.7 Ų131.759%0.58877%0.773SS**  cis146.3137.410.500000108.1
104E27.6Very low30.7Very low205 Ų205132.2 Ų132.296%0.95877%0.772SS**  trans73154.4173.3-52.9-164.4140.600120.1
105K31.6Very low30.5Very low200 Ų200132.6 Ų132.687%0.8777%0.773SS**  trans-168.6173.7-169.4-126.1-174.3-178.1177.50104.6
106P46.5Very low30.4Very low104 Ų104133.7 Ų133.768%0.67579%0.788SS**  cis-129177.9-18.240.1-25.7000112.1
107S26.2Very low30.2Very low117 Ų117135.2 Ų135.282%0.81879%0.79SS**  166.5154.7120.4-75.70000113.1
108S28.8Very low30.1Very low116 Ų116141.7 Ų141.781%0.81180%0.798SS**  trans-76156.7179.2-440000113.1
109T28.6Very low30.1Very low136 Ų136142.6 Ų142.683%0.83480%0.798SS**  -167152.8118.9-76.30000110.4
110S26.3Very low30.5Very low98 Ų98141.8 Ų141.869%0.68579%0.793SS**  trans-63.5152.2176.2-177.60000113.3
111I29Very low31.1Very low147 Ų147141 Ų14175%0.75479%0.79SS**  177.8143.6123.7-90.7153.9000110.3
112V32.3Very low31Very low139 Ų139142.8 Ų142.884%0.84280%0.797SS**  trans-125.8130.9167.4167.40000107
113P38.1Very low30.9Very low99 Ų99140.5 Ų140.564%0.64379%0.793SS**  -148.7150.7123.435.4-18000117.1
114E27.3Very low30.9Very low140 Ų140146 Ų14665%0.65481%0.808SS**  trans60.1122.5142.4-67.5-160.293.100125.2
115R26.2Very low30.8Very low208 Ų208142.7 Ų142.779%0.78580%0.802SS**  41.9127.8124.7-59.6-177.9170.7140.1-13.6120.2
116C25Very low30.6Very low130 Ų130141.9 Ų141.988%0.87880%0.799SS**  -168.8162.8100-94.80000113.2
117H29.1Very low29.8Very low190 Ų190145.8 Ų145.888%0.8881%0.808SS**  trans-81.6144.1176.1-67.6-103.9000112.4
118R27.3Very low29.7Very low248 Ų248143.7 Ų143.794%0.93681%0.805SS**  trans-164.1124.1142.2-123.3179.1175.4157.40.8114.5
119E28.1Very low29.9Very low178 Ų178150.3 Ų150.383%0.83281%0.812SS**  trans-96.6179.4150.7-78.7-170.3144.500108.9
120P44.8Very low30Very low112 Ų112149.8 Ų149.873%0.72781%0.814SS**  cis-120.4-144.6-14.641.9-25.1000108.3
121P40Very low30.1Very low119 Ų119150.3 Ų150.377%0.77382%0.824SS**  cis-128.8-176.4-18.839.3-21000115.3
122S29.7Very low30.2Very low129 Ų129151.2 Ų151.290%0.90283%0.825SS**  trans-56.7146-174.5-44.50000117.9
123G27.5Very low30Very low79 Ų79154.2 Ų154.281%0.81482%0.821SS**  trans-156.2130.5161.800000111
124L28.1Very low29.5Very low173 Ų173153.9 Ų153.991%0.90682%0.821SS**  trans-88.8144.3-171.6-72.2161.7000113.3
125T26.2Very low29.4Very low134 Ų134156.1 Ų156.182%0.82283%0.829SS**  -167.3153.6129.5-75.10000110.1
126F27.3Very low29.6Very low184 Ų184151.9 Ų151.981%0.80783%0.831SS**  trans-62.8168.7179.5-62.6-92.8000113.2
127H29.6Very low29.6Very low185 Ų185151.5 Ų151.586%0.85683%0.83SS**  cis-165.3148.228-144.729.1000109.5
128G25.2Very low29.5Very low74 Ų74147.8 Ų147.876%0.76383%0.825SS**  trans162.766.217300000121.1
129R31.8Very low29.6Very low255 Ų255143.7 Ų143.796%0.96282%0.82SS**  trans16.6104.1156.5-60.4179.7-179-130.6-0.5120.1
130S30.7Very low29.8Very low125 Ų125142.5 Ų142.587%0.87482%0.819SS**  -166.4115.3129.2-1710000109.8
131A28.1Very low28.9Very low108 Ų108145.7 Ų145.789%0.89382%0.824SS**  trans-109.5103.2-176.500000110.9
132Q31.6Very low28.6Very low167 Ų167145.5 Ų145.578%0.7882%0.821SS**  trans-97.1163.5169.7-164.4-171.314.800109.6
133R27.9Very low28.7Very low202 Ų202148 Ų14876%0.76282%0.818SS**  trans89.5120.6162.5-61.9-178.7165.8169.7-4.8118.8
134S28.8Very low29Very low91 Ų91149.6 Ų149.664%0.63682%0.817SS**  63.4161.9120.1-44.60000118.9
135F25.3Very low29.3Very low187 Ų187149 Ų14982%0.8281%0.813SS**  cis-136.3-175.714.9-79.2-87.7000112.5
136S30.3Very low29.7Very low119 Ų119149.6 Ų149.683%0.83281%0.811SS**  trans-53.5145.3175.2-37.50000115.4
137S23.9Very low30.4Very low123 Ų123146 Ų14686%0.8681%0.806SS**  trans-161.4143.7141.753.80000111.2
138S27Very low30.7Very low111 Ų111143.2 Ų143.278%0.77681%0.805SS**  trans-98.4139.2163.5172.60000108.9
139I29.6Very low31.3Very low162 Ų162147.7 Ų147.783%0.83181%0.81SS**  trans-173157.2131.7-100.6160.7000110.7
140L31.7Very low31.5Very low153 Ų153146.9 Ų146.980%0.80181%0.807SS**  trans-64.4144.8-176.5-60.9158.1000113.7
141E27.7Very low31.6Very low180 Ų180146.3 Ų146.384%0.84180%0.8SS**  trans-135.8140.2133.7-169.8164.3-152.400109.1
142V33.2Very low31.8Very low115 Ų115149.5 Ų149.570%0.69780%0.797SS**  trans-107.3124.5-173.8173.20000109.6
143Q32.2Very low31.8Very low181 Ų181149.7 Ų149.785%0.84680%0.802SS**  trans-127.1120.4156.7-68.7-164.68.400110.1
144S32.2Very low32.1Very low112 Ų112145.7 Ų145.778%0.78380%0.8SS**  trans-85.2122.7-17553.80000111.9
145I35.8Very low32.1Very low160 Ų160146.4 Ų146.482%0.82181%0.806SS**  trans-129.2136.9158.7-57.4-177.6000107.7
146N35Very low32.6Very low148 Ų148143 Ų14379%0.79180%0.8SS**PPolyproline II helixtrans-65.1147.7-160.1-53.7-78.1000114.6
147P41.2Very low32.9Very low109 Ų109143.6 Ų143.671%0.70880%0.799SS**PPolyproline II helixtrans-66146.2160.931-34.4000110.2L149P147-L149 PolarHBondContact O-N 3.08Å
148P36.4Very low33.3Very low126 Ų126145.7 Ų145.782%0.81880%0.799SS**PPolyproline II helixtrans-68120.3175.727.5-33.2000110.6R150P148-R150 PolarHBondContact O-N 2.99Å
149L36.4Very low33.6Very low168 Ų168146.7 Ų146.788%0.8880%0.796SS**PPolyproline II helixtrans-60.7128.2174.9-72163.8000110.5P147P147-L149 PolarHBondContact O-N 3.08Å
150R36.5Very low33.7Very low237 Ų237145.1 Ų145.189%0.89480%0.796SS**PPolyproline II helixtrans-60.9129.2171-66.7179.5179.9168.1-0.3109.2P148 Q152P148-R150 PolarHBondContact O-N 2.99Å; R150-Q152 PolarHBondContact O-N 3.22Å
151P32.9Very low33.7Very low113 Ų113143.4 Ų143.473%0.73479%0.792SS**PPolyproline II helixtrans-67.5122.5169.727.5-32.3000109.8L153P151-L153 PolarHBondContact O-N 3.39Å
152Q33.1Very low33.7Very low175 Ų175144.6 Ų144.682%0.81879%0.79SS**  trans-66109.3169.7-73.2-826.600108.9R150 T154R150-Q152 PolarHBondContact O-N 3.22Å; Q152-T154 VanDerWaalsContact C-N 3.3Å; Q152-T154 PolarHBondContact O-N 2.92Å
153L30.9Very low33.6Very low172 Ų172146 Ų14690%0.90179%0.791SS**  trans-81.274.3178.6-74.9176.5000111.5P151P151-L153 PolarHBondContact O-N 3.39Å
154T34.1Very low33.4Very low117 Ų117141.8 Ų141.872%0.71878%0.779SS**  trans-85.9141.5165.754.50000111.4Q152Q152-T154 VanDerWaalsContact C-N 3.3Å; Q152-T154 PolarHBondContact O-N 2.92Å
155S28.3Very low33.3Very low107 Ų107148.1 Ų148.175%0.74879%0.786SS**  trans80.199.7164.7-128.70000118.5
156T36Very low33.1Very low116 Ų116144.7 Ų144.771%0.71278%0.776SS**  32.9121.9127.659.90000121
157V36.9Very low33Very low131 Ų131149.1 Ų149.179%0.79478%0.782SS**  trans58106.3143.1-173.50000117.8
158L32.3Very low32.4Very low167 Ų167151.2 Ų151.287%0.87478%0.782SS**  trans-153.2151.6142.7-107.5172.3000110.3
159N32.4Very low32.2Very low131 Ų131150.8 Ų150.870%0.70178%0.779SS**  trans-82.5146.3-167.7-55.2-68.6000113.3T161N159-T161 PolarHBondContact O-N 3.36Å
160P33.6Very low31.9Very low129 Ų129154.3 Ų154.384%0.83878%0.781SS**  trans-75.9101168.830.9-32.9000111.1Y162P160-Y162 PolarHBondContact O-N 3.49Å; P160-Y162 VanDerWaalsContact O-N 3.07Å
161T30.9Very low31.5Very low118 Ų118151 Ų15172%0.72478%0.779SS**  trans-72.497.7174.9-53.10000111.3N159 M163N159-T161 PolarHBondContact O-N 3.36Å; T161-M163 HydrophobicContact CG2-CE 4.36Å; T161-M163 HydrophobicContact CG2-CG 4.28Å; T161-M163 PolarHBondContact O-N 3.04Å
162Y28.5Very low31.4Very low204 Ų204150.7 Ų150.780%0.878%0.78SS**  trans-78.3109.5176-167.4-99.5000111.4P160 P164P160-Y162 PolarHBondContact O-N 3.49Å; P160-Y162 VanDerWaalsContact O-N 3.07Å; Y162-P164 HydrophobicContact CE1-CB 4.35Å; Y162-P164 WeakPolarHBondContact O-CD 3.22Å
163M29.5Very low31.3Very low145 Ų145151.8 Ų151.871%0.71479%0.785SS**  trans-106.1100.2176.5-80.1-74.3106.400111.1T161 R165T161-M163 HydrophobicContact CG2-CE 4.36Å; T161-M163 HydrophobicContact CG2-CG 4.28Å; T161-M163 PolarHBondContact O-N 3.04Å; M163-R165 PolarHBondContact O-N 3.26Å
164P29.5Very low31.2Very low92 Ų92148 Ų14860%0.59778%0.778SS**  trans-70.3121.217528.3-33000110.8Y162 S166Y162-P164 HydrophobicContact CE1-CB 4.35Å; Y162-P164 WeakPolarHBondContact O-CD 3.22Å; P164-S166 PolarHBondContact O-N 2.99Å
165R30.2Very low30.9Very low246 Ų246151.3 Ų151.393%0.92879%0.785SS**  trans-74.486.9178.4-75.2-174.7169.8-164.6-2.1111.8M163 R167M163-R165 PolarHBondContact O-N 3.26Å; R165-R167 PolarHBondContact O-N 3.19Å; R165-R167 VanDerWaalsContact O-N 3.09Å
166S30.3Very low31Very low87 Ų87154.2 Ų154.261%0.60879%0.791SS**  trans-71.697.5175.550.80000112.5P164 H168P164-S166 PolarHBondContact O-N 2.99Å; S166-H168 PolarHBondContact O-N 3.45Å; S166-H168 VanDerWaalsContact O-N 3.07Å; S166-H168 PolarHBondContact O-ND1 3.02Å; S166-H168 PolarHBondContact OG-CE1 3.11Å
167R32.2Very low30.6Very low241 Ų241160.3 Ų160.391%0.90980%0.802SS**  trans-64.9105.3168.1-81.8-171.2174.5-168.90.9109.8R165 P169R165-R167 PolarHBondContact O-N 3.19Å; R165-R167 VanDerWaalsContact O-N 3.09Å; R167-P169 WeakPolarHBondContact O-CD 3.24Å
168H30.6Very low30.4Very low153 Ų153159.6 Ų159.671%0.70880%0.802SS**  trans-92.8117170.8-7274.5000110.7S166S166-H168 PolarHBondContact O-N 3.45Å; S166-H168 VanDerWaalsContact O-N 3.07Å; S166-H168 PolarHBondContact O-ND1 3.02Å; S166-H168 PolarHBondContact OG-CE1 3.11Å
169P31.1Very low30.2Very low117 Ų117161.7 Ų161.776%0.7680%0.804SS**  trans-68.7129.3159.5-10.927.7000108.6R167 I171R167-P169 WeakPolarHBondContact O-CD 3.24Å; P169-I171 PolarHBondContact O-N 2.94Å
170R30.3Very low30.1Very low243 Ų243164.5 Ų164.592%0.91781%0.813SS**  trans-77112.3174-62.8-176.3-170.4174.33.1109.2S172R170-S172 PolarHBondContact O-N 3.39Å
171I28.8Very low29.9Very low166 Ų166161.9 Ų161.985%0.85181%0.81SS**  trans-73.9104.1167.6-66.9174.5000107.8P169 Q173P169-I171 PolarHBondContact O-N 2.94Å; I171-Q173 PolarHBondContact O-N 2.94Å
172S29.8Very low29.9Very low108 Ų108162.6 Ų162.676%0.75582%0.82SS**  trans-82.5109.8176.1540000110.6R170 A174R170-S172 PolarHBondContact O-N 3.39Å; S172-A174 PolarHBondContact O-N 3.24Å
173Q32.2Very low29.8Very low197 Ų197155.9 Ų155.992%0.92181%0.812SS**  trans-65.2121176.3-170.5179.124.800111I171I171-Q173 PolarHBondContact O-N 2.94Å
174A27.1Very low30Very low93 Ų93155.2 Ų155.277%0.76982%0.816SS**  trans-143.9154.4176.600000111.3S172S172-A174 PolarHBondContact O-N 3.24Å
175H28.4Very low30.1Very low186 Ų186159.6 Ų159.686%0.86183%0.828SS**  trans-76.4148.4-161.3-72.4-31.6000117.1
176L31.5Very low30.1Very low168 Ų168151.2 Ų151.288%0.8882%0.819SS**  trans-6.5117.9138-72.4159.6000116.3
177R26.8Very low30.2Very low245 Ų245154.1 Ų154.193%0.92583%0.833SS**  trans-158.3122.9135.4-159.2175-173.3-1793.7112.2
178S31.5Very low30.3Very low115 Ų115152.3 Ų152.380%0.80483%0.832SS**  trans-73.6136.5168.9-46.30000111.1
179K29.9Very low30.4Very low211 Ų211151.9 Ų151.992%0.91784%0.84SS**  trans-153.4145.7142.1-138.6-176.5179-169.40112.4
180E30.2Very low30.2Very low191 Ų191151.6 Ų151.689%0.89384%0.841SS**  trans-93.8145.5179.4-179.4177.2-162.400110
181G29.6Very low30.2Very low74 Ų74146 Ų14676%0.76384%0.839SS**  trans173.1102.3-178.400000116.2
182S30.2Very low30.3Very low133 Ų133143.1 Ų143.193%0.9383%0.834SS**  trans-34.3148.5165.6-176.90000118.1
183G27.1Very low30.6Very low62 Ų62142.7 Ų142.764%0.63984%0.837SS**  trans143.3105.9135.900000120
184V33.7Very low31Very low131 Ų131138.6 Ų138.679%0.79483%0.825SS**  trans66.9121.1138.8-176.50000121
185E30.8Very low31.9Very low184 Ų184139.8 Ų139.886%0.8682%0.818SS**  trans32112.3147.6-58.9-179.6111.200122.3
186G29.3Very low32.5Very low71 Ų71136.4 Ų136.473%0.73282%0.816SS**  92.294.983.600000119.1
187T32.9Very low33.4Very low147 Ų147134.5 Ų134.590%0.90280%0.802SS**  trans-152.9138.5140.6-14.30000110.5
188K34.4Very low34.3Very low204 Ų204126 Ų12689%0.88778%0.779SS**  trans-111.6123.3176.7-69.3178-179.3173.60110.1
189T31.8Very low35Very low143 Ų143128 Ų12888%0.87777%0.769SS**  trans-136.1106.2161.751.10000109.2
190S28.1Very low36Very low111 Ų111125.3 Ų125.378%0.77676%0.755SS**  trans-112.8112.2-173.353.80000112.1
191S29.6Very low37.7Very low126 Ų126122 Ų12288%0.88174%0.739SS**  trans-179.1104.1146.533.20000111.5
192S31.4Very low39.2Very low106 Ų106122 Ų12274%0.74173%0.725SS**  trans-156.858.1160.4-169.90000108.9V194S192-V194 PolarHBondContact O-N 3.47Å
193A36.8Very low40.8Very low99 Ų99119.3 Ų119.382%0.81870%0.7SS**  trans-78.561.2176.300000110.3
194V39.4Very low42.7Very low111 Ų111124 Ų12467%0.67370%0.699SS**  trans-94.8118.1172.8-177.60000107.6S192S192-V194 PolarHBondContact O-N 3.47Å
195N45.8Very low43.9Very low117 Ų117125.2 Ų125.263%0.62669%0.69SS**  trans52.863.1173.5-63.832.1000114.9E197N195-E197 HydrophobicContact CB-CG 4.32Å; N195-E197 PolarHBondContact ND2-OE1 3.45Å; N195-E197 PolarHBondContact O-N 3.38Å
196S41.8Very low45.3Very low116 Ų116118.7 Ų118.781%0.81167%0.667SS**  trans-69.563.2151.1-62.90000110C198S196-C198 PolarHBondContact O-N 2.88Å
197E49.7Very low46.8Very low127 Ų127120.8 Ų120.859%0.59367%0.669SS**  trans-56.3123.6166.7-75.3167.7-149.800107.5N195 W199N195-E197 HydrophobicContact CB-CG 4.32Å; N195-E197 PolarHBondContact ND2-OE1 3.45Å; N195-E197 PolarHBondContact O-N 3.38Å; E197-W199 PolarHBondContact O-N 2.74Å
198C45.7Very low48.1Very low66 Ų66116.1 Ų116.145%0.44665%0.645SS.*  trans-67.4113.1-174.9-163.40000107.9S196 Y200 Q201S196-C198 PolarHBondContact O-N 2.88Å; C198-Y200 PolarHBondContact O-N 2.98Å; C198-Y200 VanDerWaalsContact O-N 3.12Å; C198-Q201 HydrophobicContact CB-CB 4.35Å; C198-Q201 WeakPolarHBondContact O-CA 3.46Å; C198-Q201 WeakPolarHBondContact O-CB 3.29Å; C198-Q201 PolarHBondContact O-N 2.89Å
199W46.5Very low49.4Very low158 Ų158111.6 Ų111.660%0.59863%0.63SS**Hα-helixtrans-53.9-39.3-169.572.4-67.2000113.3E197 Q201 V202 D203E197-W199 PolarHBondContact O-N 2.74Å; W199-Q201 PolarHBondContact O-N 2.91Å; W199-Q201 VanDerWaalsContact O-N 3.1Å; W199-V202 PolarHBondContact O-N 3.09Å; W199-D203 WeakPolarHBondContact CZ3-OD2 3.41Å; W199-D203 PolarHBondContact O-N 3.19Å
200Y52.3Low50.9Low154 Ų154106.7 Ų106.760%0.60460%0.6SS**Hα-helixtrans-50-33.6170.9-57.2-62.3000114.4C198 Y204C198-Y200 PolarHBondContact O-N 2.98Å; C198-Y200 VanDerWaalsContact O-N 3.12Å; Y200-Y204 WeakPolarHBondContact O-CB 3.41Å; Y200-Y204 PolarHBondContact O-N 3.19Å
201Q65.1Low52.6Low121 Ų121110.9 Ų110.957%0.56560%0.604SS**Hα-helixtrans-76.7-35.3-179.6-160.9172.516.200111.6C198 W199 W205C198-Q201 HydrophobicContact CB-CB 4.35Å; C198-Q201 WeakPolarHBondContact O-CA 3.46Å; C198-Q201 WeakPolarHBondContact O-CB 3.29Å; C198-Q201 PolarHBondContact O-N 2.89Å; W199-Q201 PolarHBondContact O-N 2.91Å; W199-Q201 VanDerWaalsContact O-N 3.1Å; Q201-W205 PolarHBondContact O-N 3.07Å
202V60.1Low54.4Low76 Ų76108.2 Ų108.246%0.46159%0.59SS.*Hα-helixtrans-68.8-46.2172.2-179.20000109.9W199 Y204 W205 A206W199-V202 PolarHBondContact O-N 3.09Å; V202-Y204 PolarHBondContact O-N 2.76Å; V202-W205 PolarHBondContact O-N 2.71Å; V202-A206 WeakPolarHBondContact O-CB 3.29Å; V202-A206 PolarHBondContact O-N 3.31Å
203D65.1Low56.2Low76 Ų76110.4 Ų110.441%0.40659%0.593SS.*Hα-helixtrans-65.2-37.7178.5-72.3-23000112.4W199 W205 A206 C207W199-D203 WeakPolarHBondContact CZ3-OD2 3.41Å; W199-D203 PolarHBondContact O-N 3.19Å; D203-W205 PolarHBondContact O-N 3.43Å; D203-A206 PolarHBondContact O-N 3.2Å; D203-C207 PolarHBondContact O-N 3.05Å; D203-C207 PolarHBondContact O-SG 2.93Å; D203-C207 VanDerWaalsContact O-SG 3.38Å
204Y67Low58Low161 Ų161108 Ų10863%0.63157%0.569SS**Hα-helixtrans-57.1-49173.9-179.8-96.5000112Y200 V202 C207 A208Y200-Y204 WeakPolarHBondContact O-CB 3.41Å; Y200-Y204 PolarHBondContact O-N 3.19Å; V202-Y204 PolarHBondContact O-N 2.76Å; Y204-C207 PolarHBondContact O-N 2.69Å; Y204-A208 PolarHBondContact O-N 3.5Å
205W57.7Low59.6Low156 Ų156105 Ų10559%0.59155%0.552SS**Hα-helixtrans-71.6-30.8176.6-69.8116.6000113Q201 V202 D203 C207 A208 I209Q201-W205 PolarHBondContact O-N 3.07Å; V202-W205 PolarHBondContact O-N 2.71Å; D203-W205 PolarHBondContact O-N 3.43Å; W205-C207 PolarHBondContact O-N 3.28Å; W205-A208 HydrophobicContact CE3-CB 4.1Å; W205-A208 PolarHBondContact O-N 2.83Å; W205-I209 PolarHBondContact O-N 2.79Å
206A61.4Low60.6Low46 Ų46104.3 Ų104.338%0.3856%0.556SS.*Hα-helixtrans-69.3-17.3174.200000113.9V202 D203V202-A206 WeakPolarHBondContact O-CB 3.29Å; V202-A206 PolarHBondContact O-N 3.31Å; D203-A206 PolarHBondContact O-N 3.2Å
207C59.7Low62.2Low115 Ų115101.7 Ų101.778%0.77754%0.536SS*.Hα-helixtrans-92.9-21.2170.1-70.70000113.3D203 Y204 W205D203-C207 PolarHBondContact O-N 3.05Å; D203-C207 PolarHBondContact O-SG 2.93Å; D203-C207 VanDerWaalsContact O-SG 3.38Å; Y204-C207 PolarHBondContact O-N 2.69Å; W205-C207 PolarHBondContact O-N 3.28Å
208A60.5Low63.6Low49 Ų49100.4 Ų100.441%0.40553%0.533SS..Hα-helixtrans-81.9-20.5-177.300000114.3Y204 W205Y204-A208 PolarHBondContact O-N 3.5Å; W205-A208 HydrophobicContact CE3-CB 4.1Å; W205-A208 PolarHBondContact O-N 2.83Å
209I63Low65.4Low110 Ų110104.7 Ų104.756%0.56454%0.54SS*.SBendtrans-114.8124.7-178.4-55.9176.8000109.1W205 K211W205-I209 PolarHBondContact O-N 2.79Å; I209-K211 PolarHBondContact O-N 3.29Å
210P63.4Low66.8Low39 Ų39106.2 Ų106.225%0.25355%0.551SS.*  trans-58138.7173.1-21.230.9000111.7A212 Y236 P239P210-A212 VanDerWaalsContact C-N 3.25Å; P210-A212 PolarHBondContact O-N 2.96Å; P210-Y236 HydrophobicContact CB-CD2 4.14Å; P210-Y236 HydrophobicContact CB-CE2 3.71Å; P210-Y236 HydrophobicContact CG-CD2 4.05Å; P210-Y236 HydrophobicContact CG-CE1 4.49Å; P210-Y236 HydrophobicContact CG-CE2 3.92Å; P210-Y236 HydrophobicContact CG-CG 4.4Å; P210-Y236 WeakPolarHBondContact CG-O 3.47Å; P210-P239 HydrophobicContact CG-CG 4.1Å
211K62.1Low68.1Low199 Ų199101.6 Ų101.687%0.86554%0.541SS*.SBendtrans-78.8-9.1178-63.1176-176.21720113.4I209I209-K211 PolarHBondContact O-N 3.29Å
212A68.4Low68.6Low70 Ų70101.4 Ų101.458%0.57956%0.56SS**SBendtrans-81.6167171.700000111P210 Y236P210-A212 VanDerWaalsContact C-N 3.25Å; P210-A212 PolarHBondContact O-N 2.96Å; A212-Y236 PolarHBondContact O-OH 2.89Å; A212-Y236 VanDerWaalsContact O-OH 3.05Å
213L69.1Low69.5Low152 Ų152102 Ų10280%0.79657%0.573SS**PPolyproline II helixtrans-79.7154.6166.8-69.6172.4000110.4
214P73.4Confident70.5Confident50 Ų50102.9 Ų102.933%0.32557%0.57SS.*PPolyproline II helixtrans-62.4142175.525.5-34.2000111.4S216 L233 Y236P214-S216 PolarHBondContact O-N 2.9Å; P214-S216 VanDerWaalsContact O-N 3.13Å; P214-S216 PolarHBondContact O-OG 2.83Å; P214-S216 VanDerWaalsContact O-OG 3.08Å; P214-L233 HydrophobicContact CB-CD2 3.96Å; P214-Y236 HydrophobicContact CB-CD1 3.98Å; P214-Y236 HydrophobicContact CB-CD2 4.39Å; P214-Y236 HydrophobicContact CB-CE1 3.85Å; P214-Y236 HydrophobicContact CB-CE2 4.23Å; P214-Y236 HydrophobicContact CB-CG 4.26Å
215P73.6Confident71.2Confident48 Ų4898.5 Ų98.531%0.31256%0.558SS.*PPolyproline II helixtrans-60.4120177.824.9-32.8000109.6A232 L233P215-A232 HydrophobicContact CB-CB 4.21Å; P215-A232 HydrophobicContact CG-CB 3.7Å; P215-A232 WeakPolarHBondContact CG-O 3.36Å; P215-L233 HydrophobicContact CG-CD2 4.42Å
216S66.3Low72.5Confident101 Ų10194.3 Ų94.371%0.70655%0.551SS**  trans-128.777.8-175.927.90000109.7P214P214-S216 PolarHBondContact O-N 2.9Å; P214-S216 VanDerWaalsContact O-N 3.13Å; P214-S216 PolarHBondContact O-OG 2.83Å; P214-S216 VanDerWaalsContact O-OG 3.08Å
217P77.1Confident73.5Confident62 Ų6297.9 Ų97.940%0.40356%0.564SS.*  trans-63.3151.2179.2-1832.1000111.5R219 E229P217-R219 PolarHBondContact O-N 3.25Å; P217-E229 HydrophobicContact CG-CB 4.47Å; P217-E229 HydrophobicContact CG-CG 4.29Å
218D78.8Confident74.7Confident99 Ų9999.9 Ų99.953%0.52956%0.559SS.*  trans-67.6107.4171.4179.218.9000110.5K220 S221D218-K220 PolarHBondContact O-N 3.49Å; D218-K220 VanDerWaalsContact O-N 3.09Å; D218-K220 WeakPolarHBondContact OD1-CB 3.28Å; D218-K220 PolarHBondContact OD1-N 2.85Å; D218-S221 VanDerWaalsContact O-CB 3.24Å; D218-S221 WeakPolarHBondContact O-CB 3.47Å; D218-S221 PolarHBondContact O-N 3.45Å
219R82.3Confident75.9Confident157 Ų15798.3 Ų98.359%0.59254%0.543SS*.THydrogen-bonded Turntrans-66.3-5.3177.5-53.8-166.3177.4154.22113.9P217 W224 E229P217-R219 PolarHBondContact O-N 3.25Å; R219-W224 HydrophobicContact CB-CD2 4.04Å; R219-W224 HydrophobicContact CB-CE3 4.42Å; R219-W224 HydrophobicContact CB-CG 4.39Å; R219-W224 HydrophobicContact CB-CZ2 4.22Å; R219-W224 HydrophobicContact CG-CD2 4.28Å; R219-W224 HydrophobicContact CG-CZ2 3.89Å; R219-E229 IonicContact CZ-OE1 3.27Å; R219-E229 VanDerWaalsContact CZ-OE1 3.27Å; R219-E229 IonicContact CZ-OE2 3.82Å; R219-E229 IonicContact NE-OE1 3.08Å; R219-E229 PolarHBondContact NE-OE1 3.19Å; R219-E229 VanDerWaalsContact NE-OE1 3.08Å; R219-E229 IonicContact NE-OE2 2.99Å; R219-E229 PolarHBondContact NE-OE2 3.32Å; R219-E229 IonicContact NH2-OE1 2.66Å; R219-E229 PolarHBondContact NH2-OE1 2.83Å; R219-E229 IonicContact NH2-OE2 3.86Å
220K76.7Confident76.9Confident190 Ų19099.9 Ų99.983%0.82654%0.543SS*.THydrogen-bonded Turntrans-92.2-8.4171.3-56.9177.1-178176.80113.2D218D218-K220 PolarHBondContact O-N 3.49Å; D218-K220 VanDerWaalsContact O-N 3.09Å; D218-K220 WeakPolarHBondContact OD1-CB 3.28Å; D218-K220 PolarHBondContact OD1-N 2.85Å
221S80.4Confident77.8Confident57 Ų57101.8 Ų101.840%0.39955%0.549SS..SBendtrans-69.9136.2176-179.60000111.4D218 A223 W224D218-S221 VanDerWaalsContact O-CB 3.24Å; D218-S221 WeakPolarHBondContact O-CB 3.47Å; D218-S221 PolarHBondContact O-N 3.45Å; S221-A223 PolarHBondContact O-N 2.99Å; S221-A223 VanDerWaalsContact O-N 3.11Å; S221-A223 PolarHBondContact OG-N 3.15Å; S221-W224 WeakPolarHBondContact O-CB 3.5Å; S221-W224 PolarHBondContact O-N 3.44Å
222A74.9Confident78.7Confident116 Ų11694 Ų9496%0.95952%0.521SS*.THydrogen-bonded Turntrans-64.3-11.7172.400000113.7
223A77.9Confident79.5Confident88 Ų8893.4 Ų93.473%0.72751%0.508SS*.THydrogen-bonded Turntrans-95.41.9172.600000113.5S221S221-A223 PolarHBondContact O-N 2.99Å; S221-A223 VanDerWaalsContact O-N 3.11Å; S221-A223 PolarHBondContact OG-N 3.15Å
224W86.6Confident80.1Confident95 Ų9588 Ų8836%0.3648%0.48SS..  trans-65.6137.9177.7179.663.9000111.5R219 S221 P226 E229R219-W224 HydrophobicContact CB-CD2 4.04Å; R219-W224 HydrophobicContact CB-CE3 4.42Å; R219-W224 HydrophobicContact CB-CG 4.39Å; R219-W224 HydrophobicContact CB-CZ2 4.22Å; R219-W224 HydrophobicContact CG-CD2 4.28Å; R219-W224 HydrophobicContact CG-CZ2 3.89Å; S221-W224 WeakPolarHBondContact O-CB 3.5Å; S221-W224 PolarHBondContact O-N 3.44Å; W224-P226 HydrophobicContact CE3-CG 4.36Å; W224-P226 HydrophobicContact CH2-CB 4.29Å; W224-P226 HydrophobicContact CH2-CG 3.69Å; W224-P226 HydrophobicContact CZ2-CB 4.2Å; W224-P226 HydrophobicContact CZ2-CG 3.96Å; W224-P226 HydrophobicContact CZ3-CG 3.9Å; W224-E229 PolarHBondContact NE1-OE2 3.27Å
225N82.6Confident80.5Confident69 Ų6987.9 Ų87.937%0.36948%0.476SS..  trans-136.8114.3178.3-179.1-42.6000108.6N227 K228 E229N225-N227 VanDerWaalsContact C-N 3.25Å; N225-N227 PolarHBondContact O-N 3.39Å; N225-N227 WeakPolarHBondContact OD1-CB 3.49Å; N225-N227 PolarHBondContact OD1-N 3.48Å; N225-K228 HydrophobicContact CB-CB 4.11Å; N225-K228 HydrophobicContact CB-CD 4.34Å; N225-K228 HydrophobicContact CB-CG 4.12Å; N225-K228 PolarHBondContact O-N 3.35Å; N225-K228 VanDerWaalsContact O-N 3.12Å; N225-K228 PolarHBondContact OD1-N 3.42Å; N225-E229 PolarHBondContact O-N 3.34Å; N225-E229 VanDerWaalsContact O-N 3.1Å
226P83.8Confident80.8Confident69 Ų6988.3 Ų88.345%0.44847%0.472SS..Hα-helixtrans-55.7-38.6-177.3-24.731.1000113.5W224 E229 Y230W224-P226 HydrophobicContact CE3-CG 4.36Å; W224-P226 HydrophobicContact CH2-CB 4.29Å; W224-P226 HydrophobicContact CH2-CG 3.69Å; W224-P226 HydrophobicContact CZ2-CB 4.2Å; W224-P226 HydrophobicContact CZ2-CG 3.96Å; W224-P226 HydrophobicContact CZ3-CG 3.9Å; P226-E229 PolarHBondContact O-N 3.46Å; P226-Y230 WeakPolarHBondContact O-CB 3.2Å; P226-Y230 PolarHBondContact O-N 3.11Å
227N83.1Confident81.3Confident120 Ų12087.1 Ų87.164%0.64246%0.461SS*.Hα-helixtrans-71.5-33.8-177.2-60.23.9000111N225 Y230 E231N225-N227 VanDerWaalsContact C-N 3.25Å; N225-N227 PolarHBondContact O-N 3.39Å; N225-N227 WeakPolarHBondContact OD1-CB 3.49Å; N225-N227 PolarHBondContact OD1-N 3.48Å; N227-Y230 PolarHBondContact O-N 3.18Å; N227-E231 WeakPolarHBondContact O-CG 3.48Å; N227-E231 PolarHBondContact O-N 2.73Å
228K84.8Confident81.4Confident157 Ų15791.2 Ų91.268%0.68347%0.469SS*.Hα-helixtrans-70.3-38.3173.4-72.4-166.6170.9-166.40112.4N225 A232N225-K228 HydrophobicContact CB-CB 4.11Å; N225-K228 HydrophobicContact CB-CD 4.34Å; N225-K228 HydrophobicContact CB-CG 4.12Å; N225-K228 PolarHBondContact O-N 3.35Å; N225-K228 VanDerWaalsContact O-N 3.12Å; N225-K228 PolarHBondContact OD1-N 3.42Å; K228-A232 VanDerWaalsContact O-CB 3.29Å; K228-A232 WeakPolarHBondContact O-CB 3.35Å; K228-A232 PolarHBondContact O-N 3.19Å
229E85.9Confident80.6Confident16 Ų1690.5 Ų90.58%0.07547%0.47CS..Hα-helixtrans-63.4-44.1172.9-173.5-179.7164.800110.7P217 R219 W224 N225 P226 A232 L233P217-E229 HydrophobicContact CG-CB 4.47Å; P217-E229 HydrophobicContact CG-CG 4.29Å; R219-E229 IonicContact CZ-OE1 3.27Å; R219-E229 VanDerWaalsContact CZ-OE1 3.27Å; R219-E229 IonicContact CZ-OE2 3.82Å; R219-E229 IonicContact NE-OE1 3.08Å; R219-E229 PolarHBondContact NE-OE1 3.19Å; R219-E229 VanDerWaalsContact NE-OE1 3.08Å; R219-E229 IonicContact NE-OE2 2.99Å; R219-E229 PolarHBondContact NE-OE2 3.32Å; R219-E229 IonicContact NH2-OE1 2.66Å; R219-E229 PolarHBondContact NH2-OE1 2.83Å; R219-E229 IonicContact NH2-OE2 3.86Å; W224-E229 PolarHBondContact NE1-OE2 3.27Å; N225-E229 PolarHBondContact O-N 3.34Å; N225-E229 VanDerWaalsContact O-N 3.1Å; P226-E229 PolarHBondContact O-N 3.46Å; E229-A232 PolarHBondContact O-N 3.16Å; E229-L233 HydrophobicContact CG-CD1 4.07Å; E229-L233 WeakPolarHBondContact O-CB 3.44Å; E229-L233 VanDerWaalsContact O-CG 3.29Å; E229-L233 WeakPolarHBondContact O-CG 3.38Å; E229-L233 PolarHBondContact O-N 3.48Å
230Y83.9Confident79.6Confident144 Ų14490.7 Ų90.757%0.56548%0.482SS*.Hα-helixtrans-61-48.5177.4-177.4-105000112.9P226 N227 A232 L233 L234P226-Y230 WeakPolarHBondContact O-CB 3.2Å; P226-Y230 PolarHBondContact O-N 3.11Å; N227-Y230 PolarHBondContact O-N 3.18Å; Y230-A232 PolarHBondContact O-N 3.19Å; Y230-L233 PolarHBondContact O-N 2.9Å; Y230-L234 HydrophobicContact CD1-CD1 4.05Å; Y230-L234 HydrophobicContact CD1-CG 4.46Å; Y230-L234 HydrophobicContact CE1-CD1 3.48Å; Y230-L234 VanDerWaalsContact CE1-CD1 3.48Å; Y230-L234 HydrophobicContact CE1-CG 4.11Å; Y230-L234 WeakPolarHBondContact O-CG 3.41Å; Y230-L234 PolarHBondContact O-N 2.85Å
231E83Confident78.8Confident79 Ų7985.3 Ų85.337%0.36946%0.457SS..Hα-helixtrans-63.1-41.1176.7-71.7-59151.100112.3N227 L233 L234 D235 R241N227-E231 WeakPolarHBondContact O-CG 3.48Å; N227-E231 PolarHBondContact O-N 2.73Å; E231-L233 VanDerWaalsContact C-N 3.3Å; E231-L233 PolarHBondContact O-N 3.24Å; E231-L234 WeakPolarHBondContact O-CB 3.32Å; E231-L234 PolarHBondContact O-N 3.29Å; E231-L234 VanDerWaalsContact O-N 3.11Å; E231-D235 PolarHBondContact O-N 3.08Å; E231-R241 PolarHBondContact O-NH2 3.4Å; E231-R241 IonicContact OE2-CZ 2.88Å; E231-R241 IonicContact OE2-NH1 3.99Å; E231-R241 PolarHBondContact OE2-NH1 2.89Å; E231-R241 IonicContact OE2-NH2 2.65Å; E231-R241 PolarHBondContact OE2-NH2 3.48Å
232A80.6Confident77.3Confident35 Ų3589.3 Ų89.329%0.28948%0.481SS..Hα-helixtrans-65.3-32.5176.500000112.8P215 K228 E229 Y230 Y236P215-A232 HydrophobicContact CB-CB 4.21Å; P215-A232 HydrophobicContact CG-CB 3.7Å; P215-A232 WeakPolarHBondContact CG-O 3.36Å; K228-A232 VanDerWaalsContact O-CB 3.29Å; K228-A232 WeakPolarHBondContact O-CB 3.35Å; K228-A232 PolarHBondContact O-N 3.19Å; E229-A232 PolarHBondContact O-N 3.16Å; Y230-A232 PolarHBondContact O-N 3.19Å; A232-Y236 VanDerWaalsContact O-CB 3.28Å; A232-Y236 WeakPolarHBondContact O-CB 3.5Å; A232-Y236 PolarHBondContact O-N 3.39Å
233L84.7Confident76.2Confident58 Ų5887 Ų8730%0.30447%0.468SS..Hα-helixtrans-71.7-33.4171.4-72.1169.6000112.2P214 P215 E229 Y230 E231 T237P214-L233 HydrophobicContact CB-CD2 3.96Å; P215-L233 HydrophobicContact CG-CD2 4.42Å; E229-L233 HydrophobicContact CG-CD1 4.07Å; E229-L233 WeakPolarHBondContact O-CB 3.44Å; E229-L233 VanDerWaalsContact O-CG 3.29Å; E229-L233 WeakPolarHBondContact O-CG 3.38Å; E229-L233 PolarHBondContact O-N 3.48Å; Y230-L233 PolarHBondContact O-N 2.9Å; E231-L233 VanDerWaalsContact C-N 3.3Å; E231-L233 PolarHBondContact O-N 3.24Å; L233-T237 WeakPolarHBondContact O-CB 3.12Å; L233-T237 PolarHBondContact O-N 3.19Å; L233-T237 PolarHBondContact O-OG1 3.27Å
234L81.8Confident74.8Confident39 Ų3989.3 Ų89.320%0.20446%0.464CS..Hα-helixtrans-69.1-43.7172.7-71.5-176.4000112.2Y230 E231 Y236 T237 Y238Y230-L234 HydrophobicContact CD1-CD1 4.05Å; Y230-L234 HydrophobicContact CD1-CG 4.46Å; Y230-L234 HydrophobicContact CE1-CD1 3.48Å; Y230-L234 VanDerWaalsContact CE1-CD1 3.48Å; Y230-L234 HydrophobicContact CE1-CG 4.11Å; Y230-L234 WeakPolarHBondContact O-CG 3.41Å; Y230-L234 PolarHBondContact O-N 2.85Å; E231-L234 WeakPolarHBondContact O-CB 3.32Å; E231-L234 PolarHBondContact O-N 3.29Å; E231-L234 VanDerWaalsContact O-N 3.11Å; L234-Y236 VanDerWaalsContact C-N 3.33Å; L234-Y236 PolarHBondContact O-N 2.9Å; L234-T237 PolarHBondContact O-N 2.96Å; L234-Y238 HydrophobicContact CD2-CD2 4.45Å; L234-Y238 HydrophobicContact CD2-CE2 4.4Å; L234-Y238 WeakPolarHBondContact O-CB 3.39Å; L234-Y238 PolarHBondContact O-N 3.47Å
235D80.9Confident72.7Confident46 Ų4691.9 Ų91.925%0.24649%0.49CS..Hα-helixtrans-64.2-37.9174.4-75.9-41000112E231 Y238 P239 R241E231-D235 PolarHBondContact O-N 3.08Å; D235-Y238 CarbonylContact O-C 3.38Å; D235-P239 WeakPolarHBondContact O-CA 3.38Å; D235-R241 IonicContact OD1-CZ 2.71Å; D235-R241 IonicContact OD1-NE 2.76Å; D235-R241 PolarHBondContact OD1-NE 3.26Å; D235-R241 IonicContact OD1-NH2 3.08Å; D235-R241 PolarHBondContact OD1-NH2 2.99Å; D235-R241 IonicContact OD2-CZ 2.91Å; D235-R241 IonicContact OD2-NH2 3.2Å; D235-R241 PolarHBondContact OD2-NH2 3.45Å
236Y80.3Confident70.7Confident58 Ų5891.4 Ų91.423%0.22749%0.492CS..Hα-helixtrans-63.6-43.9172.5177.1-87.9000112.2P210 A212 P214 A232 L234P210-Y236 HydrophobicContact CB-CD2 4.14Å; P210-Y236 HydrophobicContact CB-CE2 3.71Å; P210-Y236 HydrophobicContact CG-CD2 4.05Å; P210-Y236 HydrophobicContact CG-CE1 4.49Å; P210-Y236 HydrophobicContact CG-CE2 3.92Å; P210-Y236 HydrophobicContact CG-CG 4.4Å; P210-Y236 WeakPolarHBondContact CG-O 3.47Å; A212-Y236 PolarHBondContact O-OH 2.89Å; A212-Y236 VanDerWaalsContact O-OH 3.05Å; P214-Y236 HydrophobicContact CB-CD1 3.98Å; P214-Y236 HydrophobicContact CB-CD2 4.39Å; P214-Y236 HydrophobicContact CB-CE1 3.85Å; P214-Y236 HydrophobicContact CB-CE2 4.23Å; P214-Y236 HydrophobicContact CB-CG 4.26Å; A232-Y236 VanDerWaalsContact O-CB 3.28Å; A232-Y236 WeakPolarHBondContact O-CB 3.5Å; A232-Y236 PolarHBondContact O-N 3.39Å; L234-Y236 VanDerWaalsContact C-N 3.33Å; L234-Y236 PolarHBondContact O-N 2.9Å
237T78.2Confident68.5Low76 Ų7698.8 Ų98.847%0.46651%0.511SS..Hα-helixtrans-76.4-26.3-177.5-51.40000112.3L233 L234L233-T237 WeakPolarHBondContact O-CB 3.12Å; L233-T237 PolarHBondContact O-N 3.19Å; L233-T237 PolarHBondContact O-OG1 3.27Å; L234-T237 PolarHBondContact O-N 2.96Å
238Y78.4Confident66.4Low147 Ų147101 Ų10158%0.57652%0.517SS*.  trans-134.473.9-177.8-57-74.2000111.6L234 D235 L240 R241L234-Y238 HydrophobicContact CD2-CD2 4.45Å; L234-Y238 HydrophobicContact CD2-CE2 4.4Å; L234-Y238 WeakPolarHBondContact O-CB 3.39Å; L234-Y238 PolarHBondContact O-N 3.47Å; D235-Y238 CarbonylContact O-C 3.38Å; Y238-L240 PolarHBondContact O-N 3.31Å; Y238-R241 WeakPolarHBondContact O-CG 3.39Å; Y238-R241 PolarHBondContact O-N 3.16Å
239P62.5Low64.1Low84 Ų84104.6 Ų104.655%0.54553%0.527SS..THydrogen-bonded Turntrans-62.3-0.6-174.2-25.236.1000116.7P210 D235P210-P239 HydrophobicContact CG-CG 4.1Å; D235-P239 WeakPolarHBondContact O-CA 3.38Å
240L59.8Low61.7Low162 Ų162110.5 Ų110.585%0.84856%0.559SS**THydrogen-bonded Turntrans-105.813.4-176.2-57.2177.9000113.4Y238 P242Y238-L240 PolarHBondContact O-N 3.31Å; L240-P242 WeakPolarHBondContact O-CD 3.31Å
241R60.2Low59.2Low77 Ų77108 Ų10829%0.29156%0.562SS.*  trans-61.7113.4178.9-64.2-154.3-61.5173.12111.4E231 D235 Y238 G243E231-R241 PolarHBondContact O-NH2 3.4Å; E231-R241 IonicContact OE2-CZ 2.88Å; E231-R241 IonicContact OE2-NH1 3.99Å; E231-R241 PolarHBondContact OE2-NH1 2.89Å; E231-R241 IonicContact OE2-NH2 2.65Å; E231-R241 PolarHBondContact OE2-NH2 3.48Å; D235-R241 IonicContact OD1-CZ 2.71Å; D235-R241 IonicContact OD1-NE 2.76Å; D235-R241 PolarHBondContact OD1-NE 3.26Å; D235-R241 IonicContact OD1-NH2 3.08Å; D235-R241 PolarHBondContact OD1-NH2 2.99Å; D235-R241 IonicContact OD2-CZ 2.91Å; D235-R241 IonicContact OD2-NH2 3.2Å; D235-R241 PolarHBondContact OD2-NH2 3.45Å; Y238-R241 WeakPolarHBondContact O-CG 3.39Å; Y238-R241 PolarHBondContact O-N 3.16Å; R241-G243 PolarHBondContact O-N 3.17Å
242P49Very low57.2Low141 Ų141110.9 Ų110.992%0.91659%0.585SS**THydrogen-bonded Turntrans-76.893.1178.4-1028.4000109.6L240L240-P242 WeakPolarHBondContact O-CD 3.31Å
243G51.2Low55.1Low66 Ų66118.2 Ų118.268%0.6861%0.614SS**THydrogen-bonded Turntrans162.9-12.7179.200000117.1R241R241-G243 PolarHBondContact O-N 3.17Å
244H49.4Very low52.7Low137 Ų137123.6 Ų123.663%0.63464%0.642SS**  trans-128.476.3178.6-10536.9000113S246H244-S246 PolarHBondContact O-N 3.46Å; H244-S246 VanDerWaalsContact O-N 3.09Å
245V43.1Very low50.5Low149 Ų149130.7 Ų130.790%0.90367%0.674SS**  trans-71.698.8161.6-170.10000107.4R247V245-R247 PolarHBondContact O-N 3.3Å
246S39.7Very low48.3Very low59 Ų59137.2 Ų137.241%0.41370%0.703SS.*  trans-60.3121.7-178.2176.40000111.1H244 E248H244-S246 PolarHBondContact O-N 3.46Å; H244-S246 VanDerWaalsContact O-N 3.09Å; S246-E248 PolarHBondContact O-N 2.99Å; S246-E248 PolarHBondContact OG-N 3.42Å
247R37.8Very low46.4Very low225 Ų225141.4 Ų141.485%0.84973%0.729SS**G310 helixtrans-68.2-12.9179.2-174.7172.3-74.7-174.1-3.6112.9V245V245-R247 PolarHBondContact O-N 3.3Å
248E39.5Very low44.3Very low167 Ų167148.5 Ų148.578%0.7875%0.749SS**G310 helixtrans-85.2-6.5-173.9-93.2159.2176.300115.2S246 N250S246-E248 PolarHBondContact O-N 2.99Å; S246-E248 PolarHBondContact OG-N 3.42Å; E248-N250 PolarHBondContact O-N 3.09Å
249W36.3Very low42.6Very low232 Ų232149.4 Ų149.488%0.87976%0.763SS**G310 helixtrans-71-8.8169-79.181.7000113.6S251W249-S251 PolarHBondContact O-N 3.02Å
250N34.5Very low41.4Very low139 Ų139153 Ų15374%0.74378%0.777SS**  trans-9566177.3-65.7-29.2000111.2E248E248-N250 PolarHBondContact O-N 3.09Å
251S31.3Very low40.2Very low92 Ų92155 Ų15564%0.64377%0.773SS**SBendtrans-150.284.4175.2-76.30000112.9W249W249-S251 PolarHBondContact O-N 3.02Å
252T42.4Very low39Very low139 Ų139158.1 Ų158.185%0.85380%0.801SS**SBendtrans42.677.615049.20000118.1
253E35.5Very low38.3Very low189 Ų189155.7 Ų155.788%0.88378%0.777SS**SBend-165160.6125.8-105.5165.3-162.700108.9Q255E253-Q255 PolarHBondContact O-N 3.07Å
254L35.5Very low38.1Very low171 Ų171158.7 Ų158.790%0.89579%0.785SS**  trans61.831.6-174.4-63.8173.5000117.2E256L254-E256 PolarHBondContact O-N 3.17Å
255Q34.6Very low37.7Very low189 Ų189157.4 Ų157.488%0.88378%0.783SS**  trans-84.384.9158.5-176.3174.2-700110.5E253E253-Q255 PolarHBondContact O-N 3.07Å
256E35.2Very low37.6Very low182 Ų182159 Ų15985%0.8578%0.783SS**SBendtrans-159.7-39.6157.7-120161-144.200115L254 Y258L254-E256 PolarHBondContact O-N 3.17Å; E256-Y258 PolarHBondContact O-N 3.18Å
257D39.4Very low38Very low146 Ų146165.5 Ų165.578%0.78180%0.803SS**SBendtrans-88.62.2-161.4-86.4-36000118.9
258Y34.9Very low37.8Very low225 Ų225161.8 Ų161.888%0.88280%0.8SS**  trans-11431.9-173.3-84.8-79.6000116E256 L260E256-Y258 PolarHBondContact O-N 3.18Å; Y258-L260 VanDerWaalsContact C-N 3.28Å; Y258-L260 PolarHBondContact O-N 3.35Å
259L41.9Very low38.3Very low166 Ų166159.5 Ų159.587%0.86980%0.803SS**  trans-8530.8179.7-109.7174.5000115.3
260L37.8Very low38.5Very low159 Ų159150.8 Ų150.883%0.83279%0.785SS**SBendtrans-135.9125.4179.6-71.8176.2000114.2Y258Y258-L260 VanDerWaalsContact C-N 3.28Å; Y258-L260 PolarHBondContact O-N 3.35Å
261R34.6Very low39.2Very low205 Ų205151.6 Ų151.677%0.77479%0.788SS**  trans57.588.6167.6-68.5-170.6112.5-1716.1118.2E263R261-E263 IonicContact CZ-OE1 3.91Å; R261-E263 IonicContact NE-OE1 2.89Å; R261-E263 PolarHBondContact NE-OE1 3.33Å; R261-E263 IonicContact NH2-OE1 3.88Å; R261-E263 PolarHBondContact NH2-OE1 3Å
262T34.8Very low39.8Very low143 Ų143155.9 Ų155.988%0.87780%0.798SS**  trans-95.9107.9140.5-50.50000108.3
263E34.4Very low39.8Very low90 Ų90155.4 Ų155.442%0.42179%0.789SS.*  trans-82.2124.3177.7-76.8-72.7163.900110.7R261 N265R261-E263 IonicContact CZ-OE1 3.91Å; R261-E263 IonicContact NE-OE1 2.89Å; R261-E263 PolarHBondContact NE-OE1 3.33Å; R261-E263 IonicContact NH2-OE1 3.88Å; R261-E263 PolarHBondContact NH2-OE1 3Å; E263-N265 PolarHBondContact O-N 3.23Å
264P46.6Very low40Very low128 Ų128154 Ų15483%0.83179%0.788SS**THydrogen-bonded Turntrans-84.838.9-170.336.3-38.4000113.4
265N41Very low40.2Very low111 Ų111153.9 Ų153.959%0.59478%0.783SS**THydrogen-bonded Turntrans-133.70.6-169.770.36.9000116.6E263 K267E263-N265 PolarHBondContact O-N 3.23Å; N265-K267 VanDerWaalsContact C-N 3.33Å; N265-K267 PolarHBondContact O-N 2.88Å
266M42.8Very low40.2Very low183 Ų183152.6 Ų152.690%0.90178%0.781SS**  trans-71.888.2171.2-76.4-171.765.600110.8D268M266-D268 PolarHBondContact O-N 3.38Å
267K46.6Very low40Very low194 Ų194150 Ų15084%0.84378%0.782SS**  trans-71116164.5-69.1-167.8174.4-166.40109.1N265N265-K267 VanDerWaalsContact C-N 3.33Å; N265-K267 PolarHBondContact O-N 2.88Å
268D34.8Very low39.6Very low147 Ų147148.1 Ų148.179%0.78678%0.78SS**  trans-60.4143.5166.5-172.415000109.8M266 G270M266-D268 PolarHBondContact O-N 3.38Å; D268-G270 VanDerWaalsContact C-N 3.26Å; D268-G270 PolarHBondContact OD1-N 2.65Å
269S50Low39.4Very low119 Ų119143.1 Ų143.183%0.83278%0.777SS**  trans-99.140.2174.5-61.90000110.6
270G41.1Very low38.6Very low50 Ų50139.4 Ų139.452%0.51577%0.771SS.*  trans-67.7144.4171.600000111.4D268 E272D268-G270 VanDerWaalsContact C-N 3.26Å; D268-G270 PolarHBondContact OD1-N 2.65Å; G270-E272 PolarHBondContact O-N 3.33Å; G270-E272 VanDerWaalsContact O-N 3.15Å
271I47.3Very low38.1Very low155 Ų155137.1 Ų137.180%0.79577%0.768SS**  trans-71.3105173.445.2164.2000110L273I271-L273 PolarHBondContact O-N 2.99Å; I271-L273 VanDerWaalsContact O-N 3.11Å
272E45.1Very low37.8Very low182 Ų182135 Ų13585%0.8577%0.771SS**  trans-64.8110171.3-170.1167-161.300108.8G270G270-E272 PolarHBondContact O-N 3.33Å; G270-E272 VanDerWaalsContact O-N 3.15Å
273L41.9Very low37.5Very low130 Ų130133.3 Ų133.368%0.68177%0.766SS**  trans-77.9120.3175.9-71.5170.9000108.3I271 H275I271-L273 PolarHBondContact O-N 2.99Å; I271-L273 VanDerWaalsContact O-N 3.11Å; L273-H275 PolarHBondContact O-CD2 3.38Å; L273-H275 PolarHBondContact O-N 3.41Å
274D40.8Very low37.1Very low160 Ų160132.2 Ų132.286%0.85678%0.778SS**  trans-5296.1-179.4-74.4-59.1000112.1L276D274-L276 PolarHBondContact O-N 3.45Å
275H39.1Very low36.4Very low168 Ų168136.6 Ų136.678%0.77879%0.785SS**  trans-68.7114.4172.4-75.7-70.8000108.7L273 C277L273-H275 PolarHBondContact O-CD2 3.38Å; L273-H275 PolarHBondContact O-N 3.41Å; H275-C277 PolarHBondContact O-N 2.95Å
276L34Very low36Very low161 Ų161138.1 Ų138.184%0.84379%0.788SS**  trans-53.197.1-174.1-68.9170.7000112.2D274 S278D274-L276 PolarHBondContact O-N 3.45Å; L276-S278 PolarHBondContact O-N 3.32Å; L276-S278 PolarHBondContact O-OG 2.84Å
277C31.1Very low35.5Very low129 Ų129135.6 Ų135.687%0.87279%0.785SS**  trans-72.387.1-168.1-1650000112.1H275H275-C277 PolarHBondContact O-N 2.95Å
278S31Very low34.7Very low106 Ų106130.8 Ų130.874%0.74178%0.776SS**  trans-106.676-177.1-59.40000112L276L276-S278 PolarHBondContact O-N 3.32Å; L276-S278 PolarHBondContact O-OG 2.84Å
279S31.6Very low34.4Very low119 Ų119133 Ų13383%0.83278%0.782SS**  trans-167.7152.6148.5-86.70000112.3
280A25.3Very low33.4Very low89 Ų89132.9 Ų132.974%0.73678%0.781SS**  trans-92.1175.3-169.100000114.3
281S26.6Very low32.8Very low111 Ų111134.1 Ų134.178%0.77679%0.794SS**  trans79110.6156.8-56.30000118.8
282L28.2Very low32Very low160 Ų160130.9 Ų130.984%0.83880%0.799SS**  -170102114.4-91.9164000106.4
283S28.1Very low31.2Very low108 Ų108126 Ų12676%0.75580%0.797SS**  67.1115.395.275.30000114.3
284G27Very low30.7Very low67 Ų67131.6 Ų131.669%0.69181%0.809SS**  trans170.37117400000114.5
285F31.4Very low30.2Very low219 Ų219129.4 Ų129.496%0.96181%0.807SS**  trans-172.1150.6132.1-96.2-61.8000110.5
286E31.3Very low29.9Very low144 Ų144131.7 Ų131.767%0.67381%0.808SS**  trans-62.6152-179.7-78.6-92.6-170.400112.9S288E286-S288 WeakPolarHBondContact OE2-CA 3.37Å; E286-S288 PolarHBondContact OE2-N 3.04Å; E286-S288 PolarHBondContact OE2-OG 2.68Å
287P34.1Very low29.7Very low129 Ų129129.8 Ų129.884%0.83880%0.799SS**  -132146.587.338-29.1000115
288S28.3Very low29.7Very low94 Ų94133.5 Ų133.566%0.65780%0.795SS**  trans-84.9136.2-179.9-32.50000112.3E286E286-S288 WeakPolarHBondContact OE2-CA 3.37Å; E286-S288 PolarHBondContact OE2-N 3.04Å; E286-S288 PolarHBondContact OE2-OG 2.68Å
289E30.1Very low29.5Very low193 Ų193133.5 Ų133.590%0.90280%0.795SS**  trans-146.3167.4151.9-132.1-176.7132.800112.7
290S28.3Very low29.2Very low117 Ų117131.6 Ų131.682%0.81879%0.794SS**  trans-64.2170.8-163.272.70000116.7
291G29.2Very low29.4Very low75 Ų75132.8 Ų132.877%0.77380%0.797SS**  trans-175.8-57162.900000117.4
292G28.6Very low30Very low88 Ų88133.6 Ų133.691%0.90780%0.799SS**  trans69.1-175.9-172.100000114.1
293G29.3Very low29.8Very low79 Ų79132.9 Ų132.981%0.81480%0.796SS**  trans126.690.1176.200000115.1
294R31.3Very low30.6Very low247 Ų247132 Ų13293%0.93279%0.788SS**  trans-50.5145.2170.6-60.8150.3151.8-114-0.9112.9
295S30.3Very low30.8Very low115 Ų115137.2 Ų137.280%0.80480%0.795SS**  165.4152105.6-171.50000115.4
296R33.1Very low30.6Very low215 Ų215131.1 Ų131.181%0.81178%0.775SS**  trans-39.3163.8145.1-82.9174177.8177-0.7114.4
297D29.2Very low30.3Very low121 Ų121132.9 Ų132.965%0.64778%0.781SS**  cis-158.9173.325.2-133.2-37.4000116.2
298R31.1Very low30.1Very low208 Ų208134 Ų13479%0.78578%0.779SS**  trans15.2121.8151.2-86.2171.1178.7-96.70.8123.8
299S28.2Very low29.9Very low105 Ų105133.2 Ų133.273%0.73478%0.778SS**  36130.112068.80000122.7
300G25.3Very low29.7Very low79 Ų79129.8 Ų129.881%0.81478%0.775SS**  trans159.1121.2148.400000116.9
301S29Very low29.7Very low115 Ų115128.6 Ų128.680%0.80477%0.767SS**  trans-80.5154.6153.2560000109.4
302P38Very low29.5Very low127 Ų127132 Ų13283%0.82577%0.768SS**  -149-175.351.242.2-20.9000117.8
303D24.9Very low29.6Very low145 Ų145134.3 Ų134.378%0.77576%0.764SS**  trans-82.2177.3169.2-162.139.4000111
304P45.6Very low30.1Very low90 Ų90135.9 Ų135.958%0.58476%0.76SS**  cis-130.2-170.2-11.514.113.4000115.9
305Q29.3Very low30.8Very low177 Ų177129.3 Ų129.383%0.82775%0.749SS**  trans88.1149.1160.9-48.8-160.414.500117.1
306V27.6Very low30.8Very low91 Ų91129.5 Ų129.555%0.55275%0.749SS**  cis-156.7151.61088.20000113.9
307F26.1Very low30.3Very low180 Ų180125.1 Ų125.179%0.78975%0.751SS**  trans53.8157.3159.1-57.1-37.5000120
308L28.6Very low30.5Very low153 Ų153125.7 Ų125.780%0.80176%0.759SS**  cis-168.9165.1-14.8-104.7169.3000105.6
309A25.4Very low31.1Very low77 Ų77121.1 Ų121.164%0.63676%0.756SS**  cis-154.7167.711.200000112.3
310S25.2Very low30.9Very low121 Ų121124 Ų12485%0.84676%0.763SS**  trans65.2146.4167.1-650000118.5
311S27.6Very low31Very low92 Ų92125 Ų12564%0.64376%0.758SS**  cis-140.9153.44.3-151.90000113.1
312D26Very low31.1Very low148 Ų148127.9 Ų127.979%0.79176%0.762SS**  trans65.2144.3162.3-58.8-66.1000120.1
313V30Very low30.5Very low135 Ų135125.7 Ų125.782%0.81876%0.755SS**  trans-130.8139.4-163.7172.90000111
314P40.1Very low30.8Very low113 Ų113125.6 Ų125.673%0.73475%0.754SS**  trans-89.9-143.3175.937.3-33.9000112.6
315P46.5Very low30.2Very low109 Ų109129.2 Ų129.271%0.70877%0.768SS**  -120.7176.3-108.540-23.7000116.3
316C29Very low30.4Very low118 Ų118125.8 Ų125.880%0.79776%0.759SS**  trans68.1120.5161.2-640000119.7
317S23.3Very low30.3Very low124 Ų124126.4 Ų126.487%0.86777%0.767SS**  -174.1135.9127.2-81.90000113.5
318T33.5Very low30.6Very low132 Ų132125.6 Ų125.681%0.8177%0.77SS**  trans-68.8166.1156.943.80000110.6
319P43.6Very low30.5Very low112 Ų112122.3 Ų122.373%0.72776%0.76SS**  cis-155.7-15839.241.2-16.1000117.4
320L24.6Very low30.7Very low165 Ų165124.4 Ų124.486%0.86477%0.765SS**  trans99.7139.4152.8-80.2162.4000121.4
321S27.2Very low30.7Very low102 Ų102125.2 Ų125.271%0.71376%0.76SS**  trans-105.4163.4-166.1-32.90000113.2
322I30.2Very low30.7Very low175 Ų175125.3 Ų125.390%0.89776%0.761SS**  trans-176.4146.9153.3-99.8147.3000108
323A27.1Very low31Very low81 Ų81125.8 Ų125.867%0.66976%0.762SS**  cis-162167.7-27.100000110.7
324N30.7Very low30.8Very low142 Ų142126 Ų12676%0.75976%0.759SS**  trans-38.7148.1179.1-48.2-37.8000119.7
325L32.6Very low30.2Very low166 Ų166125.1 Ų125.187%0.86975%0.754SS**  -145.1100.2121.5-76.8-177.8000108.1
326T33.3Very low29.5Very low106 Ų106126.5 Ų126.565%0.6576%0.761SS**  46.8110.59655.60000115.1
327S26.4Very low29.7Very low103 Ų103131.9 Ų131.972%0.7276%0.764SS**  94.2138.683.9-160.30000110.4
328L31.6Very low30Very low163 Ų163132 Ų13285%0.85376%0.755SS**  cis-144.6-16545.2-72.2157.2000110.9
329S25.9Very low29.9Very low84 Ų84136.5 Ų136.559%0.58776%0.757SS**  166.1145.3-52.5-1680000109.3
330V31.4Very low29.4Very low121 Ų121135.9 Ų135.973%0.73376%0.762SS**  trans56157.4171.7-68.90000117.6
331D24.9Very low29.5Very low138 Ų138131.2 Ų131.274%0.73875%0.753SS**  cis-149.4147.1-10.3-110.7-32.3000106.6
332S27.6Very low30.1Very low95 Ų95132.3 Ų132.366%0.66476%0.761SS**  72.9150.876.9-1580000116.2
333L30.8Very low30.2Very low157 Ų157131 Ų13182%0.82276%0.756SS**  trans74.8149.8176.6-56.5-179.2000118.3
334D26.8Very low30.7Very low140 Ų140136.2 Ų136.275%0.74977%0.767SS**  cis-162.8-175.3-29.9-153.2-5.3000111.9
335C27.7Very low30.7Very low95 Ų95134.2 Ų134.264%0.64276%0.764SS**  trans-42.7144.3-175.8-69.30000121.7
336T30.7Very low30.7Very low137 Ų137136 Ų13684%0.8476%0.759SS**  trans33.4136.5135.267.80000122.8
337R33.4Very low30.6Very low232 Ų232137.2 Ų137.288%0.87576%0.762SS**  -160.1158.9118.7-149.4159-170.9167.36.1115
338D30.1Very low30.8Very low127 Ų127135.4 Ų135.468%0.67976%0.759SS**  trans-78.4162.6173.20.2-124.9000114
339R32.2Very low30.8Very low225 Ų225135 Ų13585%0.84976%0.757SS**  150.4125.9107-179.2168.4-73.4-142.6-4.7114.8
340A31.8Very low31.2Very low99 Ų99137.4 Ų137.482%0.81876%0.764SS**  trans60.1154.1161.200000117.7
341G27.9Very low31.4Very low67 Ų67140.8 Ų140.869%0.69177%0.765SS**  cis119107.5-4.100000113.4
342S39.6Very low31.9Very low125 Ų125141 Ų14187%0.87476%0.761SS**  trans-166.6132.1158.6-78.50000109.5
343D32.6Very low32.1Very low149 Ų149144.1 Ų144.180%0.79777%0.765SS**  trans-77.1-175.1171.4-59.2-82.3000112.2
344Q36.2Very low32.2Very low190 Ų190144.7 Ų144.789%0.88876%0.763SS**  trans87.6149.1161.8-59.6175.683.400117.8
345S30.3Very low32.4Very low100 Ų100142.6 Ų142.670%0.69977%0.765SS**  cis-173.8174.7-23.9-170.90000109.4
346R33.6Very low32.5Very low203 Ų203147.8 Ų147.877%0.76678%0.78SS**  trans76.5130.4159.7-57.4-179.882.5169.84.7119.4
347N31.5Very low32.5Very low132 Ų132146.2 Ų146.271%0.70678%0.781SS**  46.7140.4127-50.128.5000120.1
348G29.9Very low32.3Very low64 Ų64140.1 Ų140.166%0.6678%0.78SS**  cis157.4-172.3-1.200000113.4
349D31.8Very low32.3Very low154 Ų154139.5 Ų139.582%0.82479%0.786SS**  trans75140159.7-48.4-29.9000119.9
350D35.1Very low32.2Very low135 Ų135134.3 Ų134.372%0.72278%0.784SS**  trans-77.4169.6-177.4-89.5-62.9000113.8
351Y34.5Very low32.1Very low192 Ų192135 Ų13575%0.75378%0.783SS**  167.1132.1103.7-83.9-60.6000116.4
352Q34.8Very low32.2Very low142 Ų142136.1 Ų136.166%0.66479%0.786SS**  trans54.3107.6141.4-72.2164.5-70.300123.2
353H32Very low31.8Very low162 Ų162133.9 Ų133.975%0.7577%0.774SS**  50.3156.3106.3-67.2-67.9000124.1
354H33.4Very low31.8Very low169 Ų169136.9 Ų136.978%0.78278%0.781SS**  trans79.4117.1171.1-47.2-74.6000114.8
355A31.1Very low31.7Very low96 Ų96135.8 Ų135.879%0.79378%0.779SS**  cis93.411321.600000115.8
356E29.7Very low31.6Very low203 Ų203142.1 Ų142.195%0.94979%0.788SS**  trans-160.8163.1158.8-122.9172.1-143.100110.2
357A30.9Very low31.5Very low105 Ų105137.9 Ų137.987%0.86879%0.79SS**  trans-155.6142.5-169.200000115.7
358A28.6Very low31.5Very low103 Ų103135.6 Ų135.685%0.85179%0.789SS**  trans-168163.5161.400000109.6
359S30.1Very low31.8Very low114 Ų114140 Ų14080%0.79780%0.797SS**  cis-179.2156.3-34.1-175.30000107
360S29.8Very low31.9Very low117 Ų117139.1 Ų139.182%0.81880%0.797SS**  trans74.1136.9-179.7-160.80000114.9
361S30.1Very low31.8Very low114 Ų114140.5 Ų140.580%0.79780%0.804SS**  cis-162.7-157.7-16.6-170.30000110.2
362A29.9Very low31.9Very low90 Ų90136.9 Ų136.974%0.74480%0.804SS**  trans-68.5161.7-177.300000114.6
363A31Very low31.8Very low77 Ų77142.1 Ų142.164%0.63682%0.818SS**  cis-166.9159.935.800000114.7
364F33.5Very low31.9Very low213 Ų213139.5 Ų139.593%0.93482%0.817SS**  trans61.7132.1167.8-65.1-72.6000119.5
365I34.7Very low32Very low166 Ų166142 Ų14285%0.85182%0.82SS**  trans-105.1134.7-170.7-61.8167.8000110.9
366R27.5Very low31.9Very low233 Ų233148.9 Ų148.988%0.87983%0.826SS**  trans-155136.3147.6-132.6171.8-173.7145.42.6112.3
367S30.8Very low32Very low115 Ų115145 Ų14580%0.80482%0.815SS**  trans87.9150.2169.7-500000118.5
368A32.9Very low32Very low84 Ų84143.8 Ų143.869%0.69481%0.813SS**  trans7294.2168.400000119.8
369N35.5Very low32.2Very low155 Ų155142.4 Ų142.483%0.82981%0.809SS**  59.2157.5119.7-56.1-6.8000122.8
370V33.9Very low32.7Very low136 Ų136146.6 Ų146.682%0.82482%0.816SS**  trans72.692.7167.6-164.20000116.4
371L33.2Very low33.5Very low164 Ų164147.3 Ų147.386%0.85982%0.815SS**  trans-82.4149.2148.7-78.2172000109.9
372P35.7Very low34.1Very low117 Ų117147.6 Ų147.676%0.7681%0.808SS**  trans-77.2136-169.930.1-35.4000113.3S374P372-S374 PolarHBondContact O-N 2.83Å
373R33.7Very low35.2Very low251 Ų251151.3 Ų151.395%0.94781%0.81SS**  trans-85.1108.6173.9-171.1174.6-173.7167.32.1110.1
374S33.3Very low36.6Very low107 Ų107155.3 Ų155.375%0.74882%0.815SS**  trans-69.6149.317450.20000111.8P372P372-S374 PolarHBondContact O-N 2.83Å
375R35.7Very low37.5Very low223 Ų223152.8 Ų152.884%0.84280%0.804SS**  trans-103.5103-172.2176.4-161.1-98.5-164.5-6111.7V377R375-V377 HydrophobicContact CG-CG2 3.96Å
376W29.7Very low38.7Very low239 Ų239154.8 Ų154.891%0.90580%0.801SS**  trans-141.7118.6153.5-67.287.2000105.1
377V31.2Very low40Very low121 Ų121149.2 Ų149.273%0.73380%0.795SS**  cis80.995.739.3-174.40000112.7R375R375-V377 HydrophobicContact CG-CG2 3.96Å
378G31.2Very low40.8Very low80 Ų80151.2 Ų151.283%0.82580%0.796SS**  trans116.5113.2154.500000116.8
379G33.5Very low42.1Very low74 Ų74152.2 Ų152.276%0.76380%0.796SS**SBendtrans105.5126.7160.200000116.1
380E39.1Very low43.3Very low202 Ų202154.1 Ų154.194%0.94480%0.8SS**  trans20.8108.4161.4-63.9179.3161.300118.6
381V46.5Very low44.6Very low132 Ų132154 Ų15480%0.879%0.79SS**  trans-100.5138.2154.9175.70000107.1E383V381-E383 PolarHBondContact O-N 3.41Å
382D43.2Very low46.1Very low121 Ų121152 Ų15265%0.64778%0.779SS**  trans-61.5124.4178.3-62.9-65.8000112.2E384 F385D382-E384 PolarHBondContact O-N 3.45Å; D382-F385 PolarHBondContact O-N 2.95Å
383E53.1Low47.7Very low168 Ų168152.4 Ų152.479%0.78577%0.769SS**THydrogen-bonded Turntrans-64.93.3174.6-65-78.7-177.500113.6V381V381-E383 PolarHBondContact O-N 3.41Å
384E60.9Low49.5Very low160 Ų160148.6 Ų148.675%0.74876%0.762SS**THydrogen-bonded Turntrans-84.8-22.1179.8-169159.7-13300112.8D382D382-E384 PolarHBondContact O-N 3.45Å
385F51.4Low51.4Low160 Ų160148.7 Ų148.770%0.70275%0.754SS**  trans-106.775.4-175.4-71-80.1000113.8D382D382-F385 PolarHBondContact O-N 2.95Å
386W60.9Low53.3Low209 Ų209143.9 Ų143.979%0.79274%0.741SS**PPolyproline II helixtrans-60.9125.4163.6-68.186.2000110.3L388W386-L388 PolarHBondContact O-N 3.34Å
387P53.6Low55.8Low116 Ų116138.4 Ų138.475%0.75373%0.725SS**PPolyproline II helixtrans-64.6133.2176.526.2-33.2000110.5
388L49Very low58Low157 Ų157137.3 Ų137.382%0.82272%0.715SS**PPolyproline II helixtrans-60.6135-177.6-70.8168.1000111.4W386 E390W386-L388 PolarHBondContact O-N 3.34Å; L388-E390 PolarHBondContact O-N 3.48Å
389P60.6Low60.4Low105 Ų105136.1 Ų136.168%0.68269%0.694SS**PPolyproline II helixtrans-60119.1176.9-25.334.8000112.4Q391P389-Q391 PolarHBondContact O-N 2.9Å
390E59.9Low62.8Low195 Ų195140.3 Ų140.391%0.91169%0.687SS**SBendtrans-68.24.3-169.5-60.1-171.613800115.8L388L388-E390 PolarHBondContact O-N 3.48Å
391Q60.5Low65Low134 Ų134135.6 Ų135.663%0.62667%0.665SS**  trans-137.669.4-175.1-64.7-166.48.100114.4P389 K393P389-Q391 PolarHBondContact O-N 2.9Å; Q391-K393 PolarHBondContact O-N 3.48Å
392L64.6Low66.9Low120 Ų120133.9 Ų133.963%0.62865%0.654SS**  trans-72.263.9166.4-64.9178.5000112.3E394 L395 Q396L392-E394 PolarHBondContact O-N 2.9Å; L392-L395 HydrophobicContact CB-CB 4.1Å; L392-L395 HydrophobicContact CD1-CD2 4.41Å; L392-L395 PolarHBondContact O-N 3.35Å; L392-Q396 PolarHBondContact O-N 2.9Å; L392-Q396 VanDerWaalsContact O-N 3.11Å
393K69.3Low68.8Low127 Ų127136.9 Ų136.955%0.55266%0.656SS**Hα-helixtrans-54.7-37177.3-76.3165.1171.4150.70112.3Q391 Q396 Q397Q391-K393 PolarHBondContact O-N 3.48Å; K393-Q396 WeakPolarHBondContact O-CB 3.47Å; K393-Q396 PolarHBondContact O-N 3.43Å; K393-Q397 WeakPolarHBondContact O-CB 3.37Å; K393-Q397 PolarHBondContact O-N 2.8Å
394E71.8Confident70.3Confident170 Ų170134.3 Ų134.379%0.79464%0.644SS**Hα-helixtrans-62.9-46.3177.9-66172.2-167.800112.1L392 Q396 Q397 L398L392-E394 PolarHBondContact O-N 2.9Å; E394-Q396 VanDerWaalsContact C-N 3.32Å; E394-Q396 PolarHBondContact O-N 3.5Å; E394-Q397 PolarHBondContact O-N 3.18Å; E394-L398 WeakPolarHBondContact O-CB 3.25Å; E394-L398 PolarHBondContact O-N 3.01Å
395L73.6Confident71.3Confident110 Ų110130.8 Ų130.858%0.57663%0.634SS**Hα-helixtrans-66.1-37.1176.6-168.470.5000111.3L392 L398 S399L392-L395 HydrophobicContact CB-CB 4.1Å; L392-L395 HydrophobicContact CD1-CD2 4.41Å; L392-L395 PolarHBondContact O-N 3.35Å; L395-L398 PolarHBondContact O-N 3.1Å; L395-S399 WeakPolarHBondContact O-CB 3.47Å; L395-S399 PolarHBondContact O-N 3.06Å
396Q75.6Confident72.6Confident122 Ų122125.5 Ų125.557%0.5762%0.619SS**Hα-helixtrans-63.9-40.3173.4-166.2-176.316.600111.6L392 K393 E394 S399 R400L392-Q396 PolarHBondContact O-N 2.9Å; L392-Q396 VanDerWaalsContact O-N 3.11Å; K393-Q396 WeakPolarHBondContact O-CB 3.47Å; K393-Q396 PolarHBondContact O-N 3.43Å; E394-Q396 VanDerWaalsContact C-N 3.32Å; E394-Q396 PolarHBondContact O-N 3.5Å; Q396-S399 PolarHBondContact O-N 3.15Å; Q396-S399 PolarHBondContact O-OG 3.12Å; Q396-R400 PolarHBondContact O-N 3.11Å; Q396-R400 VanDerWaalsContact O-N 3.08Å
397Q81.3Confident73.1Confident123 Ų123118.7 Ų118.758%0.57561%0.607SS**Hα-helixtrans-69.8-40.7177.6-173.2159.3-18.400112K393 E394 S399 R400 Q401K393-Q397 WeakPolarHBondContact O-CB 3.37Å; K393-Q397 PolarHBondContact O-N 2.8Å; E394-Q397 PolarHBondContact O-N 3.18Å; Q397-S399 VanDerWaalsContact C-N 3.34Å; Q397-S399 PolarHBondContact O-N 2.77Å; Q397-R400 WeakPolarHBondContact O-CB 3.45Å; Q397-R400 PolarHBondContact O-N 2.83Å; Q397-R400 VanDerWaalsContact O-N 3.15Å; Q397-Q401 PolarHBondContact O-N 3.05Å
398L78.1Confident73.6Confident98 Ų98120.4 Ų120.451%0.51361%0.605SS.*Hα-helixtrans-60.5-43.6171.4-159.377.9000111E394 L395 R400 Q401 V402E394-L398 WeakPolarHBondContact O-CB 3.25Å; E394-L398 PolarHBondContact O-N 3.01Å; L395-L398 PolarHBondContact O-N 3.1Å; L398-R400 PolarHBondContact O-N 2.81Å; L398-Q401 PolarHBondContact O-N 3.26Å; L398-V402 WeakPolarHBondContact O-CG2 3.02Å; L398-V402 PolarHBondContact O-N 2.85Å
399S82.6Confident74.4Confident55 Ų55119.4 Ų119.439%0.38560%0.6SS.*Hα-helixtrans-63.8-28.1176.483.90000113.4L395 Q396 Q397 R403L395-S399 WeakPolarHBondContact O-CB 3.47Å; L395-S399 PolarHBondContact O-N 3.06Å; Q396-S399 PolarHBondContact O-N 3.15Å; Q396-S399 PolarHBondContact O-OG 3.12Å; Q397-S399 VanDerWaalsContact C-N 3.34Å; Q397-S399 PolarHBondContact O-N 2.77Å; S399-R403 VanDerWaalsContact O-CB 3.31Å; S399-R403 WeakPolarHBondContact O-CB 3.43Å; S399-R403 PolarHBondContact O-N 3.16Å
400R83.5Confident74.1Confident163 Ų163117.9 Ų117.962%0.61559%0.591SS**Hα-helixtrans-73-48.4173.9-172.1-174.4-60.8-981.1110.5Q396 Q397 L398 V402 R403 E404Q396-R400 PolarHBondContact O-N 3.11Å; Q396-R400 VanDerWaalsContact O-N 3.08Å; Q397-R400 WeakPolarHBondContact O-CB 3.45Å; Q397-R400 PolarHBondContact O-N 2.83Å; Q397-R400 VanDerWaalsContact O-N 3.15Å; L398-R400 PolarHBondContact O-N 2.81Å; R400-V402 PolarHBondContact O-N 3.15Å; R400-R403 PolarHBondContact O-N 3.34Å; R400-R403 VanDerWaalsContact O-N 3.16Å; R400-E404 WeakPolarHBondContact O-CB 3.34Å; R400-E404 PolarHBondContact O-N 2.85Å
401Q84.3Confident73.7Confident103 Ų103114.2 Ų114.248%0.48158%0.584SS.*Hα-helixtrans-59.4-45.4176.7-71.9173.9-28.600111.8Q397 L398 R403 E404 V405Q397-Q401 PolarHBondContact O-N 3.05Å; L398-Q401 PolarHBondContact O-N 3.26Å; Q401-R403 VanDerWaalsContact C-N 3.31Å; Q401-R403 PolarHBondContact O-N 2.84Å; Q401-E404 PolarHBondContact O-N 2.72Å; Q401-V405 WeakPolarHBondContact O-CG2 3.49Å; Q401-V405 PolarHBondContact O-N 2.75Å
402V86.6Confident73Confident95 Ų95113.7 Ų113.758%0.57659%0.593SS**Hα-helixtrans-61.3-39175.8171.50000111.6L398 R400 A406L398-V402 WeakPolarHBondContact O-CG2 3.02Å; L398-V402 PolarHBondContact O-N 2.85Å; R400-V402 PolarHBondContact O-N 3.15Å; V402-A406 VanDerWaalsContact O-CB 3.25Å; V402-A406 WeakPolarHBondContact O-CB 3.41Å; V402-A406 PolarHBondContact O-N 2.97Å
403R84.5Confident71.7Confident185 Ų185113 Ų11370%0.69860%0.604SS**Hα-helixtrans-70.7-36.1177.1-168.8179.6-56.3-177.43.1112.9S399 R400 Q401 A406 A407S399-R403 VanDerWaalsContact O-CB 3.31Å; S399-R403 WeakPolarHBondContact O-CB 3.43Å; S399-R403 PolarHBondContact O-N 3.16Å; R400-R403 PolarHBondContact O-N 3.34Å; R400-R403 VanDerWaalsContact O-N 3.16Å; Q401-R403 VanDerWaalsContact C-N 3.31Å; Q401-R403 PolarHBondContact O-N 2.84Å; R403-A406 PolarHBondContact O-N 2.83Å; R403-A407 WeakPolarHBondContact O-CB 3.17Å; R403-A407 PolarHBondContact O-N 3.44Å
404E84Confident70Confident114 Ų114113.7 Ų113.753%0.53362%0.619SS.*Hα-helixtrans-68.5-44.2176.4-173.6172.7176.700111.3R400 Q401 A407 Q408R400-E404 WeakPolarHBondContact O-CB 3.34Å; R400-E404 PolarHBondContact O-N 2.85Å; Q401-E404 PolarHBondContact O-N 2.72Å; E404-A407 PolarHBondContact O-N 2.99Å; E404-Q408 WeakPolarHBondContact O-CG 3.16Å; E404-Q408 PolarHBondContact O-N 3.11Å; E404-Q408 VanDerWaalsContact O-N 3.16Å
405V82.3Confident68.2Low86 Ų86109.9 Ų109.952%0.52162%0.617SS.*Hα-helixtrans-60.8-46.4170.2172.60000110.6Q401 A407 Q408 I409Q401-V405 WeakPolarHBondContact O-CG2 3.49Å; Q401-V405 PolarHBondContact O-N 2.75Å; V405-A407 VanDerWaalsContact C-N 3.26Å; V405-A407 PolarHBondContact O-N 3.27Å; V405-Q408 WeakPolarHBondContact O-CB 3.42Å; V405-Q408 PolarHBondContact O-N 3.45Å; V405-I409 HydrophobicContact CG1-CD1 4.38Å; V405-I409 WeakPolarHBondContact O-CG1 3.18Å; V405-I409 PolarHBondContact O-N 2.93Å
406A78.2Confident67.1Low48 Ų48110 Ų11040%0.39762%0.624SS.*Hα-helixtrans-58-36.4177.600000113.2V402 R403 Q408 I409 S410V402-A406 VanDerWaalsContact O-CB 3.25Å; V402-A406 WeakPolarHBondContact O-CB 3.41Å; V402-A406 PolarHBondContact O-N 2.97Å; R403-A406 PolarHBondContact O-N 2.83Å; A406-Q408 VanDerWaalsContact C-N 3.35Å; A406-I409 PolarHBondContact O-N 3.06Å; A406-S410 PolarHBondContact O-OG 3.5Å
407A71.1Confident64.7Low66 Ų66110 Ų11055%0.54564%0.637SS.*Hα-helixtrans-70.4-27.5174.500000113.1R403 E404 V405 S410R403-A407 WeakPolarHBondContact O-CB 3.17Å; R403-A407 PolarHBondContact O-N 3.44Å; E404-A407 PolarHBondContact O-N 2.99Å; V405-A407 VanDerWaalsContact C-N 3.26Å; V405-A407 PolarHBondContact O-N 3.27Å; A407-S410 PolarHBondContact O-OG 3.02Å
408Q63.8Low61.9Low152 Ų152108.3 Ų108.371%0.7164%0.644SS**Hα-helixtrans-77.4-24.4175.3-68.1174.73800113.2E404 V405 A406E404-Q408 WeakPolarHBondContact O-CG 3.16Å; E404-Q408 PolarHBondContact O-N 3.11Å; E404-Q408 VanDerWaalsContact O-N 3.16Å; V405-Q408 WeakPolarHBondContact O-CB 3.42Å; V405-Q408 PolarHBondContact O-N 3.45Å; A406-Q408 VanDerWaalsContact C-N 3.35Å
409I66.2Low59.6Low137 Ų137108.5 Ų108.570%0.70365%0.653SS**SBendtrans-88.3-1.7175.84.8170.9000114.2V405 A406V405-I409 HydrophobicContact CG1-CD1 4.38Å; V405-I409 WeakPolarHBondContact O-CG1 3.18Å; V405-I409 PolarHBondContact O-N 2.93Å; A406-I409 PolarHBondContact O-N 3.06Å
410S53.2Low57.1Low72 Ų72112.8 Ų112.850%0.50367%0.671SS.*SBendtrans-112.8111.1-178.335.60000111.9A406 A407A406-S410 PolarHBondContact O-OG 3.5Å; A407-S410 PolarHBondContact O-OG 3.02Å
411P52.3Low54.4Low118 Ų118110.5 Ų110.577%0.76667%0.671SS**  trans-63.3144.5178.2-23.534.3000112.8A413P411-A413 PolarHBondContact O-N 3.32Å
412P46.4Very low51.8Low124 Ų124114.6 Ų114.681%0.80568%0.682SS**  trans-75.5121.8-175.729.5-34.5000112.4
413A36.1Very low49Very low105 Ų105115.5 Ų115.587%0.86868%0.684SS**  trans-92.394.6172.300000111.3P411P411-A413 PolarHBondContact O-N 3.32Å
414T35.4Very low46.3Very low141 Ų141112.9 Ų112.987%0.86569%0.688SS**  trans-81.9123.3164.426.20000111.1
415A33.4Very low43.7Very low91 Ų91113.4 Ų113.475%0.75270%0.7SS**  trans-87.9-170.5168.100000110
416P49.3Very low40.9Very low111 Ų111114.1 Ų114.172%0.72171%0.708SS**  cis-133.2-152.4-5.340.4-20000112.8
417C25.3Very low38.5Very low124 Ų124118 Ų11884%0.83873%0.727SS**  trans74.5152.4171.5-650000116.7
418A24.3Very low36.5Very low87 Ų87121.5 Ų121.572%0.71974%0.736SS**  cis-170178-21.600000109.5
419S28.3Very low35.2Very low102 Ų102120.2 Ų120.271%0.71374%0.741SS**  trans72.8112149.2-165.80000120.6
420L31.1Very low33.5Very low144 Ų144118.3 Ų118.375%0.75474%0.74SS**  trans42.4141.1130.8-67.5163.9000122.7
421D27.5Very low32.2Very low116 Ų116122.3 Ų122.362%0.6275%0.754SS**  trans66.9158.2146.8-77.5-54.5000116.9
422R28.6Very low31.1Very low188 Ų188122.9 Ų122.971%0.70976%0.755SS**  cis-173.7149.8-17.8173.4171.5-149.1119.6-3.4112.1
423D28.3Very low30.3Very low115 Ų115121.7 Ų121.762%0.61575%0.75SS**  trans43.3128.4157.3-59.8-27000122.2
424T28.1Very low29.9Very low129 Ų129121.3 Ų121.379%0.79174%0.741SS**  trans67.6136.4147.764.60000119
425T28.1Very low29.7Very low126 Ų126123.2 Ų123.277%0.77374%0.74SS**  -160.1154.85131.50000113.3
426S24.4Very low29.3Very low101 Ų101127.7 Ų127.771%0.70674%0.742SS**  trans26.9137.9131.6-158.80000119.3
427T26.7Very low28.2Very low130 Ų130128.3 Ų128.380%0.79874%0.744SS**  -163.2153.355.1-490000114.6
428L29.4Very low28.9Very low139 Ų139126.8 Ų126.873%0.72873%0.733SS**  trans-72.6-178.5171.9-91.7168.2000112.3
429P37.8Very low29.2Very low125 Ų125130.7 Ų130.781%0.81274%0.736SS**  cis-144.2173.328.442.6-21.8000120.3
430S28.7Very low29.1Very low97 Ų97132.3 Ų132.368%0.67874%0.742SS**  trans-108.1162.6176.3-21.60000112
431I27.2Very low29.3Very low155 Ų155129.8 Ų129.880%0.79574%0.742SS**  trans-160.4113155.128.1178.6000108.8
432T29.2Very low29.4Very low130 Ų130134.1 Ų134.180%0.79876%0.755SS**  68.1147.482.861.50000115
433S29.2Very low29.5Very low99 Ų99130.3 Ų130.369%0.69275%0.749SS**  cis-171.5155-3.7161.40000108.1
434S28.7Very low29.8Very low97 Ų97132.6 Ų132.668%0.67875%0.754SS**  169.1132.798.2-65.50000110.7
435Q30.7Very low30Very low182 Ų182134.2 Ų134.285%0.8575%0.752SS**  73.2138.691-129.818014.700113.9
436K24.7Very low30Very low184 Ų184135.8 Ų135.880%0.876%0.756SS**  cis-162164.333-170.8-179.3174.3-177.20113.3
437T26Very low30.1Very low124 Ų124134 Ų13476%0.76175%0.753SS**  trans-102.4-161.7178.550.80000112
438P40.1Very low30.2Very low92 Ų92134 Ų13460%0.59776%0.757SS**  cis-148.1-179.63.545.9-25.3000120.4
439E30.3Very low30.2Very low170 Ų170136.6 Ų136.679%0.79477%0.765SS**  trans61.4164.8144.2-77.7163.2-122.100122.5
440T27.2Very low29.7Very low136 Ų136134.1 Ų134.183%0.83476%0.763SS**  cis-143.4-168.810.5-16.30000113
441A34.8Very low29.7Very low91 Ų91135.1 Ų135.175%0.75277%0.765SS**  trans-134.1170.7-165.600000117.4
442K30.4Very low29.9Very low207 Ų207135.5 Ų135.590%0.976%0.763SS**  trans165.8165.6158.4-95.3179.7-179.6-179.10110.8
443D30.3Very low29.8Very low108 Ų108137.9 Ų137.958%0.57877%0.765SS**  cis-171.1142.9-29.4-174.432.4000110.4
444K34.6Very low29.7Very low163 Ų163139.4 Ų139.471%0.70977%0.774SS**  trans52.5174.8165-76.2170.9-163106.10122
445Q31.4Very low29.5Very low163 Ų163139.3 Ų139.376%0.76278%0.779SS**  cis167.5151.5-45.4-176.7178-11.100109.6
446D29.3Very low29.3Very low158 Ų158135.1 Ų135.185%0.84578%0.776SS**  trans101.6152.9150-140.9-1.4000119.9
447G26Very low29.4Very low64 Ų64135 Ų13566%0.6678%0.778SS**  trans129.596.2170.100000117.3
448C27.7Very low29.4Very low129 Ų129135.4 Ų135.487%0.87278%0.781SS**  trans-86.6177.9150.5-63.20000108.6
449E29.5Very low28.7Very low194 Ų194135.5 Ų135.591%0.90779%0.789SS**  cis-167.9166.129-171.3173.6-140.600108.3
450G27.6Very low28.6Very low73 Ų73131.6 Ų131.675%0.75379%0.786SS**  trans169.1137.1172.100000115.9
451T29.9Very low28.7Very low118 Ų118130.9 Ų130.972%0.72479%0.786SS**  trans-137.4135.5-161.8-62.20000113.2
452Q30.4Very low28.3Very low164 Ų164130.5 Ų130.577%0.76679%0.791SS**  trans44.2130.9158.9-64.8167.29.100120.3
453H27Very low28.1Very low180 Ų180124.3 Ų124.383%0.83379%0.787SS**  -170.9165.9103.9-112.8-90.8000112.2
454C27.3Very low28.3Very low130 Ų130130.9 Ų130.988%0.87880%0.803SS**  trans-109.3132.4-179.7-62.70000112.7
455A24.9Very low28.1Very low95 Ų95133.8 Ų133.879%0.78581%0.81SS**  trans-151.7122.4154.500000105.7
456A25.6Very low28.2Very low94 Ų94130.8 Ų130.878%0.77781%0.807SS**  93136.151.700000112.7
457E26.6Very low28.1Very low181 Ų181133 Ų13385%0.84681%0.812SS**  trans75.5102.1168.4-49.2-152.3133.100120.6
458T25.7Very low28.2Very low134 Ų134134.1 Ų134.182%0.82282%0.815SS**  53.2110.3113.8-46.70000120.5
459A27.1Very low28.6Very low93 Ų93134.8 Ų134.877%0.76981%0.809SS**  -171.8138.911500000115.2
460A27.6Very low28.6Very low88 Ų88136.1 Ų136.173%0.72781%0.806SS**  trans36.3136.1141.900000123.6
461S28.7Very low28.6Very low121 Ų121138.9 Ų138.985%0.84681%0.813SS**  trans57.3131.2152.554.10000118.9
462G26.2Very low28.8Very low83 Ų83138.6 Ų138.686%0.85682%0.817SS**  cis112.2110.511.800000110.7
463G26.8Very low28.8Very low78 Ų78134.6 Ų134.680%0.80482%0.819SS**  trans172.7127.9-178.900000112
464R35.6Very low28.9Very low246 Ų246129.7 Ų129.793%0.92882%0.817SS**  trans-82161.7158.4-45.2176.5-149.7-1331.9105.4
465R29.2Very low29.6Very low224 Ų224130.9 Ų130.985%0.84582%0.82SS**  cis-173.316637-151.7-178.5-173.9162.4-1.2108.3
466S33.6Very low30.1Very low100 Ų100138 Ų13870%0.69983%0.827SS**  trans31.8118.8152.1-60.20000120.2
467E27.6Very low30.8Very low205 Ų205137.2 Ų137.296%0.95883%0.827SS**  -132158.5122.3-76.7-147.3136.600109.6
468A28.2Very low31.2Very low87 Ų87137.6 Ų137.672%0.71983%0.829SS**  trans-131.9151.6173.400000108.2
469L35.3Very low31.7Very low143 Ų143138.7 Ų138.775%0.74983%0.829SS**  trans170.6138.3133.2-90.3159.4000111.7
470R29.7Very low32.3Very low221 Ų221137.9 Ų137.983%0.83482%0.818SS**  trans55.5110.9148.4-61.1170.3-172.9174.56.9119.1
471S28.1Very low33.2Very low131 Ų131137.8 Ų137.892%0.91681%0.808SS**  -118.6160.5120.2-169.80000108.9
472S33.8Very low34.3Very low113 Ų113137 Ų13779%0.7980%0.798SS**  trans-138.4144.3-163-174.20000113.1
473G30.2Very low35.1Very low79 Ų79134.2 Ų134.281%0.81477%0.77SS**  trans66.392.6151.500000117.8
474G28.7Very low36.3Very low77 Ų77134.4 Ų134.479%0.79476%0.755SS**  trans-156.785.4169.100000112.2R476G474-R476 PolarHBondContact O-N 3.43Å
475V42.9Very low37.3Very low155 Ų155126 Ų12694%0.93972%0.723SS**  trans-86.2104.7-178.31790000111.1
476R34.3Very low38.5Very low246 Ų246122.6 Ų122.693%0.92872%0.717SS**  trans-148.1143.2148.2-135.8176-172.1-155.2-0.5110.1G474G474-R476 PolarHBondContact O-N 3.43Å
477G41.2Very low39.3Very low76 Ų76127.3 Ų127.378%0.78472%0.719SS**  trans-83.6122.5-160.800000115.3
478Q34.5Very low40.7Very low189 Ų189119.5 Ų119.588%0.88368%0.684SS**  -133.2116.2127.4-80.6-170.9-4.200107.7S480Q478-S480 PolarHBondContact O-N 2.88Å
479L37.5Very low42.1Very low157 Ų157118 Ų11882%0.82266%0.664SS**  trans-77.8101.1169.4-81.7165.2000107.8V481L479-V481 PolarHBondContact O-N 2.86Å
480S38.6Very low43.1Very low76 Ų76118.8 Ų118.853%0.53166%0.661SS.*  trans-66.5106.5172.448.10000109.3Q478 T482 G483 V484Q478-S480 PolarHBondContact O-N 2.88Å; S480-T482 PolarHBondContact O-N 3.29Å; S480-T482 VanDerWaalsContact O-N 3.09Å; S480-G483 PolarHBondContact O-N 3Å; S480-V484 PolarHBondContact O-N 3.24Å
481V47.7Very low44.4Very low87 Ų87115.7 Ų115.753%0.52766%0.656SS.*Hα-helixtrans-52.4-34.7-178.6177.10000111.3L479 V484 R485L479-V481 PolarHBondContact O-N 2.86Å; V481-V484 PolarHBondContact O-N 2.9Å; V481-R485 VanDerWaalsContact O-CG 3.28Å; V481-R485 WeakPolarHBondContact O-CG 3.3Å; V481-R485 PolarHBondContact O-N 3.39Å
482T50.8Low45.6Very low104 Ų104110.3 Ų110.364%0.63862%0.617SS**Hα-helixtrans-58-44.1172.445.20000114S480 V484 R485 E486S480-T482 PolarHBondContact O-N 3.29Å; S480-T482 VanDerWaalsContact O-N 3.09Å; T482-V484 VanDerWaalsContact C-N 3.31Å; T482-V484 PolarHBondContact O-N 3.49Å; T482-R485 PolarHBondContact O-N 2.88Å; T482-E486 PolarHBondContact O-N 3.32Å; T482-E486 VanDerWaalsContact O-N 3.1Å
483G43.2Very low46.4Very low25 Ų25109.1 Ų109.126%0.25861%0.608SS.*Hα-helixtrans-72.2-22.3-177.600000114.2S480 R487S480-G483 PolarHBondContact O-N 3Å; G483-R487 WeakPolarHBondContact O-CG 3.37Å
484V52.8Low47.1Very low81 Ų81111 Ų11149%0.49160%0.599SS.*Hα-helixtrans-76.7-46.8170.2-177.50000110S480 V481 T482 E486 R487 L488S480-V484 PolarHBondContact O-N 3.24Å; V481-V484 PolarHBondContact O-N 2.9Å; T482-V484 VanDerWaalsContact C-N 3.31Å; T482-V484 PolarHBondContact O-N 3.49Å; V484-E486 PolarHBondContact O-N 3.23Å; V484-R487 PolarHBondContact O-N 3.24Å; V484-L488 WeakPolarHBondContact O-CB 3.4Å; V484-L488 PolarHBondContact O-N 3.04Å
485R56.4Low48Very low71 Ų71110.9 Ų110.927%0.26860%0.598SS.*Hα-helixtrans-55.2-46.7179.2-71.7177.7176-159.1-3.4112.8V481 T482 R487 L488 L489 L515V481-R485 VanDerWaalsContact O-CG 3.28Å; V481-R485 WeakPolarHBondContact O-CG 3.3Å; V481-R485 PolarHBondContact O-N 3.39Å; T482-R485 PolarHBondContact O-N 2.88Å; R485-R487 PolarHBondContact O-N 3.4Å; R485-L488 PolarHBondContact O-N 2.95Å; R485-L489 WeakPolarHBondContact O-CB 3.35Å; R485-L489 WeakPolarHBondContact O-CG 3.41Å; R485-L489 PolarHBondContact O-N 3.47Å; R485-L515 HydrophobicContact CG-CD1 3.49Å; R485-L515 VanDerWaalsContact CG-CD1 3.49Å; R485-L515 HydrophobicContact CG-CD2 4.11Å; R485-L515 HydrophobicContact CG-CG 4.47Å
486E54.4Low48.2Very low151 Ų151109.5 Ų109.571%0.70658%0.581SS**Hα-helixtrans-68.2-34.1-177.4-168.7175.3-151.400113T482 V484 K490T482-E486 PolarHBondContact O-N 3.32Å; T482-E486 VanDerWaalsContact O-N 3.1Å; V484-E486 PolarHBondContact O-N 3.23Å; E486-K490 PolarHBondContact O-N 3.42Å
487R50.8Low49.1Very low199 Ų199107 Ų10775%0.75158%0.58SS**Hα-helixtrans-69.9-44172.3-69.9-178.5-173.8178.74111.7G483 V484 R485 K490 Q491G483-R487 WeakPolarHBondContact O-CG 3.37Å; V484-R487 PolarHBondContact O-N 3.24Å; R485-R487 PolarHBondContact O-N 3.4Å; R487-K490 PolarHBondContact O-N 3.01Å; R487-Q491 PolarHBondContact O-N 2.92Å
488L56.5Low49.6Very low41 Ų41109.3 Ų109.322%0.21557%0.57CS.*Hα-helixtrans-60.5-52.6178.2-15678.5000110V484 R485 K490 Q491 L492 L515V484-L488 WeakPolarHBondContact O-CB 3.4Å; V484-L488 PolarHBondContact O-N 3.04Å; R485-L488 PolarHBondContact O-N 2.95Å; L488-K490 PolarHBondContact O-N 3.45Å; L488-K490 VanDerWaalsContact O-N 3.08Å; L488-Q491 CarbonylContact O-C 3.49Å; L488-Q491 WeakPolarHBondContact O-CA 3.46Å; L488-Q491 PolarHBondContact O-N 3.41Å; L488-L492 HydrophobicContact CB-CD1 4.47Å; L488-L492 HydrophobicContact CD2-CD1 4.08Å; L488-L492 HydrophobicContact CG-CD1 3.88Å; L488-L492 HydrophobicContact CG-CG 4.26Å; L488-L492 WeakPolarHBondContact O-CB 3.45Å; L488-L492 WeakPolarHBondContact O-CG 3.4Å; L488-L492 PolarHBondContact O-N 2.93Å; L488-L515 HydrophobicContact CD2-CD2 3.99Å
489L56.6Low50.4Low57 Ų57106.3 Ų106.330%0.29857%0.57SS.*Hα-helixtrans-53.6-32.7177.2-76.6168.8000113.6R485 L560R485-L489 WeakPolarHBondContact O-CB 3.35Å; R485-L489 WeakPolarHBondContact O-CG 3.41Å; R485-L489 PolarHBondContact O-N 3.47Å; L489-L560 HydrophobicContact CD2-CB 4.25Å; L489-L560 HydrophobicContact CD2-CD1 4.29Å
490K56.9Low51.5Low159 Ų159102.7 Ų102.769%0.69155%0.552SS**Hα-helixtrans-75.1-41.5175.8-163.3158-170.2163.50112.6E486 R487 L488 L492E486-K490 PolarHBondContact O-N 3.42Å; R487-K490 PolarHBondContact O-N 3.01Å; L488-K490 PolarHBondContact O-N 3.45Å; L488-K490 VanDerWaalsContact O-N 3.08Å; K490-L492 PolarHBondContact O-N 3.38Å
491Q56.3Low53.6Low155 Ų155101.3 Ų101.372%0.72454%0.542SS*.Hα-helixtrans-72.8-12.6175.8-161.4169.9-3.300113.3R487 L488R487-Q491 PolarHBondContact O-N 2.92Å; L488-Q491 CarbonylContact O-C 3.49Å; L488-Q491 WeakPolarHBondContact O-CA 3.46Å; L488-Q491 PolarHBondContact O-N 3.41Å
492L54Low55.3Low18 Ų18101 Ų1019%0.09454%0.537CS..THydrogen-bonded Turntrans-89.9-13.5179.5-74.1171.7000114.9L488 K490 L508 Q512 L560L488-L492 HydrophobicContact CB-CD1 4.47Å; L488-L492 HydrophobicContact CD2-CD1 4.08Å; L488-L492 HydrophobicContact CG-CD1 3.88Å; L488-L492 HydrophobicContact CG-CG 4.26Å; L488-L492 WeakPolarHBondContact O-CB 3.45Å; L488-L492 WeakPolarHBondContact O-CG 3.4Å; L488-L492 PolarHBondContact O-N 2.93Å; K490-L492 PolarHBondContact O-N 3.38Å; L492-L508 HydrophobicContact CD2-CD1 4Å; L492-Q512 HydrophobicContact CD1-CG 4.06Å; L492-Q512 HydrophobicContact CD2-CG 3.51Å; L492-Q512 HydrophobicContact CG-CG 4.46Å; L492-L560 HydrophobicContact CD1-CD1 3.94Å
493C49.8Very low57Low89 Ų89100.4 Ų100.460%0.60153%0.529SS*.THydrogen-bonded Turntrans-97.6-26.8178.5-71.80000113.1G495C493-G495 PolarHBondContact O-N 3.16Å
494D45.1Very low58.9Low117 Ų117103.7 Ų103.763%0.62654%0.538SS*.SBendtrans-8099.6176.5-69.7-31.1000109.5Q496D494-Q496 PolarHBondContact O-N 3.38Å
495G48.3Very low60.4Low75 Ų75102 Ų10277%0.77352%0.524SS*.  trans-71.268.4-179.200000113.5C493 E497C493-G495 PolarHBondContact O-N 3.16Å; G495-E497 PolarHBondContact O-N 3.28Å; G495-E497 VanDerWaalsContact O-N 3.14Å
496Q45.9Very low61.9Low127 Ų127101.3 Ų101.359%0.59353%0.525SS*.  trans-83.984.3-178-172.9163.3-29.400111.3D494 Q498D494-Q496 PolarHBondContact O-N 3.38Å; Q496-Q498 VanDerWaalsContact C-N 3.26Å; Q496-Q498 HydrophobicContact CG-CB 4.13Å; Q496-Q498 HydrophobicContact CG-CG 3.76Å; Q496-Q498 PolarHBondContact O-N 3.47Å
497E53.9Low63.5Low194 Ų19499.9 Ų99.991%0.90752%0.519SS*.  trans-65.276173.1-62.8179.5157.900111.8G495G495-E497 PolarHBondContact O-N 3.28Å; G495-E497 VanDerWaalsContact O-N 3.14Å
498Q52.2Low65.2Low123 Ų12393.5 Ų93.558%0.57550%0.499SS*.SBendtrans-12862.3-176.9-70.9-169.9-2.800113.8Q496 D500Q496-Q498 VanDerWaalsContact C-N 3.26Å; Q496-Q498 HydrophobicContact CG-CB 4.13Å; Q496-Q498 HydrophobicContact CG-CG 3.76Å; Q496-Q498 PolarHBondContact O-N 3.47Å; Q498-D500 VanDerWaalsContact C-N 3.28Å; Q498-D500 PolarHBondContact O-N 3.43Å
499S50.7Low66.8Low127 Ų12792.2 Ų92.289%0.88849%0.492SS*.  trans60.926.2162.457.20000116.7S501S499-S501 PolarHBondContact O-N 2.86Å
500D60.1Low68.4Low80 Ų8092.8 Ų92.843%0.42850%0.5SS..  trans-55.1134.5170.8-69.6-13.5000110.8Q498 E504 H505Q498-D500 VanDerWaalsContact C-N 3.28Å; Q498-D500 PolarHBondContact O-N 3.43Å; D500-E504 HydrophobicContact CB-CB 4.19Å; D500-H505 PolarHBondContact O-CE1 3.16Å; D500-H505 PolarHBondContact O-ND1 2.85Å
501S82.4Confident69.9Low47 Ų4787.3 Ų87.333%0.32948%0.482SS..  trans-67.8163.9178.3680000111.9S499 I503 E504 H505S499-S501 PolarHBondContact O-N 2.86Å; S501-I503 PolarHBondContact O-N 3.41Å; S501-I503 WeakPolarHBondContact OG-CG2 3.2Å; S501-E504 WeakPolarHBondContact CB-OE2 3.33Å; S501-E504 PolarHBondContact N-OE2 2.95Å; S501-E504 PolarHBondContact O-N 2.91Å; S501-E504 VanDerWaalsContact O-N 3.15Å; S501-E504 PolarHBondContact OG-N 2.96Å; S501-E504 PolarHBondContact OG-OE2 3.26Å; S501-H505 PolarHBondContact O-N 3.29Å; S501-H505 PolarHBondContact O-ND1 2.85Å
502L85.3Confident71.4Confident80 Ų8080.2 Ų80.242%0.41945%0.449SS..Hα-helixtrans-58.2-33.6174.717858.1000112.2H505 I506 L571 C574 I575L502-H505 PolarHBondContact O-N 3.01Å; L502-I506 HydrophobicContact CD1-CD1 4.39Å; L502-I506 HydrophobicContact CD1-CG1 4.49Å; L502-I506 HydrophobicContact CG-CD1 4.1Å; L502-I506 VanDerWaalsContact O-CG1 3.27Å; L502-I506 WeakPolarHBondContact O-CG1 3.13Å; L502-I506 PolarHBondContact O-N 2.8Å; L502-L571 HydrophobicContact CD1-CD1 3.73Å; L502-C574 HydrophobicContact CD1-CB 3.72Å; L502-I575 HydrophobicContact CD1-CD1 4.26Å; L502-I575 HydrophobicContact CD1-CG1 3.92Å; L502-I575 HydrophobicContact CD2-CG1 4.33Å
503I84.7Confident73.1Confident93 Ų9381.3 Ų81.348%0.47745%0.454SS..Hα-helixtrans-72.4-34.2178.8-17560.8000112S501 I506 Q507S501-I503 PolarHBondContact O-N 3.41Å; S501-I503 WeakPolarHBondContact OG-CG2 3.2Å; I503-I506 PolarHBondContact O-N 2.88Å; I503-Q507 HydrophobicContact CD1-CG 4.46Å; I503-Q507 WeakPolarHBondContact O-CB 3.36Å; I503-Q507 VanDerWaalsContact O-CG 3.29Å; I503-Q507 WeakPolarHBondContact O-CG 3.19Å; I503-Q507 PolarHBondContact O-N 3.06Å
504E84.9Confident75.1Confident94 Ų9482.7 Ų82.744%0.43945%0.452SS..Hα-helixtrans-66.9-40.8172.3-75.7153.2143.200111.3D500 S501 I506 Q507 L508D500-E504 HydrophobicContact CB-CB 4.19Å; S501-E504 WeakPolarHBondContact CB-OE2 3.33Å; S501-E504 PolarHBondContact N-OE2 2.95Å; S501-E504 PolarHBondContact O-N 2.91Å; S501-E504 VanDerWaalsContact O-N 3.15Å; S501-E504 PolarHBondContact OG-N 2.96Å; S501-E504 PolarHBondContact OG-OE2 3.26Å; E504-I506 PolarHBondContact O-N 3.28Å; E504-Q507 PolarHBondContact O-N 3.15Å; E504-L508 WeakPolarHBondContact O-CB 3.44Å; E504-L508 PolarHBondContact O-N 3.44Å
505H83.2Confident77.3Confident44 Ų4477.8 Ų77.820%0.20443%0.425CS..Hα-helixtrans-60.3-41.4171.8-73.790.4000113.1D500 S501 L502 F509 H570 L571D500-H505 PolarHBondContact O-CE1 3.16Å; D500-H505 PolarHBondContact O-ND1 2.85Å; S501-H505 PolarHBondContact O-N 3.29Å; S501-H505 PolarHBondContact O-ND1 2.85Å; L502-H505 PolarHBondContact O-N 3.01Å; H505-F509 VanDerWaalsContact O-CB 3.3Å; H505-F509 WeakPolarHBondContact O-CB 3.47Å; H505-F509 PolarHBondContact O-N 3.43Å; H505-H570 AromaticContact CD2-CE1 3.59Å; H505-H570 AromaticContact CD2-ND1 3.28Å; H505-H570 PolarHBondContact CD2-ND1 3.16Å; H505-H570 VanDerWaalsContact CD2-ND1 3.28Å; H505-H570 AromaticContact CE1-CE1 3.95Å; H505-H570 AromaticContact NE2-CE1 3.16Å; H505-H570 PolarHBondContact NE2-CE1 2.58Å; H505-H570 AromaticContact NE2-ND1 3.38Å; H505-H570 PolarHBondContact NE2-ND1 3.16Å; H505-L571 HydrophobicContact CB-CD1 4.39Å
506I87.4Confident79.3Confident57 Ų5774.2 Ų74.229%0.29239%0.388SS..Hα-helixtrans-63.6-48.9174.8-69.5164000110.6L502 I503 E504 L508 F509 C510 L571 I575L502-I506 HydrophobicContact CD1-CD1 4.39Å; L502-I506 HydrophobicContact CD1-CG1 4.49Å; L502-I506 HydrophobicContact CG-CD1 4.1Å; L502-I506 VanDerWaalsContact O-CG1 3.27Å; L502-I506 WeakPolarHBondContact O-CG1 3.13Å; L502-I506 PolarHBondContact O-N 2.8Å; I503-I506 PolarHBondContact O-N 2.88Å; E504-I506 PolarHBondContact O-N 3.28Å; I506-L508 PolarHBondContact O-N 2.88Å; I506-F509 PolarHBondContact O-N 3.43Å; I506-C510 WeakPolarHBondContact O-CB 3.26Å; I506-C510 PolarHBondContact O-N 2.82Å; I506-C510 PolarHBondContact O-SG 3.23Å; I506-L571 HydrophobicContact CG1-CD1 3.58Å; I506-L571 HydrophobicContact CG1-CD2 4.32Å; I506-I575 HydrophobicContact CD1-CD1 4.38Å
507Q88.6Confident81.4Confident121 Ų12171.8 Ų71.857%0.56538%0.379SS*.Hα-helixtrans-62.8-43.2-179.7-73.2176.113.300111.7I503 E504 C510 S511I503-Q507 HydrophobicContact CD1-CG 4.46Å; I503-Q507 WeakPolarHBondContact O-CB 3.36Å; I503-Q507 VanDerWaalsContact O-CG 3.29Å; I503-Q507 WeakPolarHBondContact O-CG 3.19Å; I503-Q507 PolarHBondContact O-N 3.06Å; E504-Q507 PolarHBondContact O-N 3.15Å; Q507-C510 PolarHBondContact O-N 3.29Å; Q507-S511 WeakPolarHBondContact O-CB 3.49Å; Q507-S511 PolarHBondContact O-N 2.91Å; Q507-S511 PolarHBondContact O-OG 2.8Å
508L87.3Confident83.1Confident65 Ų6566.1 Ų66.134%0.3435%0.353SS..Hα-helixtrans-60.1-52.6176.1-177.463.1000110.5L492 E504 I506 C510 S511 Q512L492-L508 HydrophobicContact CD2-CD1 4Å; E504-L508 WeakPolarHBondContact O-CB 3.44Å; E504-L508 PolarHBondContact O-N 3.44Å; I506-L508 PolarHBondContact O-N 2.88Å; L508-C510 PolarHBondContact O-N 3.3Å; L508-S511 PolarHBondContact O-N 3.3Å; L508-S511 PolarHBondContact O-OG 3.4Å; L508-Q512 VanDerWaalsContact O-CG 3.32Å; L508-Q512 WeakPolarHBondContact O-CG 3.31Å; L508-Q512 PolarHBondContact O-N 2.92Å
509F89.6Confident84.8Confident15 Ų1561.4 Ų61.47%0.06633%0.331CS..Hα-helixtrans-55.6-48.5176.3173-106.5000112.4H505 I506 S511 Q512 L513 V564 A567 L571 L582 L586H505-F509 VanDerWaalsContact O-CB 3.3Å; H505-F509 WeakPolarHBondContact O-CB 3.47Å; H505-F509 PolarHBondContact O-N 3.43Å; I506-F509 PolarHBondContact O-N 3.43Å; F509-S511 VanDerWaalsContact C-N 3.34Å; F509-S511 PolarHBondContact O-N 3.41Å; F509-Q512 PolarHBondContact O-N 2.97Å; F509-L513 HydrophobicContact CE1-CD2 3.99Å; F509-L513 HydrophobicContact CZ-CD2 3.99Å; F509-L513 VanDerWaalsContact O-CB 3.29Å; F509-L513 WeakPolarHBondContact O-CB 3.29Å; F509-L513 PolarHBondContact O-N 3.49Å; F509-V564 HydrophobicContact CE2-CG1 3.91Å; F509-A567 HydrophobicContact CD2-CB 4.25Å; F509-L571 HydrophobicContact CB-CD2 4.11Å; F509-L571 HydrophobicContact CD1-CD2 3.72Å; F509-L571 HydrophobicContact CE1-CD2 4.38Å; F509-L571 HydrophobicContact CG-CD2 3.96Å; F509-L582 HydrophobicContact CE1-CD1 3.83Å; F509-L582 HydrophobicContact CZ-CD1 3.66Å; F509-L586 HydrophobicContact CE2-CD2 3.98Å; F509-L586 HydrophobicContact CZ-CD2 4.27Å
510C89.1Confident86.6Confident68 Ų6857 Ų5746%0.45930%0.296SS..Hα-helixtrans-60.4-41177.9-71.50000112.4I506 Q507 L508 L513 E514I506-C510 WeakPolarHBondContact O-CB 3.26Å; I506-C510 PolarHBondContact O-N 2.82Å; I506-C510 PolarHBondContact O-SG 3.23Å; Q507-C510 PolarHBondContact O-N 3.29Å; L508-C510 PolarHBondContact O-N 3.3Å; C510-L513 PolarHBondContact O-N 3.3Å; C510-E514 WeakPolarHBondContact O-CB 3.43Å; C510-E514 PolarHBondContact O-N 3.47Å
511S88.8Confident87.9Confident45 Ų4560.7 Ų60.732%0.31531%0.306SS..Hα-helixtrans-68.2-36.9178.374.50000113.3Q507 L508 F509 L515Q507-S511 WeakPolarHBondContact O-CB 3.49Å; Q507-S511 PolarHBondContact O-N 2.91Å; Q507-S511 PolarHBondContact O-OG 2.8Å; L508-S511 PolarHBondContact O-N 3.3Å; L508-S511 PolarHBondContact O-OG 3.4Å; F509-S511 VanDerWaalsContact C-N 3.34Å; F509-S511 PolarHBondContact O-N 3.41Å; S511-L515 WeakPolarHBondContact O-CB 3.27Å; S511-L515 PolarHBondContact O-N 2.9Å
512Q88.1Confident88.2Confident6 Ų659.3 Ų59.33%0.02830%0.299CS..Hα-helixtrans-66.8-43.7172.8-64.7170.71700111L492 L508 F509 L515 L516 C563 V564 A567L492-Q512 HydrophobicContact CD1-CG 4.06Å; L492-Q512 HydrophobicContact CD2-CG 3.51Å; L492-Q512 HydrophobicContact CG-CG 4.46Å; L508-Q512 VanDerWaalsContact O-CG 3.32Å; L508-Q512 WeakPolarHBondContact O-CG 3.31Å; L508-Q512 PolarHBondContact O-N 2.92Å; F509-Q512 PolarHBondContact O-N 2.97Å; Q512-L515 PolarHBondContact O-N 3.44Å; Q512-L516 WeakPolarHBondContact O-CB 3.15Å; Q512-L516 PolarHBondContact O-N 3.36Å; Q512-C563 VanDerWaalsContact OE1-C 3.3Å; Q512-C563 PolarHBondContact OE1-O 3.12Å; Q512-V564 HydrophobicContact CB-CG2 3.59Å; Q512-A567 VanDerWaalsContact OE1-CB 3.25Å
513L90.4Very high88.3Confident41 Ų4155.6 Ų55.622%0.21528%0.28CS..Hα-helixtrans-66.8-42.3-178.3178.160.7000111.9F509 C510 L515 L516 I517 V564 I589F509-L513 HydrophobicContact CE1-CD2 3.99Å; F509-L513 HydrophobicContact CZ-CD2 3.99Å; F509-L513 VanDerWaalsContact O-CB 3.29Å; F509-L513 WeakPolarHBondContact O-CB 3.29Å; F509-L513 PolarHBondContact O-N 3.49Å; C510-L513 PolarHBondContact O-N 3.3Å; L513-L515 VanDerWaalsContact C-N 3.32Å; L513-L515 PolarHBondContact O-N 2.55Å; L513-L516 WeakPolarHBondContact O-CB 3.18Å; L513-L516 PolarHBondContact O-N 2.94Å; L513-I517 HydrophobicContact CD1-CD1 4.09Å; L513-I517 HydrophobicContact CD1-CG1 4.34Å; L513-I517 HydrophobicContact CG-CD1 4Å; L513-I517 VanDerWaalsContact O-CG1 3.28Å; L513-I517 WeakPolarHBondContact O-CG1 3.47Å; L513-I517 PolarHBondContact O-N 3.26Å; L513-V564 HydrophobicContact CD1-CG1 4.22Å; L513-I589 HydrophobicContact CD1-CD1 3.58Å
514E91.3Very high88.4Confident118 Ų11853.6 Ų53.655%0.55127%0.274SS*.Hα-helixtrans-59.8-45.3173.4-166.1-162.9148.100110.7C510 L516 I517 Q518C510-E514 WeakPolarHBondContact O-CB 3.43Å; C510-E514 PolarHBondContact O-N 3.47Å; E514-L516 VanDerWaalsContact C-N 3.33Å; E514-L516 PolarHBondContact O-N 2.94Å; E514-I517 PolarHBondContact O-N 3.03Å; E514-Q518 WeakPolarHBondContact O-CG 3.25Å; E514-Q518 PolarHBondContact O-N 3.39Å; E514-Q518 PolarHBondContact OE1-NE2 3.41Å
515L90.5Very high88.5Confident13 Ų1354.3 Ų54.37%0.06828%0.277CS..Hα-helixtrans-62.8-39.5176.917955.5000112.4R485 L488 S511 Q512 L513 Q518 Q519 L560R485-L515 HydrophobicContact CG-CD1 3.49Å; R485-L515 VanDerWaalsContact CG-CD1 3.49Å; R485-L515 HydrophobicContact CG-CD2 4.11Å; R485-L515 HydrophobicContact CG-CG 4.47Å; L488-L515 HydrophobicContact CD2-CD2 3.99Å; S511-L515 WeakPolarHBondContact O-CB 3.27Å; S511-L515 PolarHBondContact O-N 2.9Å; Q512-L515 PolarHBondContact O-N 3.44Å; L513-L515 VanDerWaalsContact C-N 3.32Å; L513-L515 PolarHBondContact O-N 2.55Å; L515-Q518 PolarHBondContact O-N 3.44Å; L515-Q519 HydrophobicContact CD1-CG 4.49Å; L515-Q519 PolarHBondContact O-N 3.4Å; L515-L560 HydrophobicContact CB-CD2 4.14Å; L515-L560 HydrophobicContact CD2-CD1 4.25Å; L515-L560 HydrophobicContact CD2-CD2 3.97Å; L515-L560 HydrophobicContact CG-CD2 3.6Å
516L91.1Very high88.5Confident0 Ų052.4 Ų52.40%027%0.269CS..Hα-helixtrans-61.6-48.5176.2-167.185.3000110.7Q512 L513 E514 Q518 Q519 L520 H557 L560 V564 I589Q512-L516 WeakPolarHBondContact O-CB 3.15Å; Q512-L516 PolarHBondContact O-N 3.36Å; L513-L516 WeakPolarHBondContact O-CB 3.18Å; L513-L516 PolarHBondContact O-N 2.94Å; E514-L516 VanDerWaalsContact C-N 3.33Å; E514-L516 PolarHBondContact O-N 2.94Å; L516-Q518 VanDerWaalsContact C-N 3.32Å; L516-Q518 PolarHBondContact O-N 3.43Å; L516-Q519 PolarHBondContact O-N 3.33Å; L516-L520 HydrophobicContact CD2-CD1 4.38Å; L516-L520 HydrophobicContact CG-CD1 4.31Å; L516-L520 WeakPolarHBondContact O-CG 3.45Å; L516-L520 PolarHBondContact O-N 3.37Å; L516-H557 WeakPolarHBondContact CD1-NE2 3.39Å; L516-L560 HydrophobicContact CB-CD2 4.1Å; L516-L560 HydrophobicContact CB-CG 4.46Å; L516-L560 HydrophobicContact CD1-CB 4.19Å; L516-L560 HydrophobicContact CD1-CD2 3.95Å; L516-L560 HydrophobicContact CD1-CG 3.79Å; L516-V564 HydrophobicContact CB-CG2 4.05Å; L516-V564 HydrophobicContact CD1-CG2 4.25Å; L516-V564 HydrophobicContact CD2-CB 4.28Å; L516-V564 HydrophobicContact CD2-CG1 4.18Å; L516-V564 HydrophobicContact CD2-CG2 4.13Å; L516-V564 HydrophobicContact CG-CG2 4.39Å; L516-I589 HydrophobicContact CD2-CD1 4.29Å; L516-I589 HydrophobicContact CD2-CG1 4.36Å; L516-I589 HydrophobicContact CD2-CG2 3.59Å
517I89.9Confident88.2Confident77 Ų7752.7 Ų52.740%0.39527%0.27SS..Hα-helixtrans-58.7-44.2176.4-68.8164.1000110.6L513 E514 Q519 L520 Y521L513-I517 HydrophobicContact CD1-CD1 4.09Å; L513-I517 HydrophobicContact CD1-CG1 4.34Å; L513-I517 HydrophobicContact CG-CD1 4Å; L513-I517 VanDerWaalsContact O-CG1 3.28Å; L513-I517 WeakPolarHBondContact O-CG1 3.47Å; L513-I517 PolarHBondContact O-N 3.26Å; E514-I517 PolarHBondContact O-N 3.03Å; I517-Q519 VanDerWaalsContact C-N 3.3Å; I517-Q519 PolarHBondContact O-N 2.98Å; I517-L520 PolarHBondContact O-N 3.25Å; I517-Y521 HydrophobicContact CG2-CD2 3.82Å; I517-Y521 HydrophobicContact CG2-CE2 3.53Å; I517-Y521 WeakPolarHBondContact O-CD2 3.37Å; I517-Y521 PolarHBondContact O-N 3.49Å
518Q88.8Confident87.9Confident75 Ų7554.8 Ų54.835%0.3528%0.28SS..Hα-helixtrans-63.5-31.5175.7-68.6176.717.700113.3E514 L515 L516 G522E514-Q518 WeakPolarHBondContact O-CG 3.25Å; E514-Q518 PolarHBondContact O-N 3.39Å; E514-Q518 PolarHBondContact OE1-NE2 3.41Å; L515-Q518 PolarHBondContact O-N 3.44Å; L516-Q518 VanDerWaalsContact C-N 3.32Å; L516-Q518 PolarHBondContact O-N 3.43Å; Q518-G522 PolarHBondContact O-N 3.22Å
519Q88.6Confident87.5Confident24 Ų2459.1 Ų59.111%0.11229%0.292CS..Hα-helixtrans-79-37.3174.1-74.2-162.5-76.300112.6L515 L516 I517 Y521 G522 L523L515-Q519 HydrophobicContact CD1-CG 4.49Å; L515-Q519 PolarHBondContact O-N 3.4Å; L516-Q519 PolarHBondContact O-N 3.33Å; I517-Q519 VanDerWaalsContact C-N 3.3Å; I517-Q519 PolarHBondContact O-N 2.98Å; Q519-Y521 VanDerWaalsContact C-N 3.3Å; Q519-Y521 PolarHBondContact O-N 3Å; Q519-G522 WeakPolarHBondContact O-CA 3.35Å; Q519-G522 PolarHBondContact O-N 3.32Å; Q519-L523 PolarHBondContact O-N 3.38Å
520L87.8Confident86.9Confident33 Ų3359.1 Ų59.117%0.17329%0.292CS..Hα-helixtrans-59.8-39.1174.1-75.3171000111.9L516 I517 G522 L523 S524 H557L516-L520 HydrophobicContact CD2-CD1 4.38Å; L516-L520 HydrophobicContact CG-CD1 4.31Å; L516-L520 WeakPolarHBondContact O-CG 3.45Å; L516-L520 PolarHBondContact O-N 3.37Å; I517-L520 PolarHBondContact O-N 3.25Å; L520-G522 VanDerWaalsContact C-N 3.34Å; L520-L523 PolarHBondContact O-N 3.05Å; L520-S524 PolarHBondContact O-N 2.99Å; L520-S524 PolarHBondContact O-OG 3.04Å; L520-H557 VanDerWaalsContact CD2-CE1 3.42Å; L520-H557 WeakPolarHBondContact CD2-CE1 3.46Å
521Y88.5Confident85.9Confident158 Ų15859.3 Ų59.362%0.6230%0.298SS*.Hα-helixtrans-68-30.2172.6-77.6-60000113.7I517 Q519 S524 Q525I517-Y521 HydrophobicContact CG2-CD2 3.82Å; I517-Y521 HydrophobicContact CG2-CE2 3.53Å; I517-Y521 WeakPolarHBondContact O-CD2 3.37Å; I517-Y521 PolarHBondContact O-N 3.49Å; Q519-Y521 VanDerWaalsContact C-N 3.3Å; Q519-Y521 PolarHBondContact O-N 3Å; Y521-S524 WeakPolarHBondContact CA-OG 3.37Å; Y521-S524 PolarHBondContact O-OG 3.49Å; Y521-Q525 WeakPolarHBondContact O-CG 3.29Å; Y521-Q525 PolarHBondContact O-N 3.35Å
522G88.1Confident85.1Confident19 Ų1960.9 Ų60.920%0.19631%0.314CS..Hα-helixtrans-65.5-48.817000000111.2Q518 Q519 L520 S524 Q525 S526Q518-G522 PolarHBondContact O-N 3.22Å; Q519-G522 WeakPolarHBondContact O-CA 3.35Å; Q519-G522 PolarHBondContact O-N 3.32Å; L520-G522 VanDerWaalsContact C-N 3.34Å; G522-S524 PolarHBondContact O-N 3.35Å; G522-Q525 WeakPolarHBondContact O-CB 3.45Å; G522-Q525 PolarHBondContact O-N 2.97Å; G522-Q525 VanDerWaalsContact O-N 3.11Å; G522-S526 PolarHBondContact O-N 3.19Å; G522-S526 PolarHBondContact O-OG 2.87Å
523L87.6Confident84.3Confident2 Ų261.4 Ų61.41%0.0132%0.318CS..Hα-helixtrans-61.5-36.6177.5-79164.3000113.7Q519 L520 Q525 S526 M527 F550 E553 L554 H557 L596Q519-L523 PolarHBondContact O-N 3.38Å; L520-L523 PolarHBondContact O-N 3.05Å; L523-Q525 VanDerWaalsContact C-N 3.34Å; L523-S526 WeakPolarHBondContact CA-OG 3.2Å; L523-S526 PolarHBondContact O-N 3.44Å; L523-S526 PolarHBondContact O-OG 3.41Å; L523-M527 VanDerWaalsContact O-CB 3.23Å; L523-M527 WeakPolarHBondContact O-CB 3.29Å; L523-M527 PolarHBondContact O-N 3.02Å; L523-F550 HydrophobicContact CD2-CD2 4.03Å; L523-F550 HydrophobicContact CD2-CE2 3.87Å; L523-E553 HydrophobicContact CD2-CB 3.75Å; L523-E553 HydrophobicContact CD2-CG 3.61Å; L523-E553 HydrophobicContact CG-CG 3.98Å; L523-L554 HydrophobicContact CD2-CG 4.21Å; L523-H557 HydrophobicContact CD1-CB 3.65Å; L523-L596 HydrophobicContact CB-CD2 4.05Å; L523-L596 HydrophobicContact CD1-CD2 3.87Å; L523-L596 HydrophobicContact CD2-CD2 4.36Å; L523-L596 HydrophobicContact CG-CD2 4.33Å
524S87.2Confident83.4Confident51 Ų5163.2 Ų63.236%0.35734%0.339SS..Hα-helixtrans-67.5-35.8174.362.80000112L520 Y521 G522 E528L520-S524 PolarHBondContact O-N 2.99Å; L520-S524 PolarHBondContact O-OG 3.04Å; Y521-S524 WeakPolarHBondContact CA-OG 3.37Å; Y521-S524 PolarHBondContact O-OG 3.49Å; G522-S524 PolarHBondContact O-N 3.35Å; S524-E528 WeakPolarHBondContact O-CB 3.3Å; S524-E528 PolarHBondContact O-N 3.08Å
525Q86.5Confident82.5Confident108 Ų10859.5 Ų59.551%0.50533%0.332SS..Hα-helixtrans-74.8-29.8176.5-68.5175.219.800113.1Y521 G522 L523 R529Y521-Q525 WeakPolarHBondContact O-CG 3.29Å; Y521-Q525 PolarHBondContact O-N 3.35Å; G522-Q525 WeakPolarHBondContact O-CB 3.45Å; G522-Q525 PolarHBondContact O-N 2.97Å; G522-Q525 VanDerWaalsContact O-N 3.11Å; L523-Q525 VanDerWaalsContact C-N 3.34Å; Q525-R529 WeakPolarHBondContact O-CG 3.47Å; Q525-R529 VanDerWaalsContact O-CZ 3.24Å; Q525-R529 PolarHBondContact O-NE 3.32Å; Q525-R529 PolarHBondContact O-NH2 3.32Å
526S82.8Confident82.2Confident4 Ų464.1 Ų64.13%0.02836%0.357CS..Hα-helixtrans-76.2-37.8171.450.30000111.3G522 L523 E528 R529 I530 E553G522-S526 PolarHBondContact O-N 3.19Å; G522-S526 PolarHBondContact O-OG 2.87Å; L523-S526 WeakPolarHBondContact CA-OG 3.2Å; L523-S526 PolarHBondContact O-N 3.44Å; L523-S526 PolarHBondContact O-OG 3.41Å; S526-E528 PolarHBondContact O-N 3.32Å; S526-R529 PolarHBondContact O-N 3.1Å; S526-R529 VanDerWaalsContact O-N 3.16Å; S526-I530 WeakPolarHBondContact O-CG1 3.42Å; S526-E553 VanDerWaalsContact CB-OE2 3.26Å; S526-E553 WeakPolarHBondContact CB-OE2 3.3Å; S526-E553 PolarHBondContact OG-OE2 3.22Å
527M81.7Confident81.9Confident64 Ų6471.3 Ų71.332%0.31539%0.388SS..Hα-helixtrans-56.4-45.8170.5-172.7-176.476.700112.3L523 R529 I530 F550 L596 H599L523-M527 VanDerWaalsContact O-CB 3.23Å; L523-M527 WeakPolarHBondContact O-CB 3.29Å; L523-M527 PolarHBondContact O-N 3.02Å; M527-R529 PolarHBondContact O-N 2.97Å; M527-I530 PolarHBondContact O-N 2.91Å; M527-I530 VanDerWaalsContact O-N 3.09Å; M527-F550 HydrophobicContact CB-CE2 4.04Å; M527-F550 HydrophobicContact CB-CZ 4.38Å; M527-L596 HydrophobicContact SD-CD1 3.88Å; M527-H599 VanDerWaalsContact CG-CD2 3.49Å; M527-H599 WeakPolarHBondContact CG-CD2 3.19Å; M527-H599 WeakPolarHBondContact CG-NE2 3.4Å; M527-H599 VanDerWaalsContact SD-CD2 3.56Å
528E82Confident81.7Confident164 Ų16473 Ų7377%0.76640%0.402SS*.Hα-helixtrans-59.9-26.7178-174175.2-159.900113.5S524 S526S524-E528 WeakPolarHBondContact O-CB 3.3Å; S524-E528 PolarHBondContact O-N 3.08Å; S526-E528 PolarHBondContact O-N 3.32Å
529R78.8Confident81.6Confident157 Ų15770.9 Ų70.959%0.59240%0.395SS*.Hα-helixtrans-78.3-21.7177.5-67.3172.9-131133.94.1113.4Q525 S526 M527 A531Q525-R529 WeakPolarHBondContact O-CG 3.47Å; Q525-R529 VanDerWaalsContact O-CZ 3.24Å; Q525-R529 PolarHBondContact O-NE 3.32Å; Q525-R529 PolarHBondContact O-NH2 3.32Å; S526-R529 PolarHBondContact O-N 3.1Å; S526-R529 VanDerWaalsContact O-N 3.16Å; M527-R529 PolarHBondContact O-N 2.97Å; R529-A531 PolarHBondContact O-N 3.1Å
530I76.9Confident81.5Confident14 Ų1470 Ų707%0.07239%0.392CS..  trans-86.669.8-175.8-44.3156.8000109.4S526 M527 D546 F550 V603S526-I530 WeakPolarHBondContact O-CG1 3.42Å; M527-I530 PolarHBondContact O-N 2.91Å; M527-I530 VanDerWaalsContact O-N 3.09Å; I530-D546 HydrophobicContact CG1-CB 4.37Å; I530-F550 HydrophobicContact CD1-CB 3.49Å; I530-F550 VanDerWaalsContact CD1-CB 3.49Å; I530-F550 HydrophobicContact CD1-CD1 3.58Å; I530-F550 HydrophobicContact CD1-CD2 4.07Å; I530-F550 HydrophobicContact CD1-CE1 4.26Å; I530-F550 HydrophobicContact CD1-CG 3.46Å; I530-F550 VanDerWaalsContact CD1-CG 3.46Å; I530-V603 HydrophobicContact CG2-CG1 3.58Å
531A68.4Low81.5Confident72 Ų7275.5 Ų75.560%0.59541%0.414SS*.PPolyproline II helixtrans-61150172.300000111.2R529 S543R529-A531 PolarHBondContact O-N 3.1Å; A531-S543 PolarHBondContact O-OG 2.82Å
532A71.4Confident81.5Confident78 Ų7870.6 Ų70.665%0.64540%0.403SS*.PPolyproline II helixtrans-58.2132.7173.700000110.2A534A532-A534 PolarHBondContact O-N 3.44Å
533P72.5Confident81.5Confident18 Ų1870 Ų7012%0.11740%0.396CS..PPolyproline II helixtrans-65130.7-173.924.8-33.8000111.6G535 V540 I607 A610P533-G535 PolarHBondContact O-N 3.05Å; P533-V540 HydrophobicContact CB-CG2 3.77Å; P533-V540 HydrophobicContact CG-CG2 4.44Å; P533-I607 HydrophobicContact CG-CG1 4.27Å; P533-A610 HydrophobicContact CB-CB 4.32Å; P533-A610 HydrophobicContact CG-CB 3.66Å
534A70.6Confident81.5Confident78 Ų7872.2 Ų72.265%0.64541%0.408SS*.  trans-78.626.3-168.200000114.6A532 D536 S539A532-A534 PolarHBondContact O-N 3.44Å; A534-D536 PolarHBondContact O-N 3.18Å; A534-D536 VanDerWaalsContact O-N 3.14Å; A534-S539 PolarHBondContact N-OG 2.77Å
535G73Confident81.6Confident40 Ų4072.4 Ų72.441%0.41241%0.413SS..SBendtrans75.8-16.1-175.900000115.5P533 L614P533-G535 PolarHBondContact O-N 3.05Å; G535-L614 WeakPolarHBondContact O-CD1 3.5Å; G535-L614 WeakPolarHBondContact O-CD2 3.4Å; G535-L614 WeakPolarHBondContact O-CG 3.46Å
536D83.3Confident81.7Confident110 Ų11070.5 Ų70.559%0.58841%0.406SS*.  trans-77.3138.9176-75.1-42.8000112.9A534 V538 S539 V540A534-D536 PolarHBondContact O-N 3.18Å; A534-D536 VanDerWaalsContact O-N 3.14Å; D536-V538 PolarHBondContact O-N 3.19Å; D536-V538 VanDerWaalsContact O-N 3.16Å; D536-S539 WeakPolarHBondContact O-CA 3.28Å; D536-S539 WeakPolarHBondContact O-CB 3.48Å; D536-S539 PolarHBondContact O-N 3.33Å; D536-V540 WeakPolarHBondContact O-CG2 3.44Å; D536-V540 PolarHBondContact O-N 3.19Å
537F86Confident82.1Confident151 Ų15170.7 Ų70.766%0.66241%0.406SS*.Hα-helixtrans-54.5-35.4174.4177.2-101.7000113.3K541 L614F537-K541 WeakPolarHBondContact O-CB 3.19Å; F537-K541 PolarHBondContact O-N 3.02Å; F537-L614 HydrophobicContact CB-CD1 4.27Å
538V85.6Confident82.5Confident113 Ų11372.2 Ų72.269%0.68541%0.412SS*.Hα-helixtrans-71.4-39.8176.6-177.30000111.3D536 K541 S542D536-V538 PolarHBondContact O-N 3.19Å; D536-V538 VanDerWaalsContact O-N 3.16Å; V538-K541 PolarHBondContact O-N 2.87Å; V538-S542 PolarHBondContact O-N 3.46Å; V538-S542 PolarHBondContact O-OG 3.37Å
539S85.8Confident82.8Confident30 Ų3067.3 Ų67.321%0.2140%0.396CS..Hα-helixtrans-67.3-41.3176.8178.90000111.9A534 D536 K541 S542 S543A534-S539 PolarHBondContact N-OG 2.77Å; D536-S539 WeakPolarHBondContact O-CA 3.28Å; D536-S539 WeakPolarHBondContact O-CB 3.48Å; D536-S539 PolarHBondContact O-N 3.33Å; S539-K541 VanDerWaalsContact C-N 3.33Å; S539-K541 PolarHBondContact O-N 3.42Å; S539-S542 PolarHBondContact O-N 3.06Å; S539-S542 PolarHBondContact O-OG 2.87Å; S539-S543 WeakPolarHBondContact O-CB 3.28Å; S539-S543 PolarHBondContact O-N 3.41Å
540V87Confident83.3Confident7 Ų759.8 Ų59.84%0.04237%0.368CS..Hα-helixtrans-60.5-43.1171.9169.60000110.8P533 D536 L544 I607 A610 M611 L614P533-V540 HydrophobicContact CB-CG2 3.77Å; P533-V540 HydrophobicContact CG-CG2 4.44Å; D536-V540 WeakPolarHBondContact O-CG2 3.44Å; D536-V540 PolarHBondContact O-N 3.19Å; V540-L544 VanDerWaalsContact O-CB 3.31Å; V540-L544 WeakPolarHBondContact O-CB 3.48Å; V540-L544 PolarHBondContact O-N 2.98Å; V540-I607 HydrophobicContact CG1-CG2 4.49Å; V540-A610 HydrophobicContact CG2-CB 3.95Å; V540-M611 HydrophobicContact CG1-CG 3.4Å; V540-M611 VanDerWaalsContact CG1-CG 3.4Å; V540-M611 HydrophobicContact CG1-SD 4.26Å; V540-L614 HydrophobicContact CG2-CD1 3.96Å
541K88.3Confident83.9Confident147 Ų14763.4 Ų63.464%0.63938%0.384SS*.Hα-helixtrans-67.5-37.7178.4-173.7179.1176.8-175.60113.3F537 V538 S539 A545F537-K541 WeakPolarHBondContact O-CB 3.19Å; F537-K541 PolarHBondContact O-N 3.02Å; V538-K541 PolarHBondContact O-N 2.87Å; S539-K541 VanDerWaalsContact C-N 3.33Å; S539-K541 PolarHBondContact O-N 3.42Å; K541-A545 PolarHBondContact O-N 3.35Å
542S88.2Confident84.9Confident56 Ų5666.8 Ų66.839%0.39239%0.385SS..Hα-helixtrans-70.1-50174.160.90000111V538 S539 L544 A545 D546V538-S542 PolarHBondContact O-N 3.46Å; V538-S542 PolarHBondContact O-OG 3.37Å; S539-S542 PolarHBondContact O-N 3.06Å; S539-S542 PolarHBondContact O-OG 2.87Å; S542-L544 PolarHBondContact O-N 3.32Å; S542-A545 CarbonylContact O-C 3.58Å; S542-A545 WeakPolarHBondContact O-CA 3.32Å; S542-A545 WeakPolarHBondContact O-CB 3.49Å; S542-A545 PolarHBondContact O-N 3.38Å; S542-D546 PolarHBondContact O-N 3.07Å; S542-D546 VanDerWaalsContact O-OD2 3.04Å
543S87.3Confident85.7Confident6 Ų666 Ų664%0.04237%0.369CS..Hα-helixtrans-54.3-38.8177.7-173.30000112.3A531 S539 Y547A531-S543 PolarHBondContact O-OG 2.82Å; S539-S543 WeakPolarHBondContact O-CB 3.28Å; S539-S543 PolarHBondContact O-N 3.41Å; S543-Y547 WeakPolarHBondContact O-CB 3.17Å; S543-Y547 PolarHBondContact O-N 3.4Å
544L89.4Confident86.5Confident49 Ų4965.3 Ų65.326%0.25736%0.364SS..Hα-helixtrans-67.1-35.7173-17961000113.7V540 S542 Q548 I607V540-L544 VanDerWaalsContact O-CB 3.31Å; V540-L544 WeakPolarHBondContact O-CB 3.48Å; V540-L544 PolarHBondContact O-N 2.98Å; S542-L544 PolarHBondContact O-N 3.32Å; L544-Q548 WeakPolarHBondContact O-CB 3.34Å; L544-Q548 VanDerWaalsContact O-CG 3.27Å; L544-Q548 WeakPolarHBondContact O-CG 3.44Å; L544-Q548 PolarHBondContact O-N 2.82Å; L544-I607 HydrophobicContact CB-CG2 4.32Å; L544-I607 HydrophobicContact CD1-CG2 4.4Å
545A89.2Confident87.3Confident55 Ų5565.3 Ų65.346%0.45536%0.359SS..Hα-helixtrans-72.6-40.2175.800000111.8K541 S542 Q548 S549K541-A545 PolarHBondContact O-N 3.35Å; S542-A545 CarbonylContact O-C 3.58Å; S542-A545 WeakPolarHBondContact O-CA 3.32Å; S542-A545 WeakPolarHBondContact O-CB 3.49Å; S542-A545 PolarHBondContact O-N 3.38Å; A545-Q548 PolarHBondContact O-N 3.33Å; A545-S549 PolarHBondContact O-N 3.23Å
546D88.4Confident87.9Confident67 Ų6766 Ų6636%0.35836%0.357SS..Hα-helixtrans-63.5-45.9174.6-62.4-44.1000110.3I530 S542 Q548 S549 F550I530-D546 HydrophobicContact CG1-CB 4.37Å; S542-D546 PolarHBondContact O-N 3.07Å; S542-D546 VanDerWaalsContact O-OD2 3.04Å; D546-Q548 PolarHBondContact O-N 3.44Å; D546-S549 WeakPolarHBondContact O-CA 3.45Å; D546-S549 WeakPolarHBondContact O-CB 3.49Å; D546-S549 PolarHBondContact O-N 2.98Å; D546-S549 PolarHBondContact O-OG 3.35Å; D546-F550 PolarHBondContact O-N 3.11Å
547Y90Very high88.1Confident9 Ų960.7 Ų60.74%0.03533%0.329CS..Hα-helixtrans-55.3-45.7171176.1-96.8000112.6S543 S549 F550 Q551 S600 V603 F604 I607S543-Y547 WeakPolarHBondContact O-CB 3.17Å; S543-Y547 PolarHBondContact O-N 3.4Å; Y547-S549 PolarHBondContact O-N 3.34Å; Y547-F550 PolarHBondContact O-N 2.94Å; Y547-Q551 WeakPolarHBondContact O-CB 3.32Å; Y547-Q551 PolarHBondContact O-N 3.01Å; Y547-S600 WeakPolarHBondContact CE2-O 3.36Å; Y547-S600 WeakPolarHBondContact CE2-OG 3.39Å; Y547-S600 PolarHBondContact OH-OG 3.09Å; Y547-V603 HydrophobicContact CD2-CB 4.49Å; Y547-V603 HydrophobicContact CD2-CG1 3.81Å; Y547-V603 HydrophobicContact CE2-CG1 4.49Å; Y547-F604 HydrophobicContact CD1-CD2 4.27Å; Y547-F604 HydrophobicContact CE1-CB 4.37Å; Y547-F604 AromaticContact CE1-CD2 3.67Å; Y547-F604 HydrophobicContact CE1-CD2 3.67Å; Y547-F604 HydrophobicContact CE1-CE2 4.41Å; Y547-F604 HydrophobicContact CE1-CG 4.33Å; Y547-F604 HydrophobicContact CE2-CB 3.94Å; Y547-F604 AromaticContact CZ-CD2 3.93Å; Y547-I607 HydrophobicContact CG-CD1 4.2Å
548Q90.1Very high88.2Confident95 Ų9557.5 Ų57.544%0.44432%0.316SS..Hα-helixtrans-65.1-23.1175.5-76.5176.23000113.6L544 A545 D546 K552L544-Q548 WeakPolarHBondContact O-CB 3.34Å; L544-Q548 VanDerWaalsContact O-CG 3.27Å; L544-Q548 WeakPolarHBondContact O-CG 3.44Å; L544-Q548 PolarHBondContact O-N 2.82Å; A545-Q548 PolarHBondContact O-N 3.33Å; D546-Q548 PolarHBondContact O-N 3.44Å; Q548-K552 VanDerWaalsContact O-CD 3.31Å; Q548-K552 WeakPolarHBondContact O-CD 3.43Å; Q548-K552 WeakPolarHBondContact O-CE 3.46Å; Q548-K552 WeakPolarHBondContact O-CG 3.42Å
549S88.4Confident88.3Confident61 Ų6154.8 Ų54.843%0.42730%0.301SS..Hα-helixtrans-77.2-45.8172.982.60000111A545 D546 Y547 K552 E553A545-S549 PolarHBondContact O-N 3.23Å; D546-S549 WeakPolarHBondContact O-CA 3.45Å; D546-S549 WeakPolarHBondContact O-CB 3.49Å; D546-S549 PolarHBondContact O-N 2.98Å; D546-S549 PolarHBondContact O-OG 3.35Å; Y547-S549 PolarHBondContact O-N 3.34Å; S549-K552 WeakPolarHBondContact O-CB 3.49Å; S549-K552 PolarHBondContact O-N 3.48Å; S549-E553 PolarHBondContact O-N 3.13Å; S549-E553 VanDerWaalsContact O-N 3.16Å
550F89.6Confident88.5Confident0 Ų053.4 Ų53.40%029%0.291CS..Hα-helixtrans-62.7-42.6176.8172.3-111.8000112.6L523 M527 I530 D546 Y547 K552 E553 L554 L596L523-F550 HydrophobicContact CD2-CD2 4.03Å; L523-F550 HydrophobicContact CD2-CE2 3.87Å; M527-F550 HydrophobicContact CB-CE2 4.04Å; M527-F550 HydrophobicContact CB-CZ 4.38Å; I530-F550 HydrophobicContact CD1-CB 3.49Å; I530-F550 VanDerWaalsContact CD1-CB 3.49Å; I530-F550 HydrophobicContact CD1-CD1 3.58Å; I530-F550 HydrophobicContact CD1-CD2 4.07Å; I530-F550 HydrophobicContact CD1-CE1 4.26Å; I530-F550 HydrophobicContact CD1-CG 3.46Å; I530-F550 VanDerWaalsContact CD1-CG 3.46Å; D546-F550 PolarHBondContact O-N 3.11Å; Y547-F550 PolarHBondContact O-N 2.94Å; F550-K552 PolarHBondContact O-N 2.87Å; F550-E553 WeakPolarHBondContact O-CB 3.42Å; F550-E553 PolarHBondContact O-N 3.08Å; F550-L554 HydrophobicContact CD1-CD1 4.11Å; F550-L554 HydrophobicContact CE1-CD1 3.52Å; F550-L554 HydrophobicContact CE1-CG 4.47Å; F550-L554 HydrophobicContact CE2-CD1 4.37Å; F550-L554 HydrophobicContact CZ-CD1 3.68Å; F550-L554 HydrophobicContact CZ-CG 4.27Å; F550-L554 WeakPolarHBondContact O-CB 3.2Å; F550-L554 PolarHBondContact O-N 2.99Å; F550-L596 HydrophobicContact CE2-CD1 4.15Å; F550-L596 HydrophobicContact CZ-CD1 3.8Å; F550-L596 HydrophobicContact CZ-CG 4.18Å
551Q90.3Very high88.7Confident89 Ų8953.2 Ų53.242%0.41629%0.29SS..Hα-helixtrans-61.4-31.2177.5-165.2179.321.300112.4Y547 S555Y547-Q551 WeakPolarHBondContact O-CB 3.32Å; Y547-Q551 PolarHBondContact O-N 3.01Å; Q551-S555 WeakPolarHBondContact O-CB 3.32Å; Q551-S555 PolarHBondContact O-N 2.73Å; Q551-S555 PolarHBondContact O-OG 2.82Å
552K89.6Confident88.7Confident143 Ų14348.6 Ų48.662%0.62228%0.276SS*.Hα-helixtrans-73-39.5172.7-68165.8-171.8164.90111.9Q548 S549 F550 S555 S556Q548-K552 VanDerWaalsContact O-CD 3.31Å; Q548-K552 WeakPolarHBondContact O-CD 3.43Å; Q548-K552 WeakPolarHBondContact O-CE 3.46Å; Q548-K552 WeakPolarHBondContact O-CG 3.42Å; S549-K552 WeakPolarHBondContact O-CB 3.49Å; S549-K552 PolarHBondContact O-N 3.48Å; F550-K552 PolarHBondContact O-N 2.87Å; K552-S555 PolarHBondContact O-N 2.87Å; K552-S556 PolarHBondContact O-N 2.81Å
553E88.3Confident88.8Confident63 Ų6346.3 Ų46.329%0.29426%0.26SS..Hα-helixtrans-63.8-46.1174.8-161.7174.3-159.500110.9L523 S526 S549 F550 S555 S556 H557L523-E553 HydrophobicContact CD2-CB 3.75Å; L523-E553 HydrophobicContact CD2-CG 3.61Å; L523-E553 HydrophobicContact CG-CG 3.98Å; S526-E553 VanDerWaalsContact CB-OE2 3.26Å; S526-E553 WeakPolarHBondContact CB-OE2 3.3Å; S526-E553 PolarHBondContact OG-OE2 3.22Å; S549-E553 PolarHBondContact O-N 3.13Å; S549-E553 VanDerWaalsContact O-N 3.16Å; F550-E553 WeakPolarHBondContact O-CB 3.42Å; F550-E553 PolarHBondContact O-N 3.08Å; E553-S555 VanDerWaalsContact C-N 3.34Å; E553-S555 PolarHBondContact O-N 3.14Å; E553-S556 WeakPolarHBondContact O-CB 3.33Å; E553-S556 PolarHBondContact O-N 2.89Å; E553-S556 PolarHBondContact O-OG 3.41Å; E553-H557 PolarHBondContact O-N 3.19Å; E553-H557 VanDerWaalsContact O-N 3.12Å
554L88.8Confident89Confident3 Ų346 Ų462%0.01626%0.258CS..Hα-helixtrans-55.1-47.2172.5-109.3170.4000111.7L523 F550 S556 H557 Q558 L596L523-L554 HydrophobicContact CD2-CG 4.21Å; F550-L554 HydrophobicContact CD1-CD1 4.11Å; F550-L554 HydrophobicContact CE1-CD1 3.52Å; F550-L554 HydrophobicContact CE1-CG 4.47Å; F550-L554 HydrophobicContact CE2-CD1 4.37Å; F550-L554 HydrophobicContact CZ-CD1 3.68Å; F550-L554 HydrophobicContact CZ-CG 4.27Å; F550-L554 WeakPolarHBondContact O-CB 3.2Å; F550-L554 PolarHBondContact O-N 2.99Å; L554-S556 VanDerWaalsContact C-N 3.26Å; L554-S556 PolarHBondContact O-N 3.02Å; L554-H557 PolarHBondContact O-N 3.26Å; L554-H557 VanDerWaalsContact O-N 3.12Å; L554-Q558 PolarHBondContact O-N 3.31Å; L554-Q558 VanDerWaalsContact O-N 3.14Å; L554-L596 HydrophobicContact CD2-CD2 3.75Å; L554-L596 HydrophobicContact CD2-CG 4.05Å; L554-L596 HydrophobicContact CG-CD2 4.22Å; L554-L596 HydrophobicContact CG-CG 4.43Å
555S87.8Confident89.1Confident78 Ų7845.1 Ų45.155%0.54525%0.253SS..Hα-helixtrans-62.3-31.9177.1-60.10000112.6Q551 K552 E553 P559Q551-S555 WeakPolarHBondContact O-CB 3.32Å; Q551-S555 PolarHBondContact O-N 2.73Å; Q551-S555 PolarHBondContact O-OG 2.82Å; K552-S555 PolarHBondContact O-N 2.87Å; E553-S555 VanDerWaalsContact C-N 3.34Å; E553-S555 PolarHBondContact O-N 3.14Å; S555-P559 VanDerWaalsContact O-CD 3.32Å; S555-P559 WeakPolarHBondContact O-CD 3.45Å
556S85.6Confident89.1Confident53 Ų5349 Ų4937%0.37126%0.256SS..Hα-helixtrans-75.8-23.8176.181.70000113.6K552 E553 L554 P559K552-S556 PolarHBondContact O-N 2.81Å; E553-S556 WeakPolarHBondContact O-CB 3.33Å; E553-S556 PolarHBondContact O-N 2.89Å; E553-S556 PolarHBondContact O-OG 3.41Å; L554-S556 VanDerWaalsContact C-N 3.26Å; L554-S556 PolarHBondContact O-N 3.02Å; S556-P559 WeakPolarHBondContact O-CG 3.5Å
557H86.4Confident89.1Confident0 Ų046.7 Ų46.70%025%0.246CC..Hα-helixtrans-87.6-32.3-177.2-179.7-102.8000113.5L516 L520 L523 E553 L554 L560 T561L516-H557 WeakPolarHBondContact CD1-NE2 3.39Å; L520-H557 VanDerWaalsContact CD2-CE1 3.42Å; L520-H557 WeakPolarHBondContact CD2-CE1 3.46Å; L523-H557 HydrophobicContact CD1-CB 3.65Å; E553-H557 PolarHBondContact O-N 3.19Å; E553-H557 VanDerWaalsContact O-N 3.12Å; L554-H557 PolarHBondContact O-N 3.26Å; L554-H557 VanDerWaalsContact O-N 3.12Å; H557-L560 PolarHBondContact O-N 3.49Å; H557-T561 PolarHBondContact CE1-OG1 3.25Å; H557-T561 PolarHBondContact ND1-OG1 3.48Å; H557-T561 PolarHBondContact O-N 3Å; H557-T561 PolarHBondContact O-OG1 2.72Å
558Q88.3Confident89Confident84 Ų8446.2 Ų46.239%0.39325%0.245SC..Hα-helixtrans-47-52.4174.7-83.1-69.2-8.800114.8L554 L560 T561 S562L554-Q558 PolarHBondContact O-N 3.31Å; L554-Q558 VanDerWaalsContact O-N 3.14Å; Q558-L560 PolarHBondContact O-N 3.28Å; Q558-T561 WeakPolarHBondContact O-CB 3.38Å; Q558-T561 PolarHBondContact O-N 2.92Å; Q558-S562 PolarHBondContact O-N 2.94Å
559P88.3Confident89Confident56 Ų5647.7 Ų47.736%0.36425%0.252SS..Hα-helixtrans-61.5-42179.922.9-33.7000112.4S555 S556 T561 S562 C563S555-P559 VanDerWaalsContact O-CD 3.32Å; S555-P559 WeakPolarHBondContact O-CD 3.45Å; S556-P559 WeakPolarHBondContact O-CG 3.5Å; P559-T561 PolarHBondContact O-N 3.45Å; P559-S562 WeakPolarHBondContact O-CB 3.49Å; P559-S562 PolarHBondContact O-N 3.4Å; P559-S562 PolarHBondContact O-OG 3.32Å; P559-C563 PolarHBondContact O-N 3.12Å; P559-C563 PolarHBondContact O-SG 2.9Å
560L89.2Confident88.8Confident0 Ų049.2 Ų49.20%025%0.252CS..Hα-helixtrans-64.5-40.7177.6-176.665.7000111.8L489 L492 L515 L516 H557 Q558 S562 C563 V564L489-L560 HydrophobicContact CD2-CB 4.25Å; L489-L560 HydrophobicContact CD2-CD1 4.29Å; L492-L560 HydrophobicContact CD1-CD1 3.94Å; L515-L560 HydrophobicContact CB-CD2 4.14Å; L515-L560 HydrophobicContact CD2-CD1 4.25Å; L515-L560 HydrophobicContact CD2-CD2 3.97Å; L515-L560 HydrophobicContact CG-CD2 3.6Å; L516-L560 HydrophobicContact CB-CD2 4.1Å; L516-L560 HydrophobicContact CB-CG 4.46Å; L516-L560 HydrophobicContact CD1-CB 4.19Å; L516-L560 HydrophobicContact CD1-CD2 3.95Å; L516-L560 HydrophobicContact CD1-CG 3.79Å; H557-L560 PolarHBondContact O-N 3.49Å; Q558-L560 PolarHBondContact O-N 3.28Å; L560-S562 VanDerWaalsContact C-N 3.29Å; L560-S562 PolarHBondContact O-N 3.21Å; L560-C563 PolarHBondContact O-N 2.98Å; L560-C563 VanDerWaalsContact O-N 3.1Å; L560-V564 PolarHBondContact O-N 3.39Å
561T90.8Very high88.8Confident4 Ų449.6 Ų49.63%0.02525%0.254CS..Hα-helixtrans-56.3-47.1174.1-47.80000110.3H557 Q558 P559 C563 V564 L565 I589 T593H557-T561 PolarHBondContact CE1-OG1 3.25Å; H557-T561 PolarHBondContact ND1-OG1 3.48Å; H557-T561 PolarHBondContact O-N 3Å; H557-T561 PolarHBondContact O-OG1 2.72Å; Q558-T561 WeakPolarHBondContact O-CB 3.38Å; Q558-T561 PolarHBondContact O-N 2.92Å; P559-T561 PolarHBondContact O-N 3.45Å; T561-C563 VanDerWaalsContact C-N 3.27Å; T561-C563 PolarHBondContact O-N 3Å; T561-V564 PolarHBondContact O-N 3.02Å; T561-L565 HydrophobicContact CG2-CD1 4.12Å; T561-L565 WeakPolarHBondContact O-CG 3.38Å; T561-L565 PolarHBondContact O-N 3.14Å; T561-I589 HydrophobicContact CG2-CG2 4.1Å; T561-T593 HydrophobicContact CG2-CG2 4.13Å
562S89.8Confident88.7Confident50 Ų5046.6 Ų46.635%0.3524%0.241SC..Hα-helixtrans-62.1-33.2177.886.60000113.1Q558 P559 L560 R566Q558-S562 PolarHBondContact O-N 2.94Å; P559-S562 WeakPolarHBondContact O-CB 3.49Å; P559-S562 PolarHBondContact O-N 3.4Å; P559-S562 PolarHBondContact O-OG 3.32Å; L560-S562 VanDerWaalsContact C-N 3.29Å; L560-S562 PolarHBondContact O-N 3.21Å; S562-R566 VanDerWaalsContact O-CB 3.28Å; S562-R566 WeakPolarHBondContact O-CB 3.37Å; S562-R566 PolarHBondContact O-N 3.38Å
563C88.4Confident88.5Confident8 Ų844.3 Ų44.35%0.05424%0.242CC..Hα-helixtrans-73.4-45.2176.8-66.20000111.8Q512 P559 L560 T561 L565 R566 A567Q512-C563 VanDerWaalsContact OE1-C 3.3Å; Q512-C563 PolarHBondContact OE1-O 3.12Å; P559-C563 PolarHBondContact O-N 3.12Å; P559-C563 PolarHBondContact O-SG 2.9Å; L560-C563 PolarHBondContact O-N 2.98Å; L560-C563 VanDerWaalsContact O-N 3.1Å; T561-C563 VanDerWaalsContact C-N 3.27Å; T561-C563 PolarHBondContact O-N 3Å; C563-L565 VanDerWaalsContact C-N 3.33Å; C563-L565 PolarHBondContact O-N 3.34Å; C563-R566 PolarHBondContact O-N 2.88Å; C563-A567 VanDerWaalsContact O-CB 3.32Å; C563-A567 WeakPolarHBondContact O-CB 3.48Å; C563-A567 PolarHBondContact O-N 3.39Å
564V91.6Very high88.1Confident0 Ų044.1 Ų44.10%025%0.247CC..Hα-helixtrans-59.2-44.61751730000111.1F509 Q512 L513 L516 L560 T561 G568 L586 I589F509-V564 HydrophobicContact CE2-CG1 3.91Å; Q512-V564 HydrophobicContact CB-CG2 3.59Å; L513-V564 HydrophobicContact CD1-CG1 4.22Å; L516-V564 HydrophobicContact CB-CG2 4.05Å; L516-V564 HydrophobicContact CD1-CG2 4.25Å; L516-V564 HydrophobicContact CD2-CB 4.28Å; L516-V564 HydrophobicContact CD2-CG1 4.18Å; L516-V564 HydrophobicContact CD2-CG2 4.13Å; L516-V564 HydrophobicContact CG-CG2 4.39Å; L560-V564 PolarHBondContact O-N 3.39Å; T561-V564 PolarHBondContact O-N 3.02Å; V564-G568 PolarHBondContact O-N 3.48Å; V564-L586 HydrophobicContact CG1-CD2 4.47Å; V564-I589 HydrophobicContact CG1-CD1 4.18Å
565L91.3Very high87.7Confident29 Ų2947.4 Ų47.415%0.15226%0.264CS..Hα-helixtrans-63.7-44.3177.3-68174.9000111.6T561 C563 Q569 L586 I589 E590T561-L565 HydrophobicContact CG2-CD1 4.12Å; T561-L565 WeakPolarHBondContact O-CG 3.38Å; T561-L565 PolarHBondContact O-N 3.14Å; C563-L565 VanDerWaalsContact C-N 3.33Å; C563-L565 PolarHBondContact O-N 3.34Å; L565-Q569 WeakPolarHBondContact O-CB 3.34Å; L565-Q569 WeakPolarHBondContact O-CG 3.2Å; L565-Q569 PolarHBondContact O-N 3.09Å; L565-L586 HydrophobicContact CD2-CB 4.08Å; L565-L586 HydrophobicContact CD2-CD2 4.05Å; L565-L586 WeakPolarHBondContact CD2-O 3.34Å; L565-I589 HydrophobicContact CD2-CG2 4.34Å; L565-E590 HydrophobicContact CD1-CB 4.41Å; L565-E590 HydrophobicContact CD2-CB 4.49Å
566R90.4Very high86.7Confident136 Ų13649.9 Ų49.951%0.51327%0.271SS..Hα-helixtrans-64.6-45.8177.2-169.4-173.7-53.7117.213.8112.5S562 C563 Q569 H570S562-R566 VanDerWaalsContact O-CB 3.28Å; S562-R566 WeakPolarHBondContact O-CB 3.37Å; S562-R566 PolarHBondContact O-N 3.38Å; C563-R566 PolarHBondContact O-N 2.88Å; R566-Q569 PolarHBondContact O-N 3.19Å; R566-H570 WeakPolarHBondContact O-CB 3.44Å; R566-H570 PolarHBondContact O-N 3.45Å
567A87.9Confident85.7Confident19 Ų1950.3 Ų50.316%0.15727%0.274CS..Hα-helixtrans-67-39.6178.900000111.6F509 Q512 C563 H570 L571F509-A567 HydrophobicContact CD2-CB 4.25Å; Q512-A567 VanDerWaalsContact OE1-CB 3.25Å; C563-A567 VanDerWaalsContact O-CB 3.32Å; C563-A567 WeakPolarHBondContact O-CB 3.48Å; C563-A567 PolarHBondContact O-N 3.39Å; A567-H570 PolarHBondContact O-N 2.89Å; A567-L571 VanDerWaalsContact O-CB 3.25Å; A567-L571 WeakPolarHBondContact O-CB 3.47Å; A567-L571 PolarHBondContact O-N 3.3Å
568G89.1Confident84.3Confident0 Ų055.9 Ų55.90%031%0.309CS..Hα-helixtrans-64.1-42.6173.600000112.8V564 L571 L572V564-G568 PolarHBondContact O-N 3.48Å; G568-L571 PolarHBondContact O-N 2.97Å; G568-L572 WeakPolarHBondContact O-CB 3.12Å; G568-L572 PolarHBondContact O-N 3.46Å
569Q88.3Confident83.7Confident126 Ų12653.6 Ų53.659%0.58930%0.302SS*.Hα-helixtrans-63.1-41.6173.5-74.4168.97.900112.1L565 R566 L572 S573L565-Q569 WeakPolarHBondContact O-CB 3.34Å; L565-Q569 WeakPolarHBondContact O-CG 3.2Å; L565-Q569 PolarHBondContact O-N 3.09Å; R566-Q569 PolarHBondContact O-N 3.19Å; Q569-L572 PolarHBondContact O-N 2.89Å; Q569-S573 PolarHBondContact O-N 3.09Å
570H86.2Confident83.2Confident92 Ų9254.9 Ų54.943%0.42631%0.31SS..Hα-helixtrans-63.3-48.7174.7-170.5-89.5000111.3H505 R566 A567 L572 S573 C574H505-H570 AromaticContact CD2-CE1 3.59Å; H505-H570 AromaticContact CD2-ND1 3.28Å; H505-H570 PolarHBondContact CD2-ND1 3.16Å; H505-H570 VanDerWaalsContact CD2-ND1 3.28Å; H505-H570 AromaticContact CE1-CE1 3.95Å; H505-H570 AromaticContact NE2-CE1 3.16Å; H505-H570 PolarHBondContact NE2-CE1 2.58Å; H505-H570 AromaticContact NE2-ND1 3.38Å; H505-H570 PolarHBondContact NE2-ND1 3.16Å; R566-H570 WeakPolarHBondContact O-CB 3.44Å; R566-H570 PolarHBondContact O-N 3.45Å; A567-H570 PolarHBondContact O-N 2.89Å; H570-L572 VanDerWaalsContact C-N 3.28Å; H570-L572 PolarHBondContact O-N 3.05Å; H570-S573 WeakPolarHBondContact O-CA 3.38Å; H570-S573 WeakPolarHBondContact O-CB 3.23Å; H570-S573 PolarHBondContact O-N 3Å; H570-C574 PolarHBondContact O-N 3.32Å; H570-C574 PolarHBondContact O-SG 2.71Å
571L87.9Confident83.1Confident9 Ų962.1 Ų62.15%0.04734%0.342CS..Hα-helixtrans-58.7-39.1176.9-177.261.8000112.4L502 H505 I506 F509 A567 G568 S573 C574 I575 L582L502-L571 HydrophobicContact CD1-CD1 3.73Å; H505-L571 HydrophobicContact CB-CD1 4.39Å; I506-L571 HydrophobicContact CG1-CD1 3.58Å; I506-L571 HydrophobicContact CG1-CD2 4.32Å; F509-L571 HydrophobicContact CB-CD2 4.11Å; F509-L571 HydrophobicContact CD1-CD2 3.72Å; F509-L571 HydrophobicContact CE1-CD2 4.38Å; F509-L571 HydrophobicContact CG-CD2 3.96Å; A567-L571 VanDerWaalsContact O-CB 3.25Å; A567-L571 WeakPolarHBondContact O-CB 3.47Å; A567-L571 PolarHBondContact O-N 3.3Å; G568-L571 PolarHBondContact O-N 2.97Å; L571-S573 VanDerWaalsContact C-N 3.32Å; L571-S573 PolarHBondContact O-N 2.95Å; L571-C574 PolarHBondContact O-N 3.23Å; L571-I575 HydrophobicContact CD1-CD1 3.63Å; L571-I575 HydrophobicContact CD1-CG1 4.11Å; L571-I575 HydrophobicContact CG-CD1 3.98Å; L571-I575 WeakPolarHBondContact O-CG1 3.5Å; L571-I575 PolarHBondContact O-N 3.3Å; L571-L582 HydrophobicContact CB-CD2 4.38Å; L571-L582 HydrophobicContact CD2-CD2 4.12Å; L571-L582 HydrophobicContact CG-CD2 4.1Å
572L88.1Confident83Confident26 Ų2662.7 Ų62.714%0.13635%0.345CS..Hα-helixtrans-66.7-31.5175.5-175.970.3000112.8G568 Q569 H570 S577 L582 K583G568-L572 WeakPolarHBondContact O-CB 3.12Å; G568-L572 PolarHBondContact O-N 3.46Å; Q569-L572 PolarHBondContact O-N 2.89Å; H570-L572 VanDerWaalsContact C-N 3.28Å; H570-L572 PolarHBondContact O-N 3.05Å; L572-S577 WeakPolarHBondContact O-CA 3.42Å; L572-S577 PolarHBondContact O-N 2.99Å; L572-L582 HydrophobicContact CB-CD2 4.01Å; L572-L582 HydrophobicContact CD1-CB 4.3Å; L572-L582 HydrophobicContact CD1-CD2 4.19Å; L572-L582 HydrophobicContact CD1-CG 4.4Å; L572-K583 HydrophobicContact CD1-CD 4.4Å; L572-K583 HydrophobicContact CD1-CG 3.9Å; L572-K583 HydrophobicContact CD2-CD 4.28Å; L572-K583 HydrophobicContact CD2-CG 3.49Å; L572-K583 VanDerWaalsContact CD2-CG 3.49Å; L572-K583 HydrophobicContact CG-CG 4.33Å
573S85.3Confident82.9Confident94 Ų9464.8 Ų64.866%0.65735%0.348SS*.Hα-helixtrans-66.6-46.9169.5-163.60000110.8Q569 H570 L571 N576Q569-S573 PolarHBondContact O-N 3.09Å; H570-S573 WeakPolarHBondContact O-CA 3.38Å; H570-S573 WeakPolarHBondContact O-CB 3.23Å; H570-S573 PolarHBondContact O-N 3Å; L571-S573 VanDerWaalsContact C-N 3.32Å; L571-S573 PolarHBondContact O-N 2.95Å; S573-N576 PolarHBondContact O-N 2.98Å
574C81.6Confident83Confident59 Ų5969 Ų6940%0.39937%0.369SS..Hα-helixtrans-66.4-39.1179.3-560000113.6L502 H570 L571 N576L502-C574 HydrophobicContact CD1-CB 3.72Å; H570-C574 PolarHBondContact O-N 3.32Å; H570-C574 PolarHBondContact O-SG 2.71Å; L571-C574 PolarHBondContact O-N 3.23Å; C574-N576 PolarHBondContact O-N 3.36Å; C574-N576 VanDerWaalsContact O-N 3.16Å
575I80.3Confident82.9Confident72 Ų7270.8 Ų70.837%0.36938%0.381SS..THydrogen-bonded Turntrans-8731.6179.1-54.4-179.3000110.7L502 I506 L571 S577L502-I575 HydrophobicContact CD1-CD1 4.26Å; L502-I575 HydrophobicContact CD1-CG1 3.92Å; L502-I575 HydrophobicContact CD2-CG1 4.33Å; I506-I575 HydrophobicContact CD1-CD1 4.38Å; L571-I575 HydrophobicContact CD1-CD1 3.63Å; L571-I575 HydrophobicContact CD1-CG1 4.11Å; L571-I575 HydrophobicContact CG-CD1 3.98Å; L571-I575 WeakPolarHBondContact O-CG1 3.5Å; L571-I575 PolarHBondContact O-N 3.3Å; I575-S577 VanDerWaalsContact C-N 3.3Å; I575-S577 PolarHBondContact O-N 3.39Å; I575-S577 VanDerWaalsContact O-N 3.15Å
576N67.1Low82.9Confident131 Ų13170 Ų7070%0.70138%0.376SS*.THydrogen-bonded Turntrans54.939.4166.5-149.45.9000114.4S573 C574 T578S573-N576 PolarHBondContact O-N 2.98Å; C574-N576 PolarHBondContact O-N 3.36Å; C574-N576 VanDerWaalsContact O-N 3.16Å; N576-T578 PolarHBondContact O-N 2.96Å; N576-T578 PolarHBondContact O-OG1 2.96Å
577S62.8Low82.9Confident62 Ų6268.3 Ų68.343%0.43438%0.377SS..THydrogen-bonded Turntrans60.2-6.7171.581.70000119L572 I575 K583L572-S577 WeakPolarHBondContact O-CA 3.42Å; L572-S577 PolarHBondContact O-N 2.99Å; I575-S577 VanDerWaalsContact C-N 3.3Å; I575-S577 PolarHBondContact O-N 3.39Å; I575-S577 VanDerWaalsContact O-N 3.15Å; S577-K583 WeakPolarHBondContact O-CE 3.42Å; S577-K583 PolarHBondContact O-NZ 2.94Å
578T58.2Low83.2Confident117 Ų11771.5 Ų71.572%0.71839%0.391SS*.  trans-103.622.8-163.5-40.70000113.3N576 P580N576-T578 PolarHBondContact O-N 2.96Å; N576-T578 PolarHBondContact O-OG1 2.96Å; T578-P580 WeakPolarHBondContact O-CD 3.26Å
579S74.7Confident83.3Confident35 Ų3572.2 Ų72.225%0.24539%0.394CS..  trans-96.696.3163.5-177.50000109.2F581 L582 K583S579-F581 VanDerWaalsContact C-N 3.32Å; S579-L582 PolarHBondContact O-N 2.68Å; S579-L582 WeakPolarHBondContact OG-CB 3.37Å; S579-L582 PolarHBondContact OG-N 2.94Å; S579-K583 PolarHBondContact O-N 3.36Å
580P79Confident83.4Confident83 Ų8372 Ų7254%0.53939%0.393SS..Hα-helixtrans-61.5-44.2173.324.7-32.1000110.1T578 L582 K583 D584T578-P580 WeakPolarHBondContact O-CD 3.26Å; P580-L582 VanDerWaalsContact C-N 3.26Å; P580-L582 PolarHBondContact O-N 2.94Å; P580-L582 VanDerWaalsContact O-N 3.11Å; P580-K583 CarbonylContact O-C 3.57Å; P580-K583 WeakPolarHBondContact O-CA 3.28Å; P580-K583 VanDerWaalsContact O-CB 3.3Å; P580-K583 WeakPolarHBondContact O-CB 3.34Å; P580-K583 PolarHBondContact O-N 3.12Å; P580-D584 VanDerWaalsContact C-OD2 3.22Å; P580-D584 PolarHBondContact O-N 2.85Å; P580-D584 VanDerWaalsContact O-OD2 3.05Å
581F86.3Confident83.7Confident153 Ų15374.7 Ų74.767%0.67140%0.404SS*.Hα-helixtrans-51.7-39.1177.6-176.8-97.2000114S579 T585S579-F581 VanDerWaalsContact C-N 3.32Å; F581-T585 HydrophobicContact CD1-CG2 4.37Å; F581-T585 HydrophobicContact CE1-CG2 3.97Å; F581-T585 HydrophobicContact CE2-CG2 4.14Å; F581-T585 HydrophobicContact CZ-CG2 3.85Å; F581-T585 WeakPolarHBondContact O-CB 3.46Å; F581-T585 WeakPolarHBondContact O-CG2 3.5Å; F581-T585 PolarHBondContact O-N 3.44Å; F581-T585 PolarHBondContact O-OG1 3.25Å
582L87.8Confident83.8Confident16 Ų1678.7 Ų78.78%0.08442%0.422CS..Hα-helixtrans-71-35.2175.2-176.659.2000112.3F509 L571 L572 S579 P580 T585 L586F509-L582 HydrophobicContact CE1-CD1 3.83Å; F509-L582 HydrophobicContact CZ-CD1 3.66Å; L571-L582 HydrophobicContact CB-CD2 4.38Å; L571-L582 HydrophobicContact CD2-CD2 4.12Å; L571-L582 HydrophobicContact CG-CD2 4.1Å; L572-L582 HydrophobicContact CB-CD2 4.01Å; L572-L582 HydrophobicContact CD1-CB 4.3Å; L572-L582 HydrophobicContact CD1-CD2 4.19Å; L572-L582 HydrophobicContact CD1-CG 4.4Å; S579-L582 PolarHBondContact O-N 2.68Å; S579-L582 WeakPolarHBondContact OG-CB 3.37Å; S579-L582 PolarHBondContact OG-N 2.94Å; P580-L582 VanDerWaalsContact C-N 3.26Å; P580-L582 PolarHBondContact O-N 2.94Å; P580-L582 VanDerWaalsContact O-N 3.11Å; L582-T585 WeakPolarHBondContact CA-OG1 3.43Å; L582-T585 PolarHBondContact O-OG1 3.03Å; L582-L586 HydrophobicContact CD1-CD1 4.13Å; L582-L586 HydrophobicContact CD1-CG 4.27Å; L582-L586 HydrophobicContact CG-CD1 4.1Å; L582-L586 WeakPolarHBondContact O-CB 3.32Å; L582-L586 VanDerWaalsContact O-CD1 3.29Å; L582-L586 WeakPolarHBondContact O-CD1 3.49Å; L582-L586 WeakPolarHBondContact O-CG 3.44Å; L582-L586 PolarHBondContact O-N 3.41Å
583K88.1Confident83.8Confident94 Ų9477.8 Ų77.841%0.40942%0.418SS..Hα-helixtrans-64.7-47.7171.8-71163.3168.2168.30111L572 S577 S579 P580 T585 L586 L587L572-K583 HydrophobicContact CD1-CD 4.4Å; L572-K583 HydrophobicContact CD1-CG 3.9Å; L572-K583 HydrophobicContact CD2-CD 4.28Å; L572-K583 HydrophobicContact CD2-CG 3.49Å; L572-K583 VanDerWaalsContact CD2-CG 3.49Å; L572-K583 HydrophobicContact CG-CG 4.33Å; S577-K583 WeakPolarHBondContact O-CE 3.42Å; S577-K583 PolarHBondContact O-NZ 2.94Å; S579-K583 PolarHBondContact O-N 3.36Å; P580-K583 CarbonylContact O-C 3.57Å; P580-K583 WeakPolarHBondContact O-CA 3.28Å; P580-K583 VanDerWaalsContact O-CB 3.3Å; P580-K583 WeakPolarHBondContact O-CB 3.34Å; P580-K583 PolarHBondContact O-N 3.12Å; K583-T585 PolarHBondContact O-N 3.28Å; K583-L586 PolarHBondContact O-N 3.38Å; K583-L587 WeakPolarHBondContact O-CB 3.46Å; K583-L587 PolarHBondContact O-N 2.83Å
584D90.3Very high83.9Confident96 Ų9674.9 Ų74.951%0.51340%0.403SS..Hα-helixtrans-66.2-39-174.9-56-33.7000111.6P580 L588P580-D584 VanDerWaalsContact C-OD2 3.22Å; P580-D584 PolarHBondContact O-N 2.85Å; P580-D584 VanDerWaalsContact O-OD2 3.05Å; D584-L588 WeakPolarHBondContact O-CB 3.2Å; D584-L588 PolarHBondContact O-N 3.24Å
585T89.8Confident84.2Confident38 Ų3874.8 Ų74.823%0.23341%0.406CS..Hα-helixtrans-69.8-37.7175.447.20000113.1F581 L582 K583 L588 I589F581-T585 HydrophobicContact CD1-CG2 4.37Å; F581-T585 HydrophobicContact CE1-CG2 3.97Å; F581-T585 HydrophobicContact CE2-CG2 4.14Å; F581-T585 HydrophobicContact CZ-CG2 3.85Å; F581-T585 WeakPolarHBondContact O-CB 3.46Å; F581-T585 WeakPolarHBondContact O-CG2 3.5Å; F581-T585 PolarHBondContact O-N 3.44Å; F581-T585 PolarHBondContact O-OG1 3.25Å; L582-T585 WeakPolarHBondContact CA-OG1 3.43Å; L582-T585 PolarHBondContact O-OG1 3.03Å; K583-T585 PolarHBondContact O-N 3.28Å; T585-L588 PolarHBondContact O-N 3.23Å; T585-I589 WeakPolarHBondContact O-CD1 3.47Å; T585-I589 VanDerWaalsContact O-CG1 3.31Å; T585-I589 WeakPolarHBondContact O-CG1 3.4Å; T585-I589 PolarHBondContact O-N 3.27Å
586L91.1Very high84.6Confident12 Ų1272.3 Ų72.36%0.06339%0.394CS..Hα-helixtrans-66.6-42173.9-66.5168.1000111.7F509 V564 L565 L582 K583 L588 I589 E590F509-L586 HydrophobicContact CE2-CD2 3.98Å; F509-L586 HydrophobicContact CZ-CD2 4.27Å; V564-L586 HydrophobicContact CG1-CD2 4.47Å; L565-L586 HydrophobicContact CD2-CB 4.08Å; L565-L586 HydrophobicContact CD2-CD2 4.05Å; L565-L586 WeakPolarHBondContact CD2-O 3.34Å; L582-L586 HydrophobicContact CD1-CD1 4.13Å; L582-L586 HydrophobicContact CD1-CG 4.27Å; L582-L586 HydrophobicContact CG-CD1 4.1Å; L582-L586 WeakPolarHBondContact O-CB 3.32Å; L582-L586 VanDerWaalsContact O-CD1 3.29Å; L582-L586 WeakPolarHBondContact O-CD1 3.49Å; L582-L586 WeakPolarHBondContact O-CG 3.44Å; L582-L586 PolarHBondContact O-N 3.41Å; K583-L586 PolarHBondContact O-N 3.38Å; L586-L588 VanDerWaalsContact C-N 3.33Å; L586-L588 PolarHBondContact O-N 2.67Å; L586-I589 PolarHBondContact O-N 3.05Å; L586-E590 PolarHBondContact O-N 2.98Å
587L92.2Very high85.7Confident101 Ų10169.1 Ų69.153%0.52938%0.375SS..Hα-helixtrans-63.5-39.3174.7-160.3169.2000110.9K583 E590 K591K583-L587 WeakPolarHBondContact O-CB 3.46Å; K583-L587 PolarHBondContact O-N 2.83Å; L587-E590 PolarHBondContact O-N 3.04Å; L587-K591 VanDerWaalsContact O-CB 3.26Å; L587-K591 WeakPolarHBondContact O-CB 3.36Å; L587-K591 PolarHBondContact O-N 3.16Å
588L92.8Very high87Confident86 Ų8671.4 Ų71.445%0.4538%0.382SS..Hα-helixtrans-61.6-42.6174-178.862.4000112.2D584 T585 L586 K591 Q592D584-L588 WeakPolarHBondContact O-CB 3.2Å; D584-L588 PolarHBondContact O-N 3.24Å; T585-L588 PolarHBondContact O-N 3.23Å; L586-L588 VanDerWaalsContact C-N 3.33Å; L586-L588 PolarHBondContact O-N 2.67Å; L588-K591 PolarHBondContact O-N 3.25Å; L588-Q592 HydrophobicContact CD1-CG 4.28Å; L588-Q592 WeakPolarHBondContact O-CB 3.39Å; L588-Q592 VanDerWaalsContact O-CG 3.3Å; L588-Q592 WeakPolarHBondContact O-CG 3.47Å; L588-Q592 PolarHBondContact O-N 2.95Å
589I91Very high88.5Confident14 Ų1469.1 Ų69.17%0.07236%0.363CS..Hα-helixtrans-63.4-45.1176.6-71.9162000111.3L513 L516 T561 V564 L565 T585 L586 Q592 T593L513-I589 HydrophobicContact CD1-CD1 3.58Å; L516-I589 HydrophobicContact CD2-CD1 4.29Å; L516-I589 HydrophobicContact CD2-CG1 4.36Å; L516-I589 HydrophobicContact CD2-CG2 3.59Å; T561-I589 HydrophobicContact CG2-CG2 4.1Å; V564-I589 HydrophobicContact CG1-CD1 4.18Å; L565-I589 HydrophobicContact CD2-CG2 4.34Å; T585-I589 WeakPolarHBondContact O-CD1 3.47Å; T585-I589 VanDerWaalsContact O-CG1 3.31Å; T585-I589 WeakPolarHBondContact O-CG1 3.4Å; T585-I589 PolarHBondContact O-N 3.27Å; L586-I589 PolarHBondContact O-N 3.05Å; I589-Q592 PolarHBondContact O-N 3.14Å; I589-T593 WeakPolarHBondContact O-CB 3.45Å; I589-T593 PolarHBondContact O-N 3.01Å; I589-T593 PolarHBondContact O-OG1 2.88Å
590E91.9Very high89.2Confident121 Ų12167.5 Ų67.557%0.56535%0.352SS*.Hα-helixtrans-60.6-47.7175.5-176.7173.3-15400111L565 L586 L587 Q592 T593 G594L565-E590 HydrophobicContact CD1-CB 4.41Å; L565-E590 HydrophobicContact CD2-CB 4.49Å; L586-E590 PolarHBondContact O-N 2.98Å; L587-E590 PolarHBondContact O-N 3.04Å; E590-Q592 PolarHBondContact O-N 3Å; E590-T593 PolarHBondContact O-N 3.04Å; E590-G594 PolarHBondContact O-N 3.08Å
591K92.1Very high89.7Confident150 Ų15067 Ų6765%0.65234%0.344SS*.Hα-helixtrans-61.7-42.1177.3-175.5179.4180-178.60112.8L587 L588 A595L587-K591 VanDerWaalsContact O-CB 3.26Å; L587-K591 WeakPolarHBondContact O-CB 3.36Å; L587-K591 PolarHBondContact O-N 3.16Å; L588-K591 PolarHBondContact O-N 3.25Å; K591-A595 WeakPolarHBondContact O-CB 3.33Å; K591-A595 PolarHBondContact O-N 3.31Å
592Q89.1Confident89.9Confident92 Ų9265.9 Ų65.943%0.4334%0.341SS..Hα-helixtrans-65.6-42176.2-77.8177.8-800111.6L588 I589 E590 A595 L596L588-Q592 HydrophobicContact CD1-CG 4.28Å; L588-Q592 WeakPolarHBondContact O-CB 3.39Å; L588-Q592 VanDerWaalsContact O-CG 3.3Å; L588-Q592 WeakPolarHBondContact O-CG 3.47Å; L588-Q592 PolarHBondContact O-N 2.95Å; I589-Q592 PolarHBondContact O-N 3.14Å; E590-Q592 PolarHBondContact O-N 3Å; Q592-A595 PolarHBondContact O-N 2.92Å; Q592-L596 PolarHBondContact O-N 2.86Å
593T88.4Confident89.9Confident8 Ų865.8 Ų65.85%0.04934%0.341CS..Hα-helixtrans-66.4-41.4178.2-51.80000111.3T561 I589 E590 L596 Q597T561-T593 HydrophobicContact CG2-CG2 4.13Å; I589-T593 WeakPolarHBondContact O-CB 3.45Å; I589-T593 PolarHBondContact O-N 3.01Å; I589-T593 PolarHBondContact O-OG1 2.88Å; E590-T593 PolarHBondContact O-N 3.04Å; T593-L596 PolarHBondContact O-N 2.99Å; T593-Q597 PolarHBondContact O-N 3Å; T593-Q597 VanDerWaalsContact O-N 3.08Å
594G87.4Confident90.1Very high33 Ų3365.3 Ų65.334%0.3434%0.339SS..Hα-helixtrans-63.5-40.517300000113.1E590 L596 Q597 N598E590-G594 PolarHBondContact O-N 3.08Å; G594-L596 VanDerWaalsContact C-N 3.35Å; G594-L596 PolarHBondContact O-N 2.68Å; G594-Q597 PolarHBondContact O-N 3.1Å; G594-N598 PolarHBondContact O-N 3.38Å; G594-N598 PolarHBondContact O-ND2 3.27Å
595A88.4Confident90.1Very high57 Ų5764 Ų6447%0.47134%0.338SS..Hα-helixtrans-63.5-39175.100000112.5K591 Q592 N598 H599K591-A595 WeakPolarHBondContact O-CB 3.33Å; K591-A595 PolarHBondContact O-N 3.31Å; Q592-A595 PolarHBondContact O-N 2.92Å; A595-N598 PolarHBondContact O-N 3.33Å; A595-H599 PolarHBondContact O-N 3.3Å
596L89.1Confident90.1Very high20 Ų2064.2 Ų64.211%0.10534%0.341CS..Hα-helixtrans-65.9-39.5176.2-171.267.4000112.1L523 M527 F550 L554 Q592 T593 G594 H599 S600L523-L596 HydrophobicContact CB-CD2 4.05Å; L523-L596 HydrophobicContact CD1-CD2 3.87Å; L523-L596 HydrophobicContact CD2-CD2 4.36Å; L523-L596 HydrophobicContact CG-CD2 4.33Å; M527-L596 HydrophobicContact SD-CD1 3.88Å; F550-L596 HydrophobicContact CE2-CD1 4.15Å; F550-L596 HydrophobicContact CZ-CD1 3.8Å; F550-L596 HydrophobicContact CZ-CG 4.18Å; L554-L596 HydrophobicContact CD2-CD2 3.75Å; L554-L596 HydrophobicContact CD2-CG 4.05Å; L554-L596 HydrophobicContact CG-CD2 4.22Å; L554-L596 HydrophobicContact CG-CG 4.43Å; Q592-L596 PolarHBondContact O-N 2.86Å; T593-L596 PolarHBondContact O-N 2.99Å; G594-L596 VanDerWaalsContact C-N 3.35Å; G594-L596 PolarHBondContact O-N 2.68Å; L596-H599 PolarHBondContact O-N 3.17Å; L596-S600 PolarHBondContact O-N 3.43Å
597Q90.3Very high90.1Very high63 Ų6363.7 Ų63.729%0.29434%0.338SS..Hα-helixtrans-64.1-48.4173.7-175.559.756.500111.4T593 G594 H599 S600 D601T593-Q597 PolarHBondContact O-N 3Å; T593-Q597 VanDerWaalsContact O-N 3.08Å; G594-Q597 PolarHBondContact O-N 3.1Å; Q597-H599 PolarHBondContact O-N 3.41Å; Q597-S600 WeakPolarHBondContact O-CA 3.47Å; Q597-S600 WeakPolarHBondContact O-CB 3.36Å; Q597-S600 PolarHBondContact O-N 3.46Å; Q597-D601 PolarHBondContact NE2-OD1 3.19Å; Q597-D601 VanDerWaalsContact O-CG 3.3Å; Q597-D601 PolarHBondContact O-N 3.05Å
598N90.3Very high89.9Confident111 Ų11162.2 Ų62.259%0.59433%0.33SS*.Hα-helixtrans-58.2-34.7176.9-67-19.2000112.2G594 A595 D601 H602G594-N598 PolarHBondContact O-N 3.38Å; G594-N598 PolarHBondContact O-ND2 3.27Å; A595-N598 PolarHBondContact O-N 3.33Å; N598-D601 PolarHBondContact O-N 3.48Å; N598-H602 WeakPolarHBondContact O-CB 3.4Å; N598-H602 PolarHBondContact O-N 2.95Å
599H87.7Confident89.8Confident68 Ų6861.4 Ų61.432%0.31533%0.332SS..Hα-helixtrans-68.5-41.8173.9-174.781.5000112.2M527 A595 L596 Q597 D601 H602 V603M527-H599 VanDerWaalsContact CG-CD2 3.49Å; M527-H599 WeakPolarHBondContact CG-CD2 3.19Å; M527-H599 WeakPolarHBondContact CG-NE2 3.4Å; M527-H599 VanDerWaalsContact SD-CD2 3.56Å; A595-H599 PolarHBondContact O-N 3.3Å; L596-H599 PolarHBondContact O-N 3.17Å; Q597-H599 PolarHBondContact O-N 3.41Å; H599-D601 VanDerWaalsContact C-N 3.29Å; H599-D601 PolarHBondContact O-N 3.23Å; H599-H602 PolarHBondContact O-N 2.92Å; H599-V603 WeakPolarHBondContact NE2-CG2 3.48Å; H599-V603 WeakPolarHBondContact O-CG2 3.49Å; H599-V603 PolarHBondContact O-N 3.12Å
600S90Very high89.6Confident1 Ų161.5 Ų61.51%0.00734%0.335CS..Hα-helixtrans-53.8-47.2171.6-1670000111.3Y547 L596 Q597 H602 V603 F604Y547-S600 WeakPolarHBondContact CE2-O 3.36Å; Y547-S600 WeakPolarHBondContact CE2-OG 3.39Å; Y547-S600 PolarHBondContact OH-OG 3.09Å; L596-S600 PolarHBondContact O-N 3.43Å; Q597-S600 WeakPolarHBondContact O-CA 3.47Å; Q597-S600 WeakPolarHBondContact O-CB 3.36Å; Q597-S600 PolarHBondContact O-N 3.46Å; S600-H602 PolarHBondContact O-N 2.73Å; S600-V603 PolarHBondContact O-N 2.89Å; S600-F604 WeakPolarHBondContact O-CB 3.49Å; S600-F604 PolarHBondContact O-N 2.88Å
601D90.8Very high89.4Confident72 Ų7259.7 Ų59.739%0.38533%0.327SS..Hα-helixtrans-69.6-34.5-177.1-56.6-22.9000111.8Q597 N598 H599 S605Q597-D601 PolarHBondContact NE2-OD1 3.19Å; Q597-D601 VanDerWaalsContact O-CG 3.3Å; Q597-D601 PolarHBondContact O-N 3.05Å; N598-D601 PolarHBondContact O-N 3.48Å; H599-D601 VanDerWaalsContact C-N 3.29Å; H599-D601 PolarHBondContact O-N 3.23Å; D601-S605 WeakPolarHBondContact O-CB 3.33Å; D601-S605 PolarHBondContact O-N 3.41Å; D601-S605 PolarHBondContact O-OG 2.85Å
602H90.1Very high89.2Confident130 Ų13057.2 Ų57.260%0.60232%0.321SS*.Hα-helixtrans-65.9-45.2171.4179.5-81.6000112.3N598 H599 S600 S605 S606N598-H602 WeakPolarHBondContact O-CB 3.4Å; N598-H602 PolarHBondContact O-N 2.95Å; H599-H602 PolarHBondContact O-N 2.92Å; S600-H602 PolarHBondContact O-N 2.73Å; H602-S605 PolarHBondContact O-N 2.94Å; H602-S606 WeakPolarHBondContact O-CB 3.48Å; H602-S606 PolarHBondContact O-N 3.19Å
603V87.6Confident89.1Confident15 Ų1556.9 Ų56.99%0.09133%0.329CS..Hα-helixtrans-60.9-45.2176.2166.70000110.7I530 Y547 H599 S600 S605 S606 I607I530-V603 HydrophobicContact CG2-CG1 3.58Å; Y547-V603 HydrophobicContact CD2-CB 4.49Å; Y547-V603 HydrophobicContact CD2-CG1 3.81Å; Y547-V603 HydrophobicContact CE2-CG1 4.49Å; H599-V603 WeakPolarHBondContact NE2-CG2 3.48Å; H599-V603 WeakPolarHBondContact O-CG2 3.49Å; H599-V603 PolarHBondContact O-N 3.12Å; S600-V603 PolarHBondContact O-N 2.89Å; V603-S605 VanDerWaalsContact C-N 3.35Å; V603-S605 PolarHBondContact O-N 3.41Å; V603-S606 WeakPolarHBondContact O-CB 3.43Å; V603-S606 PolarHBondContact O-N 3.06Å; V603-I607 HydrophobicContact CG1-CD1 3.93Å; V603-I607 WeakPolarHBondContact O-CG1 3.48Å; V603-I607 PolarHBondContact O-N 3.03Å
604F90.9Very high88.8Confident83 Ų8360.4 Ų60.436%0.36435%0.347SS..Hα-helixtrans-59.2-44.8174.6-175.5-113.7000112.2Y547 S600 S606 I607 L608Y547-F604 HydrophobicContact CD1-CD2 4.27Å; Y547-F604 HydrophobicContact CE1-CB 4.37Å; Y547-F604 AromaticContact CE1-CD2 3.67Å; Y547-F604 HydrophobicContact CE1-CD2 3.67Å; Y547-F604 HydrophobicContact CE1-CE2 4.41Å; Y547-F604 HydrophobicContact CE1-CG 4.33Å; Y547-F604 HydrophobicContact CE2-CB 3.94Å; Y547-F604 AromaticContact CZ-CD2 3.93Å; S600-F604 WeakPolarHBondContact O-CB 3.49Å; S600-F604 PolarHBondContact O-N 2.88Å; F604-S606 VanDerWaalsContact C-N 3.31Å; F604-S606 PolarHBondContact O-N 3.11Å; F604-I607 PolarHBondContact O-N 3.48Å; F604-L608 HydrophobicContact CD1-CD1 4.04Å; F604-L608 HydrophobicContact CE1-CD1 3.57Å; F604-L608 HydrophobicContact CE1-CG 4.27Å; F604-L608 HydrophobicContact CZ-CD1 3.9Å; F604-L608 HydrophobicContact CZ-CD2 4.35Å; F604-L608 HydrophobicContact CZ-CG 4.22Å; F604-L608 WeakPolarHBondContact O-CG 3.37Å; F604-L608 PolarHBondContact O-N 3.42Å
605S91.5Very high88.4Confident70 Ų7062.4 Ų62.449%0.4936%0.36SS..Hα-helixtrans-62.4-36.9176.3-57.50000112.6D601 H602 V603 S609D601-S605 WeakPolarHBondContact O-CB 3.33Å; D601-S605 PolarHBondContact O-N 3.41Å; D601-S605 PolarHBondContact O-OG 2.85Å; H602-S605 PolarHBondContact O-N 2.94Å; V603-S605 VanDerWaalsContact C-N 3.35Å; V603-S605 PolarHBondContact O-N 3.41Å; S605-S609 WeakPolarHBondContact O-CB 3.27Å; S605-S609 PolarHBondContact O-N 2.87Å
606S90.4Very high87.6Confident42 Ų4265.7 Ų65.729%0.29437%0.37SS..Hα-helixtrans-67.5-41.4174.8-178.90000112.2H602 V603 F604 S609 A610H602-S606 WeakPolarHBondContact O-CB 3.48Å; H602-S606 PolarHBondContact O-N 3.19Å; V603-S606 WeakPolarHBondContact O-CB 3.43Å; V603-S606 PolarHBondContact O-N 3.06Å; F604-S606 VanDerWaalsContact C-N 3.31Å; F604-S606 PolarHBondContact O-N 3.11Å; S606-S609 PolarHBondContact O-N 2.98Å; S606-A610 WeakPolarHBondContact O-CB 3.5Å; S606-A610 PolarHBondContact O-N 2.88Å
607I89.3Confident86.1Confident1 Ų169.3 Ų69.31%0.00539%0.394CS..Hα-helixtrans-63.3-44.2175.1-67164.7000110.8P533 V540 L544 Y547 V603 F604 A610 M611P533-I607 HydrophobicContact CG-CG1 4.27Å; V540-I607 HydrophobicContact CG1-CG2 4.49Å; L544-I607 HydrophobicContact CB-CG2 4.32Å; L544-I607 HydrophobicContact CD1-CG2 4.4Å; Y547-I607 HydrophobicContact CG-CD1 4.2Å; V603-I607 HydrophobicContact CG1-CD1 3.93Å; V603-I607 WeakPolarHBondContact O-CG1 3.48Å; V603-I607 PolarHBondContact O-N 3.03Å; F604-I607 PolarHBondContact O-N 3.48Å; I607-A610 PolarHBondContact O-N 3.41Å; I607-M611 HydrophobicContact CG2-SD 4.36Å; I607-M611 WeakPolarHBondContact O-CG 3.46Å; I607-M611 PolarHBondContact O-N 3.28Å
608L89.9Confident84.2Confident69 Ų6972.9 Ų72.936%0.36142%0.421SS..Hα-helixtrans-61.5-47.3174.7-70.4179.6000111.9F604 A610 M611 D612F604-L608 HydrophobicContact CD1-CD1 4.04Å; F604-L608 HydrophobicContact CE1-CD1 3.57Å; F604-L608 HydrophobicContact CE1-CG 4.27Å; F604-L608 HydrophobicContact CZ-CD1 3.9Å; F604-L608 HydrophobicContact CZ-CD2 4.35Å; F604-L608 HydrophobicContact CZ-CG 4.22Å; F604-L608 WeakPolarHBondContact O-CG 3.37Å; F604-L608 PolarHBondContact O-N 3.42Å; L608-A610 VanDerWaalsContact C-N 3.27Å; L608-A610 PolarHBondContact O-N 2.94Å; L608-M611 WeakPolarHBondContact O-CA 3.31Å; L608-M611 WeakPolarHBondContact O-CB 3.42Å; L608-M611 PolarHBondContact O-N 3.3Å; L608-D612 PolarHBondContact O-N 3.31Å
609S89.5Confident82.2Confident70 Ų7075.5 Ų75.549%0.4943%0.429SS..Hα-helixtrans-61.4-34.8178.4-175.70000112.9S605 S606 S613S605-S609 WeakPolarHBondContact O-CB 3.27Å; S605-S609 PolarHBondContact O-N 2.87Å; S606-S609 PolarHBondContact O-N 2.98Å; S609-S613 WeakPolarHBondContact O-CB 3.46Å; S609-S613 PolarHBondContact O-N 3.16Å; S609-S613 PolarHBondContact O-OG 3.03Å
610A87.3Confident80.1Confident16 Ų1680.6 Ų80.613%0.13245%0.452CS..Hα-helixtrans-70.9-37172.800000112.7P533 V540 S606 I607 L608 L614P533-A610 HydrophobicContact CB-CB 4.32Å; P533-A610 HydrophobicContact CG-CB 3.66Å; V540-A610 HydrophobicContact CG2-CB 3.95Å; S606-A610 WeakPolarHBondContact O-CB 3.5Å; S606-A610 PolarHBondContact O-N 2.88Å; I607-A610 PolarHBondContact O-N 3.41Å; L608-A610 VanDerWaalsContact C-N 3.27Å; L608-A610 PolarHBondContact O-N 2.94Å; A610-L614 PolarHBondContact O-N 3.42Å; A610-L614 VanDerWaalsContact O-N 3.11Å
611M87.5Confident77.8Confident82 Ų8285.8 Ų85.840%0.40449%0.488SS..Hα-helixtrans-62.8-45.9171.3-75.217858.500111.9V540 I607 L608 S613 L614 A615V540-M611 HydrophobicContact CG1-CG 3.4Å; V540-M611 VanDerWaalsContact CG1-CG 3.4Å; V540-M611 HydrophobicContact CG1-SD 4.26Å; I607-M611 HydrophobicContact CG2-SD 4.36Å; I607-M611 WeakPolarHBondContact O-CG 3.46Å; I607-M611 PolarHBondContact O-N 3.28Å; L608-M611 WeakPolarHBondContact O-CA 3.31Å; L608-M611 WeakPolarHBondContact O-CB 3.42Å; L608-M611 PolarHBondContact O-N 3.3Å; M611-S613 VanDerWaalsContact C-N 3.34Å; M611-S613 PolarHBondContact O-N 2.97Å; M611-L614 CarbonylContact O-C 3.59Å; M611-L614 WeakPolarHBondContact O-CB 3.31Å; M611-L614 PolarHBondContact O-N 3.49Å; M611-A615 WeakPolarHBondContact O-CB 3.34Å; M611-A615 PolarHBondContact O-N 2.85Å
612D87.5Confident75.7Confident99 Ų9988.2 Ų88.253%0.52951%0.508SS..Hα-helixtrans-65.6-38.1179.2-68.2-27.6000111.4L608 L614 A615 L616L608-D612 PolarHBondContact O-N 3.31Å; D612-L614 VanDerWaalsContact C-N 3.29Å; D612-L614 PolarHBondContact O-N 3.04Å; D612-A615 PolarHBondContact O-N 2.85Å; D612-A615 VanDerWaalsContact O-N 3.12Å; D612-L616 WeakPolarHBondContact O-CD1 3.4Å; D612-L616 PolarHBondContact O-N 3.18Å
613S86.3Confident73.5Confident85 Ų8588 Ų8859%0.59452%0.516SS*.Hα-helixtrans-64.9-30.4174.5-59.10000113.1S609 M611S609-S613 WeakPolarHBondContact O-CB 3.46Å; S609-S613 PolarHBondContact O-N 3.16Å; S609-S613 PolarHBondContact O-OG 3.03Å; M611-S613 VanDerWaalsContact C-N 3.34Å; M611-S613 PolarHBondContact O-N 2.97Å
614L83.6Confident71.5Confident82 Ų8296.6 Ų96.643%0.42956%0.555SS.*Hα-helixtrans-80.2-25.9171-84.3171.4000113.3G535 F537 V540 A610 M611 D612G535-L614 WeakPolarHBondContact O-CD1 3.5Å; G535-L614 WeakPolarHBondContact O-CD2 3.4Å; G535-L614 WeakPolarHBondContact O-CG 3.46Å; F537-L614 HydrophobicContact CB-CD1 4.27Å; V540-L614 HydrophobicContact CG2-CD1 3.96Å; A610-L614 PolarHBondContact O-N 3.42Å; A610-L614 VanDerWaalsContact O-N 3.11Å; M611-L614 CarbonylContact O-C 3.59Å; M611-L614 WeakPolarHBondContact O-CB 3.31Å; M611-L614 PolarHBondContact O-N 3.49Å; D612-L614 VanDerWaalsContact C-N 3.29Å; D612-L614 PolarHBondContact O-N 3.04Å
615A78.5Confident69.5Low74 Ų74100.7 Ų100.761%0.61258%0.58SS**Hα-helixtrans-83.4-23.8-18000000112.9M611 D612 P617M611-A615 WeakPolarHBondContact O-CB 3.34Å; M611-A615 PolarHBondContact O-N 2.85Å; D612-A615 PolarHBondContact O-N 2.85Å; D612-A615 VanDerWaalsContact O-N 3.12Å; A615-P617 VanDerWaalsContact O-CD 3.28Å; A615-P617 WeakPolarHBondContact O-CD 3.28Å
616L71.7Confident67.3Low127 Ų127108.9 Ų108.967%0.66560%0.601SS**SBendtrans-66.7115.9168.3-100.974.1000109.9D612D612-L616 WeakPolarHBondContact O-CD1 3.4Å; D612-L616 PolarHBondContact O-N 3.18Å
617P56.8Low65Low95 Ų95115.4 Ų115.462%0.61763%0.626SS**  trans-65.6139.7175.427.5-34.3000110.5A615 H619A615-P617 VanDerWaalsContact O-CD 3.28Å; A615-P617 WeakPolarHBondContact O-CD 3.28Å; P617-H619 PolarHBondContact O-N 3.06Å
618T51.5Low63.1Low139 Ų139124.7 Ų124.785%0.85367%0.67SS**  trans-7059.8-174.7-34.80000113.7H620T618-H620 PolarHBondContact O-N 3.39Å
619H47.5Very low61.3Low166 Ų166130 Ų13077%0.76969%0.69SS**  trans-78.951.5178.1-88.4-68.5000113.3P617P617-H619 PolarHBondContact O-N 3.06Å
620H44.1Very low59.3Low175 Ų175133.9 Ų133.981%0.8171%0.705SS**  trans-117.493162.4-83.6-66.3000110T618 P622T618-H620 PolarHBondContact O-N 3.39Å; H620-P622 WeakPolarHBondContact O-CD 3.34Å
621S42.2Very low57.5Low109 Ų109139 Ų13976%0.76274%0.74SS**  trans-71.3116.1174.633.50000111.4T623S621-T623 PolarHBondContact O-N 3.32Å
622P46.3Very low56Low123 Ų123139.8 Ų139.880%0.79976%0.759SS**  trans-93.465.7-172.937.2-34.6000112.3H620H620-P622 WeakPolarHBondContact O-CD 3.34Å
623T42.8Very low54.4Low126 Ų126138.5 Ų138.577%0.77377%0.769SS**  trans-151.542.2-179.7-3.70000117.5S621S621-T623 PolarHBondContact O-N 3.32Å
624Q45.8Very low52.4Low195 Ų195145.1 Ų145.191%0.91181%0.807SS**  trans-143.770.9159.9-77.3-156.64.700113.2
625L49Very low50.9Low169 Ų169148.3 Ų148.389%0.88583%0.825SS**SBendtrans-157.445.6163.7-136.7160.7000115.1
626R45.4Very low49.4Very low243 Ų243152.2 Ų152.292%0.91784%0.837SS**SBendtrans-167.799.4158.2-122.2178.9177.8-132.61.3112.8
627E43.6Very low48.2Very low179 Ų179153.6 Ų153.684%0.83685%0.846SS**  174.268.1122.8-92.5-169.6138.200110.2
628E49.3Very low47.7Very low196 Ų196157 Ų15792%0.91686%0.86SS**  trans-106.473.6160.7-165.6-166.614700109.4
629K52.2Low47.4Very low180 Ų180158.1 Ų158.178%0.78386%0.86SS**  trans-173.9156.4159.1-108.8157.6-174.4171.20109.1
630N46.8Very low47.4Very low151 Ų151157.6 Ų157.681%0.80787%0.866SS**  trans71.4124.4-168.6-36.9-34.2000112
631S49.1Very low47.7Very low123 Ų123156.4 Ų156.486%0.8687%0.87SS**  cis-152.7147.6-14.2-166.60000109.6
632A55Low48.1Very low99 Ų99160 Ų16082%0.81888%0.879SS**  trans-134.9121.2173.600000109.9
633G54.3Low48.3Very low72 Ų72163.1 Ų163.174%0.74289%0.885SS**  trans80.393.1167.200000116.6
634T45.6Very low48.8Very low224 Ų224166.5 Ų166.5100%1.37490%0.895SS**  -1570110.91.60000110.5

Retrieved 634 of 634 residues in 473 ms (Link to these results)