A0A3Q0KIB7_SCHMA Loading...

Putative single-stranded DNA-binding protein mssp-1

AlphaFold DB , UniProt , Accession A0A3Q0KIB7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 949 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M35.5Very low40.3Very low220 Ų220156.3 Ų156.3100%1.08483%0.831SS**  0137.10-71.2171.8166.100108.4
2Q39.8Very low40.1Very low189 Ų189153.7 Ų153.788%0.88383%0.834SS**  trans-132.4143.5173.3-79-177.2-31.800108.9
3P55.2Low39.8Very low123 Ų123147.8 Ų147.880%0.79983%0.831SS**  trans-80.3114.7167.231.6-30.2000110.1
4H46.3Very low39.8Very low172 Ų172149.4 Ų149.480%0.79683%0.828SS**PPolyproline II helixtrans-82.9127.1173179.4-87.3000110.1P6H4-P6 WeakPolarHBondContact O-CD 3.42Å
5W34.7Very low39.6Very low220 Ų220146.9 Ų146.983%0.83382%0.822SS**PPolyproline II helixtrans-70.4126.2175-101.8-84.5000111.1I7W5-I7 PolarHBondContact O-N 2.84Å
6P49.6Very low39.7Very low105 Ų105145 Ų14568%0.68282%0.815SS**PPolyproline II helixtrans-70.7119.4164.6-13.929.8000109.7H4 I8H4-P6 WeakPolarHBondContact O-CD 3.42Å; P6-I8 PolarHBondContact O-N 3.17Å
7I36.1Very low39.6Very low161 Ų161145.8 Ų145.883%0.82682%0.815SS**  trans-77.2113.7162.5-63169.8000106.6W5W5-I7 PolarHBondContact O-N 2.84Å
8I38.1Very low39.6Very low158 Ų158141.8 Ų141.881%0.8180%0.803SS**  trans-105.1110.2161.5-65.1-177.4000107.1P6P6-I8 PolarHBondContact O-N 3.17Å
9A36.8Very low39.5Very low81 Ų81143.2 Ų143.267%0.66981%0.808SS**  trans-77.5169.4175.600000111.2
10A35.7Very low39.5Very low98 Ų98139.2 Ų139.281%0.8180%0.801SS**  trans-61.3137.9-175.600000113.6
11M35.1Very low39.4Very low192 Ų192139.1 Ų139.195%0.94681%0.808SS**  trans-119.5107.6147.6-70.3-167.873.600107.9
12S38.4Very low39.4Very low125 Ų125133 Ų13387%0.87479%0.793SS**  trans-89113171.4440000108.4
13G36.7Very low39.3Very low77 Ų77131.9 Ų131.979%0.79479%0.791SS**  trans-115.9109176.600000110.2
14H38.7Very low38.3Very low171 Ų171131.3 Ų131.379%0.79279%0.79SS**  trans-84.7134.9176-151.7-82.1000109.7
15P38.1Very low37.9Very low112 Ų112130.7 Ų130.773%0.72779%0.791SS**  trans-79.3132.1179.730.9-33.6000111.3
16T40Very low37.8Very low116 Ų116125.9 Ų125.971%0.71278%0.782SS**  trans-146.693.1170.1-280000112.5
17I39Very low37.3Very low159 Ų159131.3 Ų131.382%0.81579%0.788SS**  trans51.6121.6132.3-59.5172.9000120.5
18A38.9Very low37.4Very low73 Ų73131.5 Ų131.560%0.60379%0.785SS**  trans76.7134.6145.700000122.5
19N38.1Very low37.5Very low168 Ų168131.1 Ų131.190%0.89878%0.784SS**  trans58.9143.3147.4-53.1-12.5000119
20G38.7Very low37.7Very low64 Ų64132.6 Ų132.666%0.6679%0.789SS**  cis152.8155.1-0.600000110.8
21S38.1Very low37.9Very low137 Ų137131.6 Ų131.696%0.95879%0.789SS**  trans71.5155178.9-51.40000116.6
22A36.4Very low38.7Very low92 Ų92128.5 Ų128.576%0.7678%0.783SS**  trans-132.5165.4179.700000110.1
23I36.1Very low38.8Very low166 Ų166131 Ų13185%0.85178%0.782SS**  trans-168.6149.7152.5-101.4147.9000109.1
24S34.2Very low39Very low111 Ų111134.1 Ų134.178%0.77678%0.781SS**  trans-110.3155.8-179.7-52.40000112
25I38.1Very low39.1Very low158 Ų158130 Ų13081%0.8177%0.772SS**  trans-176.4120.1152.7-92.2142.4000103.9
26D33.4Very low39.2Very low120 Ų120130.5 Ų130.564%0.64278%0.778SS**  cis91142.746.8-16855.8000113.6
27R38.6Very low39.1Very low218 Ų218129.9 Ų129.982%0.82378%0.778SS**  trans74.8157.8179.2-51.1-168.2-175.8175.4-0.1117.9
28H37.5Very low39.1Very low165 Ų165130.6 Ų130.676%0.76478%0.78SS**  cis-178.1-178-43.6-127.5-101.7000106.6
29I40.6Very low39Very low151 Ų151133.8 Ų133.877%0.77479%0.786SS**  trans76.8116172.6-50.4164.8000113.4
30S40.9Very low38.8Very low111 Ų111133.7 Ų133.778%0.77678%0.784SS**  cis100.2116.81585.50000116.6
31G40.7Very low38.6Very low78 Ų78134.4 Ų134.480%0.80479%0.792SS**  trans168117.5171.100000113.9
32P51.5Low38.5Very low127 Ų127132.4 Ų132.483%0.82578%0.783SS**  trans-124.8170.3-174.442.4-31.9000115.9
33M41.5Very low38.4Very low176 Ų176135.5 Ų135.587%0.86779%0.786SS**  trans-171.4125.1148.6-101170.9174.200108
34D40.8Very low38.6Very low144 Ų144133.3 Ų133.377%0.7778%0.781SS**  79.1138.178.7-105.6-37000114.1
35S40.9Very low39Very low85 Ų85133.9 Ų133.959%0.59478%0.782SS**  cis-151.8170-2.2-50.60000110.8
36S39.2Very low39Very low121 Ų121129.6 Ų129.685%0.84678%0.777SS**  trans68.2145.7155.2-62.70000119.5
37S39Very low39.2Very low103 Ų103134.9 Ų134.972%0.7279%0.789SS**  cis-160.3132.9-10.951.50000113.2
38M38.2Very low39.2Very low174 Ų174130.3 Ų130.386%0.85779%0.785SS**  trans62.3135.8144.3-70.2-167.1173.500124.2
39L37.2Very low39Very low141 Ų141132.2 Ų132.274%0.73879%0.786SS**  trans76.488.9141.5-71.1167.6000121.8
40I34.3Very low39Very low166 Ų166131 Ų13185%0.85179%0.788SS**  43.2107.7120.1-55.1176.4000117.7
41G34Very low38.7Very low79 Ų79129.7 Ų129.781%0.81478%0.775SS**  trans-160.4126.6156.700000109.4
42A35.3Very low38.5Very low95 Ų95133.5 Ų133.579%0.78578%0.776SS**  trans-97.9169.5-174.200000113.1
43L34.7Very low37.7Very low156 Ų156131.8 Ų131.882%0.81777%0.768SS**  trans97109.3166.5-53.7174.7000118.6
44T39.7Very low37.4Very low121 Ų121128.4 Ų128.474%0.74276%0.761SS**  trans51.8110.4137.857.70000120.9G46T44-G46 PolarHBondContact O-N 3.3Å
45P43.8Very low37.2Very low123 Ų123129.8 Ų129.880%0.79977%0.769SS**  trans-82.9101.3164.332.8-31.6000111.9
46G36.5Very low37.1Very low68 Ų68131.8 Ų131.870%0.70178%0.777SS**  trans-88.1113.9159.500000109.8T44 V48T44-G46 PolarHBondContact O-N 3.3Å; G46-V48 PolarHBondContact O-N 3.34Å
47Y38.9Very low37.1Very low230 Ų230134 Ų13490%0.90278%0.779SS**PPolyproline II helixtrans-79.8117-173.4-122.6-85.1000112.6
48V37.6Very low37.2Very low123 Ų123134.9 Ų134.975%0.74578%0.781SS**PPolyproline II helixtrans-95.2140176.2178.40000110.9G46G46-V48 PolarHBondContact O-N 3.34Å
49R33.3Very low37.2Very low204 Ų204129.4 Ų129.477%0.7777%0.769SS**PPolyproline II helixtrans-47.3132.8172.4176-168.9-167.2-163.56.2114.4T51R49-T51 HydrophobicContact CG-CG2 4.1Å
50P41.1Very low37.3Very low126 Ų126128.1 Ų128.182%0.81877%0.773SS**PPolyproline II helixtrans-80.2136.8151.5-8.226.1000110.6
51T33.8Very low37.5Very low83 Ų83125.1 Ų125.151%0.50977%0.766SS.*  trans-115.9141.9165.3480000108.9R49R49-T51 HydrophobicContact CG-CG2 4.1Å
52L37.3Very low37.9Very low158 Ų158128.6 Ų128.683%0.82776%0.764SS**  168.4142.7122.9-90156.6000113.4
53S35.3Very low38.1Very low92 Ų92129.2 Ų129.264%0.64376%0.76SS**  trans65.1106.6142-58.50000122.3
54S35.5Very low38.3Very low105 Ų105127.3 Ų127.373%0.73476%0.761SS**  64.5106.9115-51.10000120
55N36.5Very low38.1Very low173 Ų173126 Ų12693%0.92576%0.761SS**  trans-135.2119.7137.8-103-42.7000109.7
56V38.2Very low37.9Very low127 Ų127126.3 Ų126.377%0.7776%0.764SS**  trans-139.8127.7173.8176.70000106
57L38.3Very low37.8Very low168 Ų168127 Ų12788%0.8877%0.771SS**  trans168.5157139.3-89.7165.6000110.5
58P41.9Very low37.5Very low120 Ų120119.1 Ų119.178%0.77976%0.76SS**  trans-119.7175.3-17043.2-33.6000115.6
59G38.5Very low37.3Very low59 Ų59123.6 Ų123.661%0.60877%0.769SS**  trans-139.6126.9152.900000109.2
60S39Very low37.1Very low115 Ų115119 Ų11980%0.80477%0.769SS**  57.7115.693.8650000112.8
61S37.6Very low37.1Very low103 Ų103118.1 Ų118.172%0.7276%0.763SS**  cis-153.5143.640.1-71.30000110.5
62I42.2Very low37.1Very low151 Ų151121.6 Ų121.677%0.77477%0.773SS**  60.1127.875.4-62.9173.8000112.6
63P41.1Very low36.9Very low108 Ų108121.6 Ų121.670%0.70177%0.769SS**  cis-142.5179.6-14.141.5-22.5000117.4
64S37.2Very low36.6Very low117 Ų117121.8 Ų121.882%0.81877%0.77SS**  trans50.2145.6142-62.10000125.2
65A36.2Very low36.3Very low92 Ų92124.5 Ų124.576%0.7678%0.775SS**  trans-83.4172.916100000111.6
66P40.8Very low36.1Very low131 Ų131121 Ų12185%0.85177%0.771SS**  -137.9-179.674.138-21.3000114.4
67G33.1Very low35.9Very low82 Ų82124.4 Ų124.485%0.84577%0.771SS**  trans-91.8-174.7-176.400000115.5
68G32.4Very low36.1Very low65 Ų65122.1 Ų122.167%0.6777%0.766SS**  trans162.4119.4170.700000115.2
69F33.5Very low35.8Very low216 Ų216124.8 Ų124.895%0.94777%0.766SS**  trans59.1146.9149.1-67.6-87.3000123
70S29.7Very low35.9Very low109 Ų109127 Ų12776%0.76277%0.77SS**  trans-96.9-164.5172-46.20000109.9
71P41.1Very low35.9Very low106 Ų106129.5 Ų129.569%0.68877%0.768SS**  -122.5-158.1-64.931.5-13000111.6
72H32.8Very low35.9Very low157 Ų157128.8 Ų128.873%0.72776%0.763SS**  trans102134.9166.5-69.3-95.6000120.2
73H33.2Very low35.4Very low158 Ų158131.3 Ų131.373%0.73177%0.769SS**  trans71.9100.6142.4-78.3-134.9000122.4
74S30.2Very low35.1Very low96 Ų96131.2 Ų131.267%0.67177%0.771SS**  67.8132.3103.4-57.90000122.7
75L29.7Very low35.1Very low161 Ų161132 Ų13284%0.84377%0.77SS**  trans74.8115.7151.5-64.3164.3000120.3
76A32Very low35.1Very low101 Ų101130.6 Ų130.684%0.83577%0.765SS**  -161.3153.3127.100000112
77Y34.2Very low34.8Very low197 Ų197130 Ų13077%0.77376%0.759SS**  trans-99.1-171.3177.4-89.5-83.5000110.2
78P42.1Very low34.9Very low121 Ų121132.2 Ų132.279%0.78675%0.752SS**  cis-141-175.81338.3-15000119.1
79F34.2Very low34.9Very low176 Ų176136.9 Ų136.977%0.77276%0.756SS**  trans-70.2175.7170.4-84.1-97.6000114.4
80P41.9Very low34.7Very low106 Ų106131.7 Ų131.769%0.68875%0.746SS**  -146.9140.499.330.4-10.7000118.1
81H37.9Very low34.9Very low167 Ų167134.2 Ų134.277%0.77375%0.751SS**  trans50.1151.2133.2-54.9-47000122.6
82S37.6Very low34.5Very low88 Ų88136.5 Ų136.562%0.61575%0.752SS**  cis-168.3-170.7-10.5-93.10000107
83F33.2Very low34.7Very low203 Ų203134.2 Ų134.289%0.8975%0.751SS**  cis-142-145.111.7-124.4-58.2000111.5
84S34.5Very low34.5Very low106 Ų106130.3 Ų130.374%0.74175%0.746SS**  trans-162.7-169.6-157.3-162.60000117.1
85V36.5Very low34.8Very low133 Ų133132.7 Ų132.781%0.80675%0.75SS**  trans80.5137.9168.8-165.30000115.5
86G36.4Very low34.9Very low63 Ų63131.3 Ų131.365%0.64975%0.748SS**  cis147.1171.7-1.200000110.7
87T35.7Very low34.9Very low118 Ų118130 Ų13072%0.72474%0.744SS**  cis-175.8166.7-129.70000109.5
88N34.4Very low34.9Very low129 Ų129131.2 Ų131.269%0.6975%0.748SS**  trans72.5154.8162.5-64.4-29.8000119.5
89Q32.4Very low34.5Very low164 Ų164133 Ų13377%0.76675%0.745SS**  cis-169.5142.6-34.8-125.7-176.780.700111.8
90S29.6Very low34.2Very low106 Ų106133.8 Ų133.874%0.74175%0.749SS**  trans65171.3149.2-147.40000122.1
91L34.2Very low34Very low163 Ų163135 Ų13585%0.85376%0.757SS**  trans78102.3167.8-67145.6000119.9
92E31.2Very low33.5Very low154 Ų154134.1 Ų134.172%0.7276%0.758SS**  trans-65.1166.6141.4-123.3-138.2112.600109.8A94E92-A94 PolarHBondContact OE1-N 3.07Å
93P36.8Very low33.3Very low108 Ų108134.2 Ų134.270%0.70176%0.764SS**  cis-151.3153.148.441.3-19.9000120.8
94A30.1Very low33.2Very low76 Ų76129.4 Ų129.463%0.62876%0.756SS**  trans57.3-171.5135.300000122.3E92E92-A94 PolarHBondContact OE1-N 3.07Å
95I35.3Very low33.2Very low146 Ų146132.3 Ų132.375%0.74976%0.761SS**  trans82.489.8162-60170.3000118.3
96T33.5Very low33.1Very low132 Ų132131.5 Ų131.581%0.8175%0.752SS**  trans55.6121.8139.266.60000122.3
97G31.5Very low33.3Very low73 Ų73134.3 Ų134.375%0.75376%0.759SS**  117.9154.296.600000120.2
98R33.8Very low33.3Very low224 Ų224131.7 Ų131.785%0.84575%0.745SS**  trans74.7108.6164.1-67.7-172.2173.5-1512.2121.1
99Q33.5Very low33.3Very low157 Ų157135.8 Ų135.873%0.73475%0.753SS**  75.6124.8123.2-65.9172.1-58.100120.7
100F28.9Very low33.4Very low194 Ų194134.8 Ų134.885%0.85175%0.748SS**  trans-59.5162.7160-64.2-92.2000112
101P36.6Very low33.6Very low131 Ų131135 Ų13585%0.85174%0.74SS**  -12316599.236.4-34.5000114
102N27.9Very low33.6Very low149 Ų149133 Ų13380%0.79773%0.726SS**  trans-119.8121.7-176.5178.511.9000110.4
103A33.2Very low33.9Very low90 Ų90132 Ų13274%0.74472%0.722SS**  trans-154116.316400000107.2
104S31.3Very low33.8Very low102 Ų102136.3 Ų136.371%0.71373%0.73SS**  66.9108.660.1-168.70000113.2
105I35Very low34Very low166 Ų166139.6 Ų139.685%0.85173%0.732SS**  -158.7136121.1-96.5150.8000107.9
106N33Very low34.1Very low117 Ų117141.8 Ų141.863%0.62674%0.739SS**  trans-103.7169.9-178.8-158.123.4000109.4S108N106-S108 PolarHBondContact ND2-N 3.4Å; N106-S108 PolarHBondContact ND2-OG 3.14Å; N106-S108 VanDerWaalsContact ND2-OG 3.14Å
107P41.8Very low34.1Very low122 Ų122141 Ų14179%0.79274%0.739SS**  trans-10893.4136.431.5-30000110.3
108S35.2Very low34.3Very low63 Ų63141.7 Ų141.744%0.44174%0.738SS.*  trans-57.2160.4151-57.40000108.6N106N106-S108 PolarHBondContact ND2-N 3.4Å; N106-S108 PolarHBondContact ND2-OG 3.14Å; N106-S108 VanDerWaalsContact ND2-OG 3.14Å
109Y33.6Very low34.5Very low215 Ų215136.7 Ų136.784%0.84374%0.737SS**  -171.3163.360.7-84.9-92.5000108.2
110H35.3Very low34.8Very low142 Ų142136.3 Ų136.366%0.65774%0.735SS**  cis-178.4139.7-17.9170.4-99.4000110.1
111L34.1Very low35.1Very low110 Ų110132.8 Ų132.858%0.57673%0.732SS**  trans32.3129.7149.2-134.777.1000120.5
112Q34.9Very low35.1Very low123 Ų123133.1 Ų133.158%0.57573%0.726SS**  -151.5124.599.6-163.257.531.800110.8
113Q37.5Very low35.7Very low132 Ų132131.4 Ų131.462%0.61772%0.722SS**  trans-87.1154.2169.7-73.5-170.1-6.700111
114F34Very low36.1Very low199 Ų199133.9 Ų133.987%0.87372%0.723SS**  trans-135.9151.1134.3-122.9-85.3000110.4
115Q34.3Very low36.6Very low145 Ų145134.5 Ų134.568%0.67872%0.724SS**  trans-96.7142.4-166.5-60.8163.3-5.800112
116Q38.3Very low37.1Very low192 Ų192134.1 Ų134.190%0.89772%0.718SS**  trans-162.2119.9133.4-112.7144.3101.300112.9
117S32.9Very low37.9Very low114 Ų114134 Ų13480%0.79772%0.724SS**  trans-64.3163152.549.20000110.3
118A35.5Very low37.8Very low89 Ų89134.1 Ų134.174%0.73673%0.725SS**  cis-137.2-166.415.600000109.5
119S38.2Very low38.5Very low118 Ų118137.9 Ų137.983%0.82575%0.745SS**  cis-150.5-174.719.5-61.20000111.8
120Q39Very low39.2Very low149 Ų149133.9 Ų133.970%0.69675%0.745SS**  trans-136170.9168.6-140.6-167.28200108.6
121P36.5Very low39.2Very low121 Ų121138.6 Ų138.679%0.78676%0.759SS**  -143.9164.973.637.2-18.6000116.6
122L35.8Very low39.3Very low138 Ų138136.3 Ų136.372%0.72376%0.762SS**  trans-90.5175.4168.9-87.9168000111.7
123P40.9Very low39.4Very low112 Ų112139.4 Ų139.473%0.72778%0.777SS**PPolyproline II helixtrans-97167.9-141.638.3-39.4000116.9
124L40.6Very low39.2Very low143 Ų143137.5 Ų137.575%0.74978%0.778SS**PPolyproline II helixtrans-83.5134.7170.7-71.7168.2000112.4
125P41.5Very low39.2Very low115 Ų115135.7 Ų135.775%0.74778%0.776SS**PPolyproline II helixtrans-90.9148.4162.835.2-31.4000111.5
126H47Very low39.2Very low157 Ų157133 Ų13373%0.72777%0.773SS**  trans-128.2153.9176.1-67.5-47.9000111.5
127P48.8Very low38.9Very low114 Ų114133.1 Ų133.174%0.7477%0.767SS**PPolyproline II helixtrans-91163.9-147.934.9-37.8000115.6
128P39.7Very low39.1Very low125 Ų125135.4 Ų135.481%0.81277%0.769SS**PPolyproline II helixtrans-73.7143.6172.131.7-35.2000112.3
129V50.3Low39.1Very low142 Ų142135.2 Ų135.286%0.86177%0.768SS**PPolyproline II helixtrans-96.9135.2171.8-87.20000111.4
130P47.7Very low39.2Very low131 Ų131135.2 Ų135.285%0.85177%0.765SS**PPolyproline II helixtrans-86.4169.2-173.535.2-37000114.3
131Y35.6Very low39Very low241 Ų241133.2 Ų133.295%0.94577%0.767SS**  trans-113.3130.4-173.5-136-91.6000111.8
132G35.7Very low38.8Very low63 Ų63135 Ų13565%0.64977%0.77SS**  trans89.5120148.600000120.4
133Q37.9Very low38.7Very low188 Ų188134.3 Ų134.388%0.87977%0.771SS**  trans171.8109.9143.4-96.3168.855.800105.9
134S32.2Very low38.4Very low91 Ų91135 Ų13564%0.63677%0.773SS**  94.3139.357.168.20000112.8
135L34.3Very low38.2Very low161 Ų161132.1 Ų132.184%0.84377%0.77SS**  trans76.9141.8179.8-50.2174.8000114.2
136S34.8Very low38.1Very low88 Ų88135.8 Ų135.862%0.61578%0.78SS**  cis-160.6140.3-2.8-108.20000114.6
137Y31.5Very low37.5Very low196 Ų196131.6 Ų131.677%0.76978%0.779SS**  trans57.7129.4137.9-78.8-108.3000124.6
138L37Very low36.8Very low161 Ų161134.6 Ų134.684%0.84379%0.789SS**  trans70.6152.8148.3-58.2164.5000119.1
139A37Very low36.6Very low85 Ų85132.5 Ų132.570%0.70279%0.79SS**  cis-165.3159.9-25.500000110
140P39.3Very low35.7Very low118 Ų118132.9 Ų132.977%0.76679%0.787SS**  trans-112.4163.3-172.740.3-33.6000117.4
141S35.6Very low35Very low107 Ų107134.2 Ų134.275%0.74879%0.786SS**  trans74.4138.7157-58.50000121
142L32.4Very low35Very low159 Ų159126.7 Ų126.783%0.83278%0.782SS**  162137115.8-84.9168.3000114.6
143V33.9Very low34.8Very low124 Ų124131.9 Ų131.975%0.75279%0.788SS**  trans66.6154.5140.1174.20000117.6
144T34.4Very low34.7Very low125 Ų125130.2 Ų130.277%0.76778%0.784SS**  cis-141.3141.710.31.50000107.3
145A35.7Very low34.7Very low83 Ų83132.8 Ų132.869%0.68679%0.786SS**  93.2150.160.700000116.4
146M38.9Very low34.7Very low193 Ų193132.8 Ų132.895%0.95178%0.782SS**  trans70.1148178.3-47.2-162.2-60.600116.9
147G35.5Very low34.7Very low69 Ų69132.9 Ų132.971%0.71178%0.779SS**  cis171.7149.2-9.600000113.6
148N32.9Very low34.8Very low176 Ų176133.9 Ų133.994%0.94178%0.782SS**  trans25.4128.3161.6-58.3-8.4000121.9
149G36.3Very low34.8Very low81 Ų81130.1 Ų130.184%0.83577%0.774SS**  trans-169.4140.4160.800000112.8
150N32.3Very low34.6Very low150 Ų150132.9 Ų132.980%0.80278%0.778SS**  trans-148.5166.6-174.7-16710.5000111.2
151L32.7Very low34.5Very low160 Ų160133 Ų13384%0.83878%0.776SS**  trans66.4150.3-178.7-81.663.6000115.7
152G34.6Very low34.9Very low82 Ų82133.4 Ų133.485%0.84578%0.776SS**  trans164.942.3176.200000117.3
153H32.7Very low35Very low172 Ų172130.6 Ų130.680%0.79677%0.769SS**  trans-54.2144.3175.7-155.675000113.4
154I34.9Very low35.2Very low153 Ų153133 Ų13379%0.78577%0.772SS**  trans170.5100.8133.7-85152.4000112.5
155H32.1Very low35.2Very low146 Ų146132.8 Ų132.868%0.67677%0.771SS**  47.5153.1118.5-136.2-123.9000124.8
156Q35.6Very low35.5Very low161 Ų161133.5 Ų133.575%0.75277%0.769SS**  trans87.9141.2160.1-60.9-158.338.800120.6
157T33.5Very low35.5Very low90 Ų90133.3 Ų133.355%0.55277%0.768SS**  cis-168.4178.4-459.20000109.9
158Y33.5Very low35.3Very low216 Ų216134.4 Ų134.485%0.84777%0.77SS**  trans78.4135.3165.9-64.4-79000117.1
159A38.2Very low35.6Very low82 Ų82132.9 Ų132.968%0.67877%0.767SS**  cis-159.9150-12.200000113.2
160N31.9Very low35.4Very low144 Ų144135.1 Ų135.177%0.7776%0.76SS**  trans40.3145.1132.1-112.9-2.5000121.3
161V37.8Very low35.4Very low121 Ų121135.5 Ų135.573%0.73376%0.759SS**  cis-149140.225.1-175.20000111.5
162P42.9Very low35.6Very low114 Ų114133.9 Ų133.974%0.7476%0.756SS**  trans-111.3140.6169.236.8-28000114.7
163S35Very low35.6Very low100 Ų100133.7 Ų133.770%0.69975%0.746SS**  trans-172.4141.2-178.6173.50000109.3
164Q37.7Very low35.7Very low174 Ų174133.6 Ų133.681%0.81375%0.746SS**  cis-150.5-143.1-2.1-130.4171.4107.600111.8
165T34.5Very low35.7Very low121 Ų121131 Ų13174%0.74274%0.741SS**  trans-143.9-168.5-172.363.50000110
166P43.4Very low35.9Very low99 Ų99134.6 Ų134.664%0.64375%0.748SS**  cis-129.1-176.3-30.727.9-6.8000112.7
167M36.9Very low35.9Very low188 Ų188133.2 Ų133.293%0.92675%0.751SS**  157.5150.1125.4-83.3-60.1-166.600112.8
168A33Very low36.1Very low92 Ų92137.8 Ų137.876%0.7676%0.763SS**  trans-124.8153-16000000115.9
169V37.6Very low36.2Very low145 Ų145133.7 Ų133.788%0.87976%0.756SS**  trans-173.7151.2146.2-91.10000109.5
170N32.1Very low36.1Very low128 Ų128133.9 Ų133.968%0.68475%0.752SS**  cis-167.3162.4-27.2-164.25.2000110.7
171M34.1Very low36.3Very low157 Ų157134 Ų13477%0.77375%0.752SS**  trans81.267.4156.5-59.6-126174.400123.9
172T35.4Very low36.1Very low126 Ų126136.5 Ų136.577%0.77375%0.753SS**  61.5125.497.1-51.90000125.5
173A34.5Very low35.9Very low79 Ų79139.7 Ų139.765%0.65376%0.758SS**  trans78.4159.8141.900000124.6
174H35.1Very low35.7Very low170 Ų170144.5 Ų144.579%0.78777%0.767SS**  cis-177.6125.9-39.5-94.6-52000113.8
175C34.3Very low35.2Very low99 Ų99139.5 Ų139.567%0.66976%0.762SS**  trans43-167.7143.2-49.10000122.2
176R36.8Very low35.2Very low220 Ų220139.6 Ų139.683%0.8377%0.767SS**  cis-149.51461.2-76.3-169.4177.4-158.2-2.1113.4
177T36Very low34.9Very low132 Ų132141.5 Ų141.581%0.8178%0.777SS**  trans66.2157.2136.6-48.10000125.7
178F37.4Very low34.9Very low187 Ų187138 Ų13882%0.8277%0.768SS**  trans-63.1-178.2179.1-90.1-123000116.3
179D35.4Very low35Very low129 Ų129142.6 Ų142.669%0.6977%0.774SS**  cis-164.717835.9-151.6-82.9000115.9
180S36.6Very low34.9Very low86 Ų86141.8 Ų141.860%0.60177%0.769SS**  trans88.2100.3142.2-86.70000125.3
181L36.4Very low35.3Very low148 Ų148144.8 Ų144.878%0.77578%0.779SS**  77.8141.4115.9-96.9158.3000123.7
182K33.7Very low35.5Very low173 Ų173146 Ų14675%0.75278%0.783SS**  trans72.693.6163-56.9170.5-172.51750119
183H38.3Very low35.5Very low180 Ų180143.5 Ų143.583%0.83378%0.782SS**  -167.8166.4102-103.281.1000113.3
184F29.9Very low36Very low202 Ų202151.4 Ų151.489%0.88680%0.795SS**  trans-72.7144.8-167.3-75.9-108.2000115.2
185G29.1Very low36.5Very low69 Ų69153.5 Ų153.571%0.71180%0.796SS**  trans101.597.1135.900000118.9
186S34.2Very low37Very low122 Ų122156.2 Ų156.285%0.85380%0.804SS**  trans-179.9144.5131-82.80000111.3
187V36.5Very low38Very low140 Ų140152 Ų15285%0.84879%0.791SS**PPolyproline II helixtrans-89.4123.5-178-179.50000110.7
188P36.6Very low39Very low115 Ų115147.9 Ų147.975%0.74777%0.768SS**PPolyproline II helixtrans-73.5130.8169.5-14.230.1000111.1
189Q36.2Very low40.1Very low188 Ų188145 Ų14588%0.87977%0.766SS**PPolyproline II helixtrans-64.2135174.2-74.6-179.5-29.400111.6Q191Q189-Q191 PolarHBondContact O-N 3.39Å
190T35.4Very low42.2Very low127 Ų127143.3 Ų143.378%0.77976%0.76SS**  trans-71.1110171.640.60000110.7H192T190-H192 PolarHBondContact O-N 2.9Å
191Q40.6Very low44.4Very low191 Ų191142.2 Ų142.289%0.89375%0.75SS**  trans-67.3119.9171.7-66.3-168.87.100110Q189 G193Q189-Q191 PolarHBondContact O-N 3.39Å; Q191-G193 PolarHBondContact O-N 3.03Å
192H38.3Very low46.6Very low184 Ų184135.4 Ų135.485%0.85271%0.714SS**  trans-66.6105.7177.6-83.1-64.2000111.4T190 R194T190-H192 PolarHBondContact O-N 2.9Å; H192-R194 PolarHBondContact O-N 2.98Å
193G34.2Very low49.2Very low73 Ų73133 Ų13375%0.75370%0.704SS**  trans-56.612517500000112.4Q191 R195Q191-G193 PolarHBondContact O-N 3.03Å; G193-R195 VanDerWaalsContact C-N 3.33Å; G193-R195 PolarHBondContact O-N 3.21Å
194R44.9Very low51.7Low244 Ų244126.3 Ų126.392%0.92168%0.676SS**  trans-68.187.9172.4-70-174.6178.9-171.12.1109.7H192 N196H192-R194 PolarHBondContact O-N 2.98Å; R194-N196 PolarHBondContact O-N 2.97Å
195R46.1Very low54.7Low215 Ų215118.7 Ų118.781%0.81164%0.644SS**PPolyproline II helixtrans-57131.4174.8-172.1178.8-68-177.6-3110G193 K197G193-R195 VanDerWaalsContact C-N 3.33Å; G193-R195 PolarHBondContact O-N 3.21Å; R195-K197 PolarHBondContact O-N 3.21Å
196N45.1Very low57.8Low156 Ų156115.4 Ų115.483%0.83461%0.611SS**PPolyproline II helixtrans-50.1131.6-175.2-73.8-9.9000112.5R194R194-N196 PolarHBondContact O-N 2.97Å
197K57Low60.6Low131 Ų131113 Ų11357%0.5758%0.583SS**PPolyproline II helixtrans-69151.1162.5-172.983.5175.8-179.30107.9R195 T199 Y280R195-K197 PolarHBondContact O-N 3.21Å; K197-T199 PolarHBondContact O-N 2.96Å; K197-T199 VanDerWaalsContact O-N 3.12Å; K197-Y280 HydrophobicContact CG-CD1 4.19Å; K197-Y280 HydrophobicContact CG-CE1 4.37Å; K197-Y280 HydrophobicContact CG-CG 4.37Å
198S56.2Low63.3Low46 Ų46106.4 Ų106.432%0.32254%0.543SS..PPolyproline II helixtrans-55.5119.4160.345.90000108.2V200 Y280 E281S198-V200 VanDerWaalsContact C-N 3.28Å; S198-Y280 WeakPolarHBondContact O-CD1 3.26Å; S198-E281 PolarHBondContact OG-O 3.05Å
199T61.9Low65.9Low125 Ų125102.2 Ų102.277%0.76752%0.517SS*.  trans-78.1-18.2-178.2440000112.3K197 T201K197-T199 PolarHBondContact O-N 2.96Å; K197-T199 VanDerWaalsContact O-N 3.12Å; T199-T201 PolarHBondContact O-N 3.23Å
200V78.4Confident68.5Low95 Ų9595.1 Ų95.158%0.57649%0.494SS*.PPolyproline II helixtrans-68.2117.7176.9-174.10000110.2S198 E281S198-V200 VanDerWaalsContact C-N 3.28Å; V200-E281 PolarHBondContact O-N 3.32Å; V200-E281 VanDerWaalsContact O-N 3.09Å
201T83.4Confident71Confident63 Ų6389.7 Ų89.739%0.38746%0.46SS..EExtended strand (participates in β ladder)trans-96.3138.9166.651.50000109.1T199 A279 Y280T199-T201 PolarHBondContact O-N 3.23Å; T201-A279 CarbonylContact C-O 3.52Å; T201-A279 VanDerWaalsContact CA-O 3.24Å; T201-A279 WeakPolarHBondContact CA-O 3.47Å; T201-A279 WeakPolarHBondContact CB-O 3.45Å; T201-Y280 HydrophobicContact CG2-CD1 3.77Å; T201-Y280 HydrophobicContact CG2-CE1 3.77Å; T201-Y280 HydrophobicContact CG2-CG 4.41Å
202S83.6Confident73.3Confident4 Ų483 Ų833%0.02843%0.434CS..EExtended strand (participates in β ladder)trans-75.2135.9179.563.50000110.8T204 N205 A279S202-T204 PolarHBondContact O-N 3.46Å; S202-N205 WeakPolarHBondContact CB-ND2 3.28Å; S202-N205 VanDerWaalsContact OG-CB 3.26Å; S202-N205 WeakPolarHBondContact OG-CB 3.42Å; S202-N205 PolarHBondContact OG-N 3.45Å; S202-N205 PolarHBondContact OG-ND2 3.43Å; S202-N205 VanDerWaalsContact OG-ND2 3.09Å; S202-N205 PolarHBondContact OG-O 3.44Å; S202-A279 PolarHBondContact N-O 3.02Å; S202-A279 PolarHBondContact OG-O 2.96Å
203K87.1Confident75.6Confident123 Ų12379.7 Ų79.754%0.53542%0.419SS..EExtended strand (participates in β ladder)trans-60.4-38.3178.1-70.2169.4152.5-76.40113.7E253 A256 Y278K203-E253 HydrophobicContact CB-CB 4.36Å; K203-E253 HydrophobicContact CB-CG 4.02Å; K203-E253 VanDerWaalsContact CD-OE2 3.29Å; K203-E253 WeakPolarHBondContact CD-OE2 3.15Å; K203-E253 WeakPolarHBondContact CE-OE2 3.31Å; K203-E253 WeakPolarHBondContact CG-OE1 3.32Å; K203-E253 IonicContact NZ-OE1 3.17Å; K203-E253 PolarHBondContact NZ-OE1 2.95Å; K203-E253 IonicContact NZ-OE2 2.81Å; K203-E253 PolarHBondContact NZ-OE2 3.06Å; K203-A256 WeakPolarHBondContact O-CB 3.22Å; K203-Y278 WeakPolarHBondContact O-CE1 3.2Å
204T91.4Very high78.1Confident39 Ų3980.5 Ų80.524%0.23941%0.414CS..EExtended strand (participates in β ladder)trans-104-19.8-170.9680000115.4S202 C250S202-T204 PolarHBondContact O-N 3.46Å; T204-C250 VanDerWaalsContact O-CB 3.27Å; T204-C250 WeakPolarHBondContact O-CB 3.3Å; T204-C250 PolarHBondContact O-N 2.92Å
205N92.6Very high80.1Confident43 Ų4369.4 Ų69.423%0.2337%0.372CS..EExtended strand (participates in β ladder)trans-95128.4177.8-44.1-87.7000110.8S202 I248 D249 A279S202-N205 WeakPolarHBondContact CB-ND2 3.28Å; S202-N205 VanDerWaalsContact OG-CB 3.26Å; S202-N205 WeakPolarHBondContact OG-CB 3.42Å; S202-N205 PolarHBondContact OG-N 3.45Å; S202-N205 PolarHBondContact OG-ND2 3.43Å; S202-N205 VanDerWaalsContact OG-ND2 3.09Å; S202-N205 PolarHBondContact OG-O 3.44Å; N205-I248 CarbonylContact C-O 3.55Å; N205-I248 WeakPolarHBondContact CA-O 3Å; N205-D249 WeakPolarHBondContact OD1-CB 3.48Å; N205-D249 PolarHBondContact OD1-OD1 3.3Å; N205-A279 HydrophobicContact CB-CB 4.07Å; N205-A279 PolarHBondContact O-N 2.82Å
206L94Very high82.2Confident0 Ų062.2 Ų62.20%035%0.352CS..EExtended strand (participates in β ladder)trans-100.8141.5173.6-57.2174.7000110.1F247 I248 A256 A259 K260 V276 K277 Y278L206-F247 CarbonylContact O-C 3.54Å; L206-F247 VanDerWaalsContact O-CA 3.28Å; L206-F247 WeakPolarHBondContact O-CA 3.15Å; L206-I248 HydrophobicContact CB-CB 4.36Å; L206-I248 PolarHBondContact N-O 2.89Å; L206-I248 PolarHBondContact O-N 3.32Å; L206-A256 WeakPolarHBondContact CD1-O 3.46Å; L206-A256 HydrophobicContact CD2-CB 4.16Å; L206-A256 HydrophobicContact CG-CB 4.29Å; L206-A259 HydrophobicContact CD1-CB 3.81Å; L206-K260 HydrophobicContact CD1-CB 4.11Å; L206-K260 HydrophobicContact CD2-CB 4.12Å; L206-V276 HydrophobicContact CB-CG1 3.93Å; L206-V276 HydrophobicContact CD1-CG1 4.1Å; L206-V276 HydrophobicContact CD2-CG1 4.15Å; L206-V276 HydrophobicContact CG-CG1 4.29Å; L206-K277 CarbonylContact C-O 3.49Å; L206-K277 WeakPolarHBondContact CA-O 3.06Å; L206-Y278 HydrophobicContact CD2-CD1 3.95Å; L206-Y278 HydrophobicContact CD2-CE1 4.11Å
207Y93.9Very high84.3Confident72 Ų7256.9 Ų56.928%0.28232%0.324SS..EExtended strand (participates in β ladder)trans-102.7120.8164.8172.1-102.9000108.9S245 G246 F247 V276 K277Y207-S245 WeakPolarHBondContact OH-CB 3.4Å; Y207-G246 WeakPolarHBondContact CD2-O 3.08Å; Y207-F247 HydrophobicContact CD2-CD1 4.09Å; Y207-F247 AromaticContact CD2-CE1 3.59Å; Y207-F247 HydrophobicContact CD2-CE1 3.59Å; Y207-F247 HydrophobicContact CD2-CE2 4.17Å; Y207-F247 AromaticContact CD2-CZ 3.63Å; Y207-F247 HydrophobicContact CD2-CZ 3.63Å; Y207-F247 HydrophobicContact CE2-CE1 4.45Å; Y207-F247 HydrophobicContact CE2-CE2 4.42Å; Y207-F247 HydrophobicContact CE2-CZ 4.06Å; Y207-F247 HydrophobicContact CG-CE1 4.35Å; Y207-V276 WeakPolarHBondContact O-CA 3.35Å; Y207-K277 PolarHBondContact N-O 3.21Å; Y207-K277 PolarHBondContact O-N 3Å
208I92.9Very high85.9Confident0 Ų054.5 Ų54.50%032%0.318CS..EExtended strand (participates in β ladder)trans-102.8140.6175.3-178.1171.2000109.7L211 V220 L223 S245 G246 I248 I263 L274 V276I208-L211 HydrophobicContact CD1-CD2 3.93Å; I208-L211 HydrophobicContact CD1-CG 4.43Å; I208-L211 HydrophobicContact CG1-CD2 4.4Å; I208-L211 HydrophobicContact CG1-CG 4.38Å; I208-L211 HydrophobicContact CG2-CD1 4.2Å; I208-V220 HydrophobicContact CG2-CG1 4.36Å; I208-L223 HydrophobicContact CD1-CD1 4.15Å; I208-S245 CarbonylContact O-C 3.59Å; I208-S245 WeakPolarHBondContact O-CA 3.28Å; I208-S245 WeakPolarHBondContact O-CB 3.4Å; I208-G246 WeakPolarHBondContact CG2-O 3.33Å; I208-G246 PolarHBondContact N-O 2.62Å; I208-G246 PolarHBondContact O-N 2.89Å; I208-I248 HydrophobicContact CG2-CD1 4.46Å; I208-I263 HydrophobicContact CD1-CD1 4.44Å; I208-I263 HydrophobicContact CD1-CG2 3.73Å; I208-I263 HydrophobicContact CG1-CG2 4.46Å; I208-L274 HydrophobicContact CD1-CD2 4.46Å; I208-V276 HydrophobicContact CB-CG2 4.14Å; I208-V276 HydrophobicContact CD1-CG2 4.39Å; I208-V276 HydrophobicContact CG1-CG2 4.01Å
209S91.7Very high87.5Confident28 Ų2854.7 Ų54.720%0.19632%0.317CS..EExtended strand (participates in β ladder)trans-140.6157.417955.70000110.9G244 L274 S275S209-G244 CarbonylContact C-O 3.55Å; S209-G244 WeakPolarHBondContact CA-O 3.49Å; S209-L274 CarbonylContact O-C 3.52Å; S209-L274 VanDerWaalsContact O-CA 3.3Å; S209-L274 WeakPolarHBondContact O-CA 3.16Å; S209-S275 PolarHBondContact N-O 2.96Å; S209-S275 PolarHBondContact O-N 3.1Å; S209-S275 PolarHBondContact OG-O 3.32Å
210G89.1Confident88.9Confident39 Ų3948.7 Ų48.740%0.40228%0.28SS..  trans89.212.1-172.900000114.4G244 L274G210-G244 PolarHBondContact N-O 2.85Å; G210-L274 WeakPolarHBondContact O-CD2 3.16Å
211L89.7Confident89.5Confident12 Ų1248 Ų486%0.06327%0.267CS..  trans-64.1158.6170.4-64.7172.5000110.7I208 D215 V220 L223 G244 L274I208-L211 HydrophobicContact CD1-CD2 3.93Å; I208-L211 HydrophobicContact CD1-CG 4.43Å; I208-L211 HydrophobicContact CG1-CD2 4.4Å; I208-L211 HydrophobicContact CG1-CG 4.38Å; I208-L211 HydrophobicContact CG2-CD1 4.2Å; L211-D215 HydrophobicContact CB-CB 3.95Å; L211-D215 HydrophobicContact CD2-CB 4.16Å; L211-D215 HydrophobicContact CG-CB 4.45Å; L211-V220 HydrophobicContact CD1-CG2 3.48Å; L211-V220 VanDerWaalsContact CD1-CG2 3.48Å; L211-V220 HydrophobicContact CD2-CG2 4.17Å; L211-L223 HydrophobicContact CD2-CD1 4.04Å; L211-G244 PolarHBondContact N-O 3.12Å; L211-G244 VanDerWaalsContact N-O 3.12Å; L211-G244 WeakPolarHBondContact O-CA 3.31Å; L211-L274 HydrophobicContact CD2-CD2 3.92Å; L211-L274 HydrophobicContact CG-CD2 4.48Å
212S87.8Confident89.9Confident51 Ų5148.3 Ų48.336%0.35727%0.271SS..  trans-70.9160169.9-176.50000111.5S214 D215 C242S212-S214 WeakPolarHBondContact CB-OG 3.38Å; S212-S214 PolarHBondContact O-N 2.9Å; S212-S214 PolarHBondContact OG-N 3.43Å; S212-S214 PolarHBondContact OG-OG 3.44Å; S212-D215 WeakPolarHBondContact CB-OD2 3.24Å; S212-D215 PolarHBondContact N-OD2 2.89Å; S212-D215 PolarHBondContact O-N 2.87Å; S212-C242 WeakPolarHBondContact O-CB 3.45Å
213E86.4Confident90.1Very high115 Ų11548.9 Ų48.954%0.53727%0.274SS..THydrogen-bonded Turntrans-61.5-21.4165.4-64.8-163.9169.100112.6R241 C242E213-R241 VanDerWaalsContact CD-NH1 3.29Å; E213-R241 IonicContact OE1-NH1 2.66Å; E213-R241 PolarHBondContact OE1-NH1 3.35Å; E213-R241 WeakPolarHBondContact OE2-CD 3.17Å; E213-R241 IonicContact OE2-CZ 3.6Å; E213-R241 IonicContact OE2-NE 3.74Å; E213-R241 IonicContact OE2-NH1 2.67Å; E213-R241 PolarHBondContact OE2-NH1 3.08Å; E213-C242 WeakPolarHBondContact O-CB 3.43Å; E213-C242 PolarHBondContact O-N 3.28Å
214S86.2Confident90.3Very high90 Ų9043 Ų4363%0.62925%0.249SC*.THydrogen-bonded Turntrans-90.8-6.4178.566.40000115S212S212-S214 WeakPolarHBondContact CB-OG 3.38Å; S212-S214 PolarHBondContact O-N 2.9Å; S212-S214 PolarHBondContact OG-N 3.43Å; S212-S214 PolarHBondContact OG-OG 3.44Å
215D88.3Confident90.2Very high10 Ų1046 Ų465%0.05326%0.26CS..  trans-76.3134.5178.6-85.1-56.4000110.6L211 S212 T219 C242 R272L211-D215 HydrophobicContact CB-CB 3.95Å; L211-D215 HydrophobicContact CD2-CB 4.16Å; L211-D215 HydrophobicContact CG-CB 4.45Å; S212-D215 WeakPolarHBondContact CB-OD2 3.24Å; S212-D215 PolarHBondContact N-OD2 2.89Å; S212-D215 PolarHBondContact O-N 2.87Å; D215-T219 WeakPolarHBondContact CA-OG1 3.43Å; D215-T219 WeakPolarHBondContact CB-OG1 3.33Å; D215-T219 WeakPolarHBondContact OD1-CB 3.42Å; D215-T219 PolarHBondContact OD1-OG1 2.62Å; D215-C242 WeakPolarHBondContact O-CB 3.31Å; D215-R272 IonicContact OD1-NH1 2.67Å; D215-R272 PolarHBondContact OD1-NH1 3.12Å; D215-R272 IonicContact OD2-NH1 2.64Å; D215-R272 PolarHBondContact OD2-NH1 3.41Å
216T89.6Confident89.9Confident64 Ų6450.3 Ų50.339%0.39328%0.283SS..  trans-109.7177.4-173.866.90000112D218 T219 V220T216-D218 PolarHBondContact O-N 3.26Å; T216-D218 PolarHBondContact OG1-N 3.44Å; T216-T219 PolarHBondContact N-OG1 3.25Å; T216-T219 PolarHBondContact O-N 2.86Å; T216-T219 PolarHBondContact O-OG1 3.32Å; T216-T219 PolarHBondContact OG1-N 3.48Å; T216-V220 WeakPolarHBondContact O-CG2 3.34Å; T216-V220 PolarHBondContact O-N 3.14Å; T216-V220 VanDerWaalsContact O-N 3.12Å
217D90.1Very high89.7Confident44 Ų4454 Ų5424%0.23530%0.302CS..Hα-helixtrans-54.3-32.9170.5-65.3-32.6000112.1R221 K234 A235D217-R221 PolarHBondContact O-N 3.44Å; D217-R221 VanDerWaalsContact O-N 3.15Å; D217-K234 WeakPolarHBondContact OD1-CA 3.35Å; D217-K234 WeakPolarHBondContact OD1-CD 3.3Å; D217-K234 VanDerWaalsContact OD1-CE 3.31Å; D217-K234 WeakPolarHBondContact OD1-CE 3.11Å; D217-K234 IonicContact OD1-NZ 2.91Å; D217-K234 PolarHBondContact OD1-NZ 2.9Å; D217-K234 IonicContact OD2-NZ 3.04Å; D217-K234 PolarHBondContact OD2-NZ 3.48Å; D217-A235 PolarHBondContact OD1-N 3.28Å
218D89.9Confident89.5Confident82 Ų8250.9 Ų50.944%0.43929%0.29SS..Hα-helixtrans-84.5-36.3-175.6-53-69.2000112.1T216 V220 R221 S222T216-D218 PolarHBondContact O-N 3.26Å; T216-D218 PolarHBondContact OG1-N 3.44Å; D218-V220 VanDerWaalsContact C-N 3.25Å; D218-V220 PolarHBondContact O-N 3.34Å; D218-R221 WeakPolarHBondContact O-CA 3.46Å; D218-R221 WeakPolarHBondContact O-CB 3.25Å; D218-R221 PolarHBondContact O-N 3.04Å; D218-R221 IonicContact OD1-CZ 2.72Å; D218-R221 VanDerWaalsContact OD1-CZ 3.27Å; D218-R221 IonicContact OD1-NH1 2.62Å; D218-R221 PolarHBondContact OD1-NH1 2.92Å; D218-R221 IonicContact OD1-NH2 3.94Å; D218-R221 PolarHBondContact OD1-NH2 3.43Å; D218-S222 PolarHBondContact O-N 3.28Å; D218-S222 PolarHBondContact O-OG 3.03Å
219T89.8Confident89.3Confident49 Ų4959.1 Ų59.130%0.30133%0.329SS..Hα-helixtrans-65.4-32.917071.80000111.5D215 T216 R221 S222 L223D215-T219 WeakPolarHBondContact CA-OG1 3.43Å; D215-T219 WeakPolarHBondContact CB-OG1 3.33Å; D215-T219 WeakPolarHBondContact OD1-CB 3.42Å; D215-T219 PolarHBondContact OD1-OG1 2.62Å; T216-T219 PolarHBondContact N-OG1 3.25Å; T216-T219 PolarHBondContact O-N 2.86Å; T216-T219 PolarHBondContact O-OG1 3.32Å; T216-T219 PolarHBondContact OG1-N 3.48Å; T219-R221 VanDerWaalsContact C-N 3.3Å; T219-R221 PolarHBondContact O-N 2.86Å; T219-S222 PolarHBondContact O-N 3.38Å; T219-L223 WeakPolarHBondContact O-CG 3.32Å; T219-L223 PolarHBondContact O-N 2.91Å; T219-L223 VanDerWaalsContact O-N 3.13Å
220V90.7Very high89.2Confident0 Ų058.7 Ų58.70%033%0.326CS..Hα-helixtrans-68-26.8171.1175.80000112.4I208 L211 T216 D218 C233 A235 I248I208-V220 HydrophobicContact CG2-CG1 4.36Å; L211-V220 HydrophobicContact CD1-CG2 3.48Å; L211-V220 VanDerWaalsContact CD1-CG2 3.48Å; L211-V220 HydrophobicContact CD2-CG2 4.17Å; T216-V220 WeakPolarHBondContact O-CG2 3.34Å; T216-V220 PolarHBondContact O-N 3.14Å; T216-V220 VanDerWaalsContact O-N 3.12Å; D218-V220 VanDerWaalsContact C-N 3.25Å; D218-V220 PolarHBondContact O-N 3.34Å; V220-C233 HydrophobicContact CG1-CB 4.07Å; V220-A235 HydrophobicContact CG2-CB 4.32Å; V220-I248 HydrophobicContact CG1-CD1 3.98Å; V220-I248 HydrophobicContact CG1-CG1 3.75Å
221R92.1Very high89Confident81 Ų8162.8 Ų62.831%0.30633%0.332SS..Hα-helixtrans-73.9-51.7170.4-165.3-175.1-54.1103.115.8111.2D217 D218 T219 L223 V224 E225 P230 C233D217-R221 PolarHBondContact O-N 3.44Å; D217-R221 VanDerWaalsContact O-N 3.15Å; D218-R221 WeakPolarHBondContact O-CA 3.46Å; D218-R221 WeakPolarHBondContact O-CB 3.25Å; D218-R221 PolarHBondContact O-N 3.04Å; D218-R221 IonicContact OD1-CZ 2.72Å; D218-R221 VanDerWaalsContact OD1-CZ 3.27Å; D218-R221 IonicContact OD1-NH1 2.62Å; D218-R221 PolarHBondContact OD1-NH1 2.92Å; D218-R221 IonicContact OD1-NH2 3.94Å; D218-R221 PolarHBondContact OD1-NH2 3.43Å; T219-R221 VanDerWaalsContact C-N 3.3Å; T219-R221 PolarHBondContact O-N 2.86Å; R221-L223 PolarHBondContact O-N 3.46Å; R221-L223 VanDerWaalsContact O-N 3.08Å; R221-V224 VanDerWaalsContact O-CG2 3.27Å; R221-V224 WeakPolarHBondContact O-CG2 3.31Å; R221-V224 PolarHBondContact O-N 2.73Å; R221-E225 WeakPolarHBondContact CD-OE1 3.25Å; R221-E225 HydrophobicContact CG-CB 4.39Å; R221-E225 WeakPolarHBondContact O-CB 3.47Å; R221-E225 PolarHBondContact O-N 2.84Å; R221-P230 HydrophobicContact CG-CG 4.13Å; R221-C233 HydrophobicContact CB-CB 4.14Å
222S90.5Very high88.9Confident68 Ų6863.6 Ų63.648%0.47634%0.339SS..Hα-helixtrans-61.7-20.6-178.3-52.60000113.9D218 T219 V224D218-S222 PolarHBondContact O-N 3.28Å; D218-S222 PolarHBondContact O-OG 3.03Å; T219-S222 PolarHBondContact O-N 3.38Å; S222-V224 VanDerWaalsContact C-N 3.25Å; S222-V224 PolarHBondContact O-N 3.36Å
223L88.7Confident89Confident17 Ų1761.8 Ų61.89%0.08933%0.326CS..THydrogen-bonded Turntrans-70-11.9170.8-80.5172.2000114.9I208 L211 T219 R221 H262 L274I208-L223 HydrophobicContact CD1-CD1 4.15Å; L211-L223 HydrophobicContact CD2-CD1 4.04Å; T219-L223 WeakPolarHBondContact O-CG 3.32Å; T219-L223 PolarHBondContact O-N 2.91Å; T219-L223 VanDerWaalsContact O-N 3.13Å; R221-L223 PolarHBondContact O-N 3.46Å; R221-L223 VanDerWaalsContact O-N 3.08Å; L223-H262 PolarHBondContact O-CD2 3.13Å; L223-L274 HydrophobicContact CD1-CD1 4.4Å; L223-L274 HydrophobicContact CD2-CD1 4.46Å
224V90.8Very high89.1Confident0 Ų061.1 Ų61.10%032%0.321CS..THydrogen-bonded Turntrans-131.6-24.4179.4-68.20000114.4R221 S222 N226 I227 V228 P230 I248 A259 I263R221-V224 VanDerWaalsContact O-CG2 3.27Å; R221-V224 WeakPolarHBondContact O-CG2 3.31Å; R221-V224 PolarHBondContact O-N 2.73Å; S222-V224 VanDerWaalsContact C-N 3.25Å; S222-V224 PolarHBondContact O-N 3.36Å; V224-N226 PolarHBondContact O-N 3.45Å; V224-I227 PolarHBondContact O-N 2.83Å; V224-V228 CarbonylContact C-O 3.52Å; V224-V228 PolarHBondContact O-N 3.31Å; V224-P230 HydrophobicContact CG2-CB 4.29Å; V224-P230 HydrophobicContact CG2-CG 3.79Å; V224-I248 HydrophobicContact CG1-CD1 3.78Å; V224-I248 HydrophobicContact CG2-CD1 4.35Å; V224-I248 HydrophobicContact CG2-CG2 4.11Å; V224-A259 HydrophobicContact CB-CB 4.46Å; V224-A259 HydrophobicContact CG1-CB 3.89Å; V224-I263 HydrophobicContact CG1-CD1 3.61Å; V224-I263 HydrophobicContact CG1-CG1 3.86Å
225E89.5Confident89.3Confident100 Ų10056.9 Ų56.947%0.46729%0.292SS..THydrogen-bonded Turntrans-54.4-24.7-175.1-169156.1-14100114.2R221 I227 V228R221-E225 WeakPolarHBondContact CD-OE1 3.25Å; R221-E225 HydrophobicContact CG-CB 4.39Å; R221-E225 WeakPolarHBondContact O-CB 3.47Å; R221-E225 PolarHBondContact O-N 2.84Å; E225-I227 VanDerWaalsContact C-N 3.33Å; E225-I227 PolarHBondContact O-N 2.96Å; E225-V228 WeakPolarHBondContact CA-O 3.25Å
226N86.6Confident89.3Confident135 Ų13559.1 Ų59.172%0.72230%0.303SS*.THydrogen-bonded Turntrans-72.8-17.3175.8-61.1-39.2000114.6V224V224-N226 PolarHBondContact O-N 3.45Å
227I89.2Confident89.1Confident77 Ų7759.5 Ų59.540%0.39531%0.305SS..THydrogen-bonded Turntrans-129.1-30.9-174.2-58.5-156.2000112.4V224 E225 R258 H262V224-I227 PolarHBondContact O-N 2.83Å; E225-I227 VanDerWaalsContact C-N 3.33Å; E225-I227 PolarHBondContact O-N 2.96Å; I227-R258 HydrophobicContact CG2-CB 4.12Å; I227-H262 HydrophobicContact CD1-CB 3.95Å; I227-H262 VanDerWaalsContact CD1-CG 3.5Å; I227-H262 WeakPolarHBondContact CD1-ND1 3.36Å
228V90.3Very high88.6Confident6 Ų660.4 Ų60.44%0.03631%0.311CS..  trans-139.8142.4-178.8169.40000108.7V224 E225 P230 D255 R258 A259V224-V228 CarbonylContact C-O 3.52Å; V224-V228 PolarHBondContact O-N 3.31Å; E225-V228 WeakPolarHBondContact CA-O 3.25Å; V228-P230 WeakPolarHBondContact O-CD 3.45Å; V228-D255 HydrophobicContact CG1-CB 3.76Å; V228-D255 HydrophobicContact CG2-CB 4.07Å; V228-D255 WeakPolarHBondContact CG2-O 3.38Å; V228-R258 HydrophobicContact CG2-CB 4.04Å; V228-A259 HydrophobicContact CG2-CB 4.27Å
229Q88.5Confident88.1Confident174 Ų17463 Ų6381%0.81333%0.325SS*.  trans-91.899.6168.7-173.4169.987.500109.7
230P88.5Confident87.4Confident19 Ų1964 Ų6412%0.12335%0.345CS..  trans-71.6138.1-176.530.5-37.5000111.8R221 V224 V228 S232 C233 I248 D249R221-P230 HydrophobicContact CG-CG 4.13Å; V224-P230 HydrophobicContact CG2-CB 4.29Å; V224-P230 HydrophobicContact CG2-CG 3.79Å; V228-P230 WeakPolarHBondContact O-CD 3.45Å; P230-S232 PolarHBondContact O-N 3.25Å; P230-C233 WeakPolarHBondContact CG-SG 3.46Å; P230-I248 HydrophobicContact CB-CG2 3.85Å; P230-D249 CarbonylContact C-O 3.49Å; P230-D249 WeakPolarHBondContact CA-O 3.3Å
231K86.5Confident86.9Confident125 Ų12571 Ų7154%0.54337%0.372SS..SBendtrans-61.2-31.8171.1-73.9172.7171.1154.10112.3D249 A251K231-D249 HydrophobicContact CB-CB 4.3Å; K231-D249 WeakPolarHBondContact CB-O 3.47Å; K231-D249 PolarHBondContact N-O 2.97Å; K231-A251 HydrophobicContact CG-CB 4.42Å; K231-A251 PolarHBondContact NZ-O 3.46Å
232S86.5Confident86.4Confident29 Ų2967.5 Ų67.520%0.20336%0.359CS..EExtended strand (participates in β ladder)trans-162.4126.8177.8-166.70000111.6P230 I248 D249 R292P230-S232 PolarHBondContact O-N 3.25Å; S232-I248 WeakPolarHBondContact O-CA 3.46Å; S232-D249 PolarHBondContact N-O 2.94Å; S232-D249 PolarHBondContact O-N 3.26Å; S232-R292 PolarHBondContact OG-NH1 3.15Å
233C90.1Very high86.3Confident13 Ų1372.6 Ų72.69%0.08837%0.368CS..EExtended strand (participates in β ladder)trans-106.4140.3165.1-69.30000109.8V220 R221 P230 F247V220-C233 HydrophobicContact CG1-CB 4.07Å; R221-C233 HydrophobicContact CB-CB 4.14Å; P230-C233 WeakPolarHBondContact CG-SG 3.46Å; C233-F247 WeakPolarHBondContact CA-O 3.43Å
234K89Confident86.3Confident101 Ų10172.7 Ų72.744%0.43937%0.373SS..EExtended strand (participates in β ladder)trans-149.8114.1177.3-171.569.4-150.2152.10112.5D217 G246 F247D217-K234 WeakPolarHBondContact OD1-CA 3.35Å; D217-K234 WeakPolarHBondContact OD1-CD 3.3Å; D217-K234 VanDerWaalsContact OD1-CE 3.31Å; D217-K234 WeakPolarHBondContact OD1-CE 3.11Å; D217-K234 IonicContact OD1-NZ 2.91Å; D217-K234 PolarHBondContact OD1-NZ 2.9Å; D217-K234 IonicContact OD2-NZ 3.04Å; D217-K234 PolarHBondContact OD2-NZ 3.48Å; K234-G246 CarbonylContact O-C 3.54Å; K234-G246 WeakPolarHBondContact O-CA 3.35Å; K234-F247 PolarHBondContact N-O 2.88Å; K234-F247 PolarHBondContact O-N 3.33Å
235A90.3Very high86.3Confident1 Ų172.9 Ų72.91%0.00837%0.374CS..EExtended strand (participates in β ladder)trans-73.8138.716700000110.2D217 V220 V237D217-A235 PolarHBondContact OD1-N 3.28Å; V220-A235 HydrophobicContact CG2-CB 4.32Å; A235-V237 HydrophobicContact CB-CG2 4.39Å; A235-V237 PolarHBondContact O-N 3.17Å
236M87.6Confident86.4Confident57 Ų5768.1 Ų68.128%0.28135%0.352SS..EExtended strand (participates in β ladder)trans-81.383.7175.8-176.8163.151.900109.9R243 S245M236-R243 HydrophobicContact CE-CB 4.46Å; M236-R243 HydrophobicContact CE-CG 4.38Å; M236-R243 HydrophobicContact CG-CB 4.39Å; M236-R243 WeakPolarHBondContact O-CB 3.35Å; M236-R243 PolarHBondContact O-N 2.91Å; M236-S245 WeakPolarHBondContact CB-O 3.35Å; M236-S245 WeakPolarHBondContact CE-OG 3.18Å; M236-S245 PolarHBondContact N-O 3.37Å
237V85.3Confident86.8Confident72 Ų7265.5 Ų65.544%0.43634%0.335SS..EExtended strand (participates in β ladder)trans-78.7131.7176.5-178.40000110.6A235 R241A235-V237 HydrophobicContact CB-CG2 4.39Å; A235-V237 PolarHBondContact O-N 3.17Å; V237-R241 CarbonylContact C-O 3.55Å; V237-R241 WeakPolarHBondContact CA-O 3.36Å
238V80.2Confident86.9Confident62 Ų6261.9 Ų61.938%0.37632%0.316SS..EExtended strand (participates in β ladder)trans-130.3128.7173.71800000108.4G240 R241 R243V238-G240 PolarHBondContact O-N 3.06Å; V238-G240 VanDerWaalsContact O-N 3.16Å; V238-R241 PolarHBondContact N-O 3.22Å; V238-R241 PolarHBondContact O-N 3.36Å; V238-R241 VanDerWaalsContact O-N 3.1Å; V238-R241 VanDerWaalsContact O-O 3.08Å; V238-R243 HydrophobicContact CG2-CB 4.3Å
239N79.3Confident87Confident137 Ų13762.2 Ų62.273%0.73332%0.318SS*.THydrogen-bonded Turntrans5135.9-176.7-57.1-11.5000113.6R241N239-R241 VanDerWaalsContact C-N 3.33Å; N239-R241 PolarHBondContact O-N 3.41Å
240G75.4Confident87.2Confident69 Ų6954 Ų5471%0.71128%0.279SS*.THydrogen-bonded Turntrans82.2-6.2179.400000116.3V238V238-G240 PolarHBondContact O-N 3.06Å; V238-G240 VanDerWaalsContact O-N 3.16Å
241R79.2Confident87.3Confident149 Ų14955.2 Ų55.256%0.56229%0.291SS*.EExtended strand (participates in β ladder)trans-110.8149.3175.4-69.4-171.1-75.2151.3-6.3111.7E213 V237 V238 N239E213-R241 VanDerWaalsContact CD-NH1 3.29Å; E213-R241 IonicContact OE1-NH1 2.66Å; E213-R241 PolarHBondContact OE1-NH1 3.35Å; E213-R241 WeakPolarHBondContact OE2-CD 3.17Å; E213-R241 IonicContact OE2-CZ 3.6Å; E213-R241 IonicContact OE2-NE 3.74Å; E213-R241 IonicContact OE2-NH1 2.67Å; E213-R241 PolarHBondContact OE2-NH1 3.08Å; V237-R241 CarbonylContact C-O 3.55Å; V237-R241 WeakPolarHBondContact CA-O 3.36Å; V238-R241 PolarHBondContact N-O 3.22Å; V238-R241 PolarHBondContact O-N 3.36Å; V238-R241 VanDerWaalsContact O-N 3.1Å; V238-R241 VanDerWaalsContact O-O 3.08Å; N239-R241 VanDerWaalsContact C-N 3.33Å; N239-R241 PolarHBondContact O-N 3.41Å
242C83.6Confident87.5Confident7 Ų751.1 Ų51.15%0.04728%0.278CS..EExtended strand (participates in β ladder)trans-69.6135.4175.3-174.70000110.6S212 E213 D215 G244S212-C242 WeakPolarHBondContact O-CB 3.45Å; E213-C242 WeakPolarHBondContact O-CB 3.43Å; E213-C242 PolarHBondContact O-N 3.28Å; D215-C242 WeakPolarHBondContact O-CB 3.31Å; C242-G244 PolarHBondContact O-N 3.1Å; C242-G244 VanDerWaalsContact O-N 3.11Å
243R86.6Confident87.8Confident175 Ų17552.9 Ų52.966%0.6628%0.283SS*.EExtended strand (participates in β ladder)trans-81.125.9176.5-169166.2168.4137.25.9112.4M236 V238 S245M236-R243 HydrophobicContact CE-CB 4.46Å; M236-R243 HydrophobicContact CE-CG 4.38Å; M236-R243 HydrophobicContact CG-CB 4.39Å; M236-R243 WeakPolarHBondContact O-CB 3.35Å; M236-R243 PolarHBondContact O-N 2.91Å; V238-R243 HydrophobicContact CG2-CB 4.3Å; R243-S245 PolarHBondContact O-N 3.49Å; R243-S245 PolarHBondContact O-OG 3.43Å; R243-S245 VanDerWaalsContact O-OG 3.12Å
244G88.6Confident88Confident18 Ų1858 Ų5819%0.18631%0.306CS..EExtended strand (participates in β ladder)trans59.427.2-177.200000115S209 G210 L211 C242S209-G244 CarbonylContact C-O 3.55Å; S209-G244 WeakPolarHBondContact CA-O 3.49Å; G210-G244 PolarHBondContact N-O 2.85Å; L211-G244 PolarHBondContact N-O 3.12Å; L211-G244 VanDerWaalsContact N-O 3.12Å; L211-G244 WeakPolarHBondContact O-CA 3.31Å; C242-G244 PolarHBondContact O-N 3.1Å; C242-G244 VanDerWaalsContact O-N 3.11Å
245S91.6Very high88.2Confident4 Ų454.1 Ų54.13%0.02829%0.29CS..EExtended strand (participates in β ladder)trans-157.6156.9-175.9470000112.5Y207 I208 M236 R243Y207-S245 WeakPolarHBondContact OH-CB 3.4Å; I208-S245 CarbonylContact O-C 3.59Å; I208-S245 WeakPolarHBondContact O-CA 3.28Å; I208-S245 WeakPolarHBondContact O-CB 3.4Å; M236-S245 WeakPolarHBondContact CB-O 3.35Å; M236-S245 WeakPolarHBondContact CE-OG 3.18Å; M236-S245 PolarHBondContact N-O 3.37Å; R243-S245 PolarHBondContact O-N 3.49Å; R243-S245 PolarHBondContact O-OG 3.43Å; R243-S245 VanDerWaalsContact O-OG 3.12Å
246G92.6Very high88.4Confident0 Ų054.1 Ų54.10%029%0.289CS..EExtended strand (participates in β ladder)trans-161.6-177.7-178.100000113.2Y207 I208 K234Y207-G246 WeakPolarHBondContact CD2-O 3.08Å; I208-G246 WeakPolarHBondContact CG2-O 3.33Å; I208-G246 PolarHBondContact N-O 2.62Å; I208-G246 PolarHBondContact O-N 2.89Å; K234-G246 CarbonylContact O-C 3.54Å; K234-G246 WeakPolarHBondContact O-CA 3.35Å
247F93.3Very high88.7Confident81 Ų8156.4 Ų56.436%0.35530%0.299SS..EExtended strand (participates in β ladder)trans-132.2145-178.5-62.3-92.7000110.8L206 Y207 C233 K234 A279L206-F247 CarbonylContact O-C 3.54Å; L206-F247 VanDerWaalsContact O-CA 3.28Å; L206-F247 WeakPolarHBondContact O-CA 3.15Å; Y207-F247 HydrophobicContact CD2-CD1 4.09Å; Y207-F247 AromaticContact CD2-CE1 3.59Å; Y207-F247 HydrophobicContact CD2-CE1 3.59Å; Y207-F247 HydrophobicContact CD2-CE2 4.17Å; Y207-F247 AromaticContact CD2-CZ 3.63Å; Y207-F247 HydrophobicContact CD2-CZ 3.63Å; Y207-F247 HydrophobicContact CE2-CE1 4.45Å; Y207-F247 HydrophobicContact CE2-CE2 4.42Å; Y207-F247 HydrophobicContact CE2-CZ 4.06Å; Y207-F247 HydrophobicContact CG-CE1 4.35Å; C233-F247 WeakPolarHBondContact CA-O 3.43Å; K234-F247 PolarHBondContact N-O 2.88Å; K234-F247 PolarHBondContact O-N 3.33Å; F247-A279 HydrophobicContact CD1-CB 4.12Å; F247-A279 HydrophobicContact CE1-CB 4.23Å
248I93Very high89.1Confident0 Ų059.4 Ų59.40%030%0.303CS..EExtended strand (participates in β ladder)trans-134.4111.6179.5-53.1178.2000108.3N205 L206 I208 V220 V224 P230 S232 I263N205-I248 CarbonylContact C-O 3.55Å; N205-I248 WeakPolarHBondContact CA-O 3Å; L206-I248 HydrophobicContact CB-CB 4.36Å; L206-I248 PolarHBondContact N-O 2.89Å; L206-I248 PolarHBondContact O-N 3.32Å; I208-I248 HydrophobicContact CG2-CD1 4.46Å; V220-I248 HydrophobicContact CG1-CD1 3.98Å; V220-I248 HydrophobicContact CG1-CG1 3.75Å; V224-I248 HydrophobicContact CG1-CD1 3.78Å; V224-I248 HydrophobicContact CG2-CD1 4.35Å; V224-I248 HydrophobicContact CG2-CG2 4.11Å; P230-I248 HydrophobicContact CB-CG2 3.85Å; S232-I248 WeakPolarHBondContact O-CA 3.46Å; I248-I263 HydrophobicContact CD1-CD1 3.77Å
249D91.4Very high89.8Confident14 Ų1456.5 Ų56.58%0.07529%0.285CS..EExtended strand (participates in β ladder)trans-89.8109.1176.4175.88.4000108.1N205 P230 K231 S232 K364N205-D249 WeakPolarHBondContact OD1-CB 3.48Å; N205-D249 PolarHBondContact OD1-OD1 3.3Å; P230-D249 CarbonylContact C-O 3.49Å; P230-D249 WeakPolarHBondContact CA-O 3.3Å; K231-D249 HydrophobicContact CB-CB 4.3Å; K231-D249 WeakPolarHBondContact CB-O 3.47Å; K231-D249 PolarHBondContact N-O 2.97Å; S232-D249 PolarHBondContact N-O 2.94Å; S232-D249 PolarHBondContact O-N 3.26Å; D249-K364 IonicContact OD2-NZ 3.27Å; D249-K364 PolarHBondContact OD2-NZ 2.78Å
250C92.5Very high90.5Very high0 Ų052.8 Ų52.80%026%0.263CS..  trans-91.8159.1-176-56.80000111.6T204 D255 A256T204-C250 VanDerWaalsContact O-CB 3.27Å; T204-C250 WeakPolarHBondContact O-CB 3.3Å; T204-C250 PolarHBondContact O-N 2.92Å; C250-D255 HydrophobicContact CB-CB 3.83Å; C250-A256 HydrophobicContact CB-CB 3.98Å
251A90.1Very high91.3Very high45 Ų4552.4 Ų52.437%0.37225%0.253SS..SBendtrans-70.7-43.5-175.500000112K231 D255K231-A251 HydrophobicContact CG-CB 4.42Å; K231-A251 PolarHBondContact NZ-O 3.46Å; A251-D255 VanDerWaalsContact CB-OD2 3.24Å; A251-D255 WeakPolarHBondContact CB-OD2 3.3Å; A251-D255 PolarHBondContact N-OD2 2.91Å
252S91.7Very high91.8Very high39 Ų3947.2 Ų47.227%0.27324%0.235SC..SBendtrans-125-172.8173.680.50000113.1E254 D255 A256S252-E254 WeakPolarHBondContact CB-OE2 3.41Å; S252-E254 PolarHBondContact OG-N 2.96Å; S252-E254 PolarHBondContact OG-OE2 3.44Å; S252-D255 PolarHBondContact N-OD2 3.33Å; S252-D255 PolarHBondContact OG-N 3.22Å; S252-A256 PolarHBondContact O-N 3.21Å
253E93Very high92.2Very high66 Ų6646.9 Ų46.931%0.30823%0.233SC..Hα-helixtrans-79-39.6175.1-176.6164.6-164.800111.1K203 D255 A256 E257K203-E253 HydrophobicContact CB-CB 4.36Å; K203-E253 HydrophobicContact CB-CG 4.02Å; K203-E253 VanDerWaalsContact CD-OE2 3.29Å; K203-E253 WeakPolarHBondContact CD-OE2 3.15Å; K203-E253 WeakPolarHBondContact CE-OE2 3.31Å; K203-E253 WeakPolarHBondContact CG-OE1 3.32Å; K203-E253 IonicContact NZ-OE1 3.17Å; K203-E253 PolarHBondContact NZ-OE1 2.95Å; K203-E253 IonicContact NZ-OE2 2.81Å; K203-E253 PolarHBondContact NZ-OE2 3.06Å; E253-D255 VanDerWaalsContact C-N 3.29Å; E253-D255 PolarHBondContact O-N 3.46Å; E253-A256 CarbonylContact O-C 3.59Å; E253-A256 WeakPolarHBondContact O-CA 3.42Å; E253-A256 WeakPolarHBondContact O-CB 3.29Å; E253-A256 PolarHBondContact O-N 2.96Å; E253-E257 WeakPolarHBondContact O-CG 3.13Å; E253-E257 PolarHBondContact O-N 3.43Å
254E93.7Very high92.4Very high122 Ų12242.3 Ų42.357%0.5722%0.221SC*.Hα-helixtrans-60.4-39173.8-51.775.5-16700111.1S252 E257 R258S252-E254 WeakPolarHBondContact CB-OE2 3.41Å; S252-E254 PolarHBondContact OG-N 2.96Å; S252-E254 PolarHBondContact OG-OE2 3.44Å; E254-E257 PolarHBondContact O-N 2.96Å; E254-R258 WeakPolarHBondContact O-CG 3.41Å; E254-R258 PolarHBondContact O-N 3.38Å
255D94Very high92.3Very high19 Ų1945.4 Ų45.410%0.10223%0.231CC..Hα-helixtrans-60.4-44.5169.5-81.8-13.8000112.4V228 C250 A251 S252 E253 E257 R258 A259V228-D255 HydrophobicContact CG1-CB 3.76Å; V228-D255 HydrophobicContact CG2-CB 4.07Å; V228-D255 WeakPolarHBondContact CG2-O 3.38Å; C250-D255 HydrophobicContact CB-CB 3.83Å; A251-D255 VanDerWaalsContact CB-OD2 3.24Å; A251-D255 WeakPolarHBondContact CB-OD2 3.3Å; A251-D255 PolarHBondContact N-OD2 2.91Å; S252-D255 PolarHBondContact N-OD2 3.33Å; S252-D255 PolarHBondContact OG-N 3.22Å; E253-D255 VanDerWaalsContact C-N 3.29Å; E253-D255 PolarHBondContact O-N 3.46Å; D255-E257 VanDerWaalsContact C-N 3.27Å; D255-E257 PolarHBondContact O-N 3.47Å; D255-R258 PolarHBondContact O-N 3.14Å; D255-R258 IonicContact OD1-CZ 3.31Å; D255-R258 IonicContact OD1-NE 3.74Å; D255-R258 IonicContact OD1-NH2 2.88Å; D255-R258 PolarHBondContact OD1-NH2 3.01Å; D255-A259 VanDerWaalsContact O-CB 3.31Å; D255-A259 WeakPolarHBondContact O-CB 3.34Å; D255-A259 PolarHBondContact O-N 3.32Å
256A93.6Very high92Very high0 Ų046.2 Ų46.20%024%0.236CC..Hα-helixtrans-64.2-34.1178.200000111.6K203 L206 C250 S252 E253 K260 Y278K203-A256 WeakPolarHBondContact O-CB 3.22Å; L206-A256 WeakPolarHBondContact CD1-O 3.46Å; L206-A256 HydrophobicContact CD2-CB 4.16Å; L206-A256 HydrophobicContact CG-CB 4.29Å; C250-A256 HydrophobicContact CB-CB 3.98Å; S252-A256 PolarHBondContact O-N 3.21Å; E253-A256 CarbonylContact O-C 3.59Å; E253-A256 WeakPolarHBondContact O-CA 3.42Å; E253-A256 WeakPolarHBondContact O-CB 3.29Å; E253-A256 PolarHBondContact O-N 2.96Å; A256-K260 WeakPolarHBondContact O-CB 3.43Å; A256-K260 PolarHBondContact O-N 3.1Å; A256-Y278 HydrophobicContact CB-CE1 4.43Å
257E93.9Very high91.7Very high105 Ų10546.9 Ų46.949%0.49124%0.242SC..Hα-helixtrans-68.1-46.2172.7-59.4-148.4126.900112.5E253 E254 D255 K260 A261 Y278E253-E257 WeakPolarHBondContact O-CG 3.13Å; E253-E257 PolarHBondContact O-N 3.43Å; E254-E257 PolarHBondContact O-N 2.96Å; D255-E257 VanDerWaalsContact C-N 3.27Å; D255-E257 PolarHBondContact O-N 3.47Å; E257-K260 PolarHBondContact O-N 2.84Å; E257-A261 WeakPolarHBondContact O-CB 3.45Å; E257-A261 PolarHBondContact O-N 2.99Å; E257-Y278 PolarHBondContact OE1-OH 3.33Å
258R94.2Very high91.3Very high136 Ų13651.7 Ų51.751%0.51326%0.257SS..Hα-helixtrans-60.4-46.5176.5-70.3-169.8-64.4175.71112I227 V228 E254 D255 A261 H262I227-R258 HydrophobicContact CG2-CB 4.12Å; V228-R258 HydrophobicContact CG2-CB 4.04Å; E254-R258 WeakPolarHBondContact O-CG 3.41Å; E254-R258 PolarHBondContact O-N 3.38Å; D255-R258 PolarHBondContact O-N 3.14Å; D255-R258 IonicContact OD1-CZ 3.31Å; D255-R258 IonicContact OD1-NE 3.74Å; D255-R258 IonicContact OD1-NH2 2.88Å; D255-R258 PolarHBondContact OD1-NH2 3.01Å; R258-A261 PolarHBondContact O-N 3.44Å; R258-H262 WeakPolarHBondContact O-CB 3.5Å; R258-H262 PolarHBondContact O-N 2.96Å
259A94.1Very high90.8Very high1 Ų156.3 Ų56.31%0.00829%0.285CS..Hα-helixtrans-64.6-43.8177.300000112.3L206 V224 V228 D255 H262 I263L206-A259 HydrophobicContact CD1-CB 3.81Å; V224-A259 HydrophobicContact CB-CB 4.46Å; V224-A259 HydrophobicContact CG1-CB 3.89Å; V228-A259 HydrophobicContact CG2-CB 4.27Å; D255-A259 VanDerWaalsContact O-CB 3.31Å; D255-A259 WeakPolarHBondContact O-CB 3.34Å; D255-A259 PolarHBondContact O-N 3.32Å; A259-H262 PolarHBondContact O-N 3.5Å; A259-I263 WeakPolarHBondContact O-CD1 3.35Å; A259-I263 VanDerWaalsContact O-CG1 3.23Å; A259-I263 WeakPolarHBondContact O-CG1 3.48Å; A259-I263 PolarHBondContact O-N 2.99Å
260K93.4Very high90.1Very high58 Ų5859.7 Ų59.725%0.25230%0.304SS..Hα-helixtrans-58.9-46.5175169.3-171.4164.7-1540111.9L206 A256 E257 L264 V276 Y278L206-K260 HydrophobicContact CD1-CB 4.11Å; L206-K260 HydrophobicContact CD2-CB 4.12Å; A256-K260 WeakPolarHBondContact O-CB 3.43Å; A256-K260 PolarHBondContact O-N 3.1Å; E257-K260 PolarHBondContact O-N 2.84Å; K260-L264 HydrophobicContact CG-CD1 4.35Å; K260-L264 WeakPolarHBondContact O-CD1 3.24Å; K260-L264 VanDerWaalsContact O-CG 3.28Å; K260-L264 WeakPolarHBondContact O-CG 3.43Å; K260-L264 PolarHBondContact O-N 2.93Å; K260-V276 HydrophobicContact CB-CG1 4.3Å; K260-V276 HydrophobicContact CG-CG1 4.36Å; K260-Y278 HydrophobicContact CD-CE2 4.19Å; K260-Y278 PolarHBondContact NZ-OH 3.06Å
261A92.4Very high89.3Confident61 Ų6163 Ų6350%0.50434%0.337SS..Hα-helixtrans-63.3-46.1176.600000111.6E257 R258 I263 L264 E265E257-A261 WeakPolarHBondContact O-CB 3.45Å; E257-A261 PolarHBondContact O-N 2.99Å; R258-A261 PolarHBondContact O-N 3.44Å; A261-I263 PolarHBondContact O-N 3.31Å; A261-L264 PolarHBondContact O-N 3.28Å; A261-E265 PolarHBondContact O-N 3.31Å; A261-E265 VanDerWaalsContact O-N 3.11Å
262H91.4Very high88.9Confident41 Ų4165.5 Ų65.519%0.1934%0.337CS..Hα-helixtrans-59.2-48.4179-173.246.7000112.5L223 I227 R258 A259 L264 E265 C266L223-H262 PolarHBondContact O-CD2 3.13Å; I227-H262 HydrophobicContact CD1-CB 3.95Å; I227-H262 VanDerWaalsContact CD1-CG 3.5Å; I227-H262 WeakPolarHBondContact CD1-ND1 3.36Å; R258-H262 WeakPolarHBondContact O-CB 3.5Å; R258-H262 PolarHBondContact O-N 2.96Å; A259-H262 PolarHBondContact O-N 3.5Å; H262-L264 VanDerWaalsContact C-N 3.31Å; H262-L264 PolarHBondContact O-N 2.99Å; H262-E265 PolarHBondContact O-N 3.46Å; H262-C266 PolarHBondContact CE1-SG 3.39Å; H262-C266 WeakPolarHBondContact O-CB 3.42Å; H262-C266 PolarHBondContact O-N 2.91Å; H262-C266 PolarHBondContact O-SG 3.47Å
263I91.1Very high88.6Confident0 Ų073 Ų730%037%0.365CS..Hα-helixtrans-65.4-35.3-178.3-60.2157.1000111.4I208 V224 I248 A259 A261 C266 A267 L274 V276I208-I263 HydrophobicContact CD1-CD1 4.44Å; I208-I263 HydrophobicContact CD1-CG2 3.73Å; I208-I263 HydrophobicContact CG1-CG2 4.46Å; V224-I263 HydrophobicContact CG1-CD1 3.61Å; V224-I263 HydrophobicContact CG1-CG1 3.86Å; I248-I263 HydrophobicContact CD1-CD1 3.77Å; A259-I263 WeakPolarHBondContact O-CD1 3.35Å; A259-I263 VanDerWaalsContact O-CG1 3.23Å; A259-I263 WeakPolarHBondContact O-CG1 3.48Å; A259-I263 PolarHBondContact O-N 2.99Å; A261-I263 PolarHBondContact O-N 3.31Å; I263-C266 CarbonylContact O-C 3.55Å; I263-C266 PolarHBondContact O-N 2.85Å; I263-A267 WeakPolarHBondContact O-CB 3.34Å; I263-A267 PolarHBondContact O-N 2.99Å; I263-L274 HydrophobicContact CG2-CB 4.26Å; I263-L274 HydrophobicContact CG2-CD1 4.1Å; I263-V276 HydrophobicContact CB-CG2 3.72Å; I263-V276 HydrophobicContact CD1-CG2 3.83Å; I263-V276 HydrophobicContact CG1-CG2 4.4Å; I263-V276 HydrophobicContact CG2-CG2 3.35Å
264L89.9Confident88.5Confident78 Ų7870.3 Ų70.341%0.40835%0.352SS..Hα-helixtrans-65.9-39.7176.2-72169.3000111.8K260 A261 H262 A267 R268K260-L264 HydrophobicContact CG-CD1 4.35Å; K260-L264 WeakPolarHBondContact O-CD1 3.24Å; K260-L264 VanDerWaalsContact O-CG 3.28Å; K260-L264 WeakPolarHBondContact O-CG 3.43Å; K260-L264 PolarHBondContact O-N 2.93Å; A261-L264 PolarHBondContact O-N 3.28Å; H262-L264 VanDerWaalsContact C-N 3.31Å; H262-L264 PolarHBondContact O-N 2.99Å; L264-A267 VanDerWaalsContact O-CB 3.26Å; L264-A267 WeakPolarHBondContact O-CB 3.29Å; L264-A267 PolarHBondContact O-N 2.98Å; L264-R268 PolarHBondContact O-N 2.89Å
265E88Confident88.3Confident84 Ų8466.7 Ų66.739%0.39334%0.341SS..Hα-helixtrans-70.7-39.9173.6-177.755.6-164.700111.6A261 H262 A267 R268 T269A261-E265 PolarHBondContact O-N 3.31Å; A261-E265 VanDerWaalsContact O-N 3.11Å; H262-E265 PolarHBondContact O-N 3.46Å; E265-A267 PolarHBondContact O-N 3.48Å; E265-R268 WeakPolarHBondContact O-CA 3.38Å; E265-R268 WeakPolarHBondContact O-CB 3.23Å; E265-R268 PolarHBondContact O-N 3.2Å; E265-R268 IonicContact OE1-CZ 3.9Å; E265-R268 VanDerWaalsContact OE1-CZ 3.31Å; E265-R268 IonicContact OE1-NE 3.16Å; E265-R268 PolarHBondContact OE1-NE 2.93Å; E265-R268 VanDerWaalsContact OE1-NE 3.17Å; E265-R268 IonicContact OE1-NH2 2.7Å; E265-R268 PolarHBondContact OE1-NH2 3.11Å; E265-R268 IonicContact OE2-CZ 3.64Å; E265-R268 IonicContact OE2-NE 3.34Å; E265-R268 PolarHBondContact OE2-NE 3.41Å; E265-R268 IonicContact OE2-NH2 2.69Å; E265-T269 PolarHBondContact O-N 3.2Å; E265-T269 PolarHBondContact O-OG1 3.46Å
266C85.3Confident88.2Confident21 Ų2166.3 Ų66.314%0.14234%0.339CS..Hα-helixtrans-60.7-28.8170.4-70.70000113.1H262 I263 N270H262-C266 PolarHBondContact CE1-SG 3.39Å; H262-C266 WeakPolarHBondContact O-CB 3.42Å; H262-C266 PolarHBondContact O-N 2.91Å; H262-C266 PolarHBondContact O-SG 3.47Å; I263-C266 CarbonylContact O-C 3.55Å; I263-C266 PolarHBondContact O-N 2.85Å; C266-N270 WeakPolarHBondContact O-CB 3.4Å; C266-N270 PolarHBondContact O-N 2.99Å; C266-N270 PolarHBondContact O-ND2 3.45Å
267A86.4Confident88.2Confident14 Ų1472.7 Ų72.712%0.11637%0.367CS..Hα-helixtrans-64.9-46.2172.100000110.7I263 L264 E265 G271 R272 L274I263-A267 WeakPolarHBondContact O-CB 3.34Å; I263-A267 PolarHBondContact O-N 2.99Å; L264-A267 VanDerWaalsContact O-CB 3.26Å; L264-A267 WeakPolarHBondContact O-CB 3.29Å; L264-A267 PolarHBondContact O-N 2.98Å; E265-A267 PolarHBondContact O-N 3.48Å; A267-G271 PolarHBondContact O-N 2.95Å; A267-R272 CarbonylContact C-O 3.51Å; A267-R272 VanDerWaalsContact CA-O 3.24Å; A267-R272 WeakPolarHBondContact CA-O 3.29Å; A267-R272 WeakPolarHBondContact CB-O 3.42Å; A267-R272 VanDerWaalsContact O-O 3.08Å; A267-L274 HydrophobicContact CB-CB 3.8Å; A267-L274 HydrophobicContact CB-CG 4.48Å
268R84.4Confident88.2Confident182 Ų18270.2 Ų70.269%0.68735%0.353SS*.Hα-helixtrans-63.8-44.6178.5-161.6-175.872.983.71.4111.8L264 E265L264-R268 PolarHBondContact O-N 2.89Å; E265-R268 WeakPolarHBondContact O-CA 3.38Å; E265-R268 WeakPolarHBondContact O-CB 3.23Å; E265-R268 PolarHBondContact O-N 3.2Å; E265-R268 IonicContact OE1-CZ 3.9Å; E265-R268 VanDerWaalsContact OE1-CZ 3.31Å; E265-R268 IonicContact OE1-NE 3.16Å; E265-R268 PolarHBondContact OE1-NE 2.93Å; E265-R268 VanDerWaalsContact OE1-NE 3.17Å; E265-R268 IonicContact OE1-NH2 2.7Å; E265-R268 PolarHBondContact OE1-NH2 3.11Å; E265-R268 IonicContact OE2-CZ 3.64Å; E265-R268 IonicContact OE2-NE 3.34Å; E265-R268 PolarHBondContact OE2-NE 3.41Å; E265-R268 IonicContact OE2-NH2 2.69Å
269T81.6Confident88Confident96 Ų9664 Ų6459%0.58933%0.331SS*.Hα-helixtrans-75.4-43.5-177.4-48.10000113.2E265 G271E265-T269 PolarHBondContact O-N 3.2Å; E265-T269 PolarHBondContact O-OG1 3.46Å; T269-G271 VanDerWaalsContact C-N 3.29Å; T269-G271 PolarHBondContact O-N 3.2Å
270N76.4Confident87.6Confident86 Ų8669.8 Ų69.846%0.4635%0.353SS..SBendtrans-84.63.3-174-64.5-59.3000114.1C266 R272C266-N270 WeakPolarHBondContact O-CB 3.4Å; C266-N270 PolarHBondContact O-N 2.99Å; C266-N270 PolarHBondContact O-ND2 3.45Å; N270-R272 PolarHBondContact O-N 2.87Å
271G77.6Confident87Confident68 Ų6870.1 Ų70.170%0.70136%0.356SS*.  trans64.10.1-173.500000115.2A267 T269A267-G271 PolarHBondContact O-N 2.95Å; T269-G271 VanDerWaalsContact C-N 3.29Å; T269-G271 PolarHBondContact O-N 3.2Å
272R81.7Confident86.2Confident98 Ų9870.3 Ų70.337%0.3735%0.349SS..  trans-84126.4179.3-72.3-163.6-94.2177-7.2109.6D215 A267 N270 L274D215-R272 IonicContact OD1-NH1 2.67Å; D215-R272 PolarHBondContact OD1-NH1 3.12Å; D215-R272 IonicContact OD2-NH1 2.64Å; D215-R272 PolarHBondContact OD2-NH1 3.41Å; A267-R272 CarbonylContact C-O 3.51Å; A267-R272 VanDerWaalsContact CA-O 3.24Å; A267-R272 WeakPolarHBondContact CA-O 3.29Å; A267-R272 WeakPolarHBondContact CB-O 3.42Å; A267-R272 VanDerWaalsContact O-O 3.08Å; N270-R272 PolarHBondContact O-N 2.87Å; R272-L274 HydrophobicContact CB-CG 4.06Å; R272-L274 PolarHBondContact O-N 3.2Å
273K85Confident85.7Confident196 Ų19674.3 Ų74.385%0.85237%0.367SS*.  trans-74.455.7179.6-63.6-177.2179.6179.10112.6
274L89.5Confident85.3Confident10 Ų1079.2 Ų79.25%0.05239%0.389CS..  trans-71.1138.5175.2-55.8174.5000110I208 S209 G210 L211 L223 I263 A267 R272I208-L274 HydrophobicContact CD1-CD2 4.46Å; S209-L274 CarbonylContact O-C 3.52Å; S209-L274 VanDerWaalsContact O-CA 3.3Å; S209-L274 WeakPolarHBondContact O-CA 3.16Å; G210-L274 WeakPolarHBondContact O-CD2 3.16Å; L211-L274 HydrophobicContact CD2-CD2 3.92Å; L211-L274 HydrophobicContact CG-CD2 4.48Å; L223-L274 HydrophobicContact CD1-CD1 4.4Å; L223-L274 HydrophobicContact CD2-CD1 4.46Å; I263-L274 HydrophobicContact CG2-CB 4.26Å; I263-L274 HydrophobicContact CG2-CD1 4.1Å; A267-L274 HydrophobicContact CB-CB 3.8Å; A267-L274 HydrophobicContact CB-CG 4.48Å; R272-L274 HydrophobicContact CB-CG 4.06Å; R272-L274 PolarHBondContact O-N 3.2Å
275S90.4Very high85.2Confident47 Ų4777.3 Ų77.333%0.32938%0.379SS..EExtended strand (participates in β ladder)trans-135.1125.7174.7-173.90000109.7S209S209-S275 PolarHBondContact N-O 2.96Å; S209-S275 PolarHBondContact O-N 3.1Å; S209-S275 PolarHBondContact OG-O 3.32Å
276V92.8Very high85.2Confident10 Ų1075.1 Ų75.16%0.06138%0.375CS..EExtended strand (participates in β ladder)trans-115.1137.9-177.7-178.90000110.4L206 Y207 I208 K260 I263L206-V276 HydrophobicContact CB-CG1 3.93Å; L206-V276 HydrophobicContact CD1-CG1 4.1Å; L206-V276 HydrophobicContact CD2-CG1 4.15Å; L206-V276 HydrophobicContact CG-CG1 4.29Å; Y207-V276 WeakPolarHBondContact O-CA 3.35Å; I208-V276 HydrophobicContact CB-CG2 4.14Å; I208-V276 HydrophobicContact CD1-CG2 4.39Å; I208-V276 HydrophobicContact CG1-CG2 4.01Å; K260-V276 HydrophobicContact CB-CG1 4.3Å; K260-V276 HydrophobicContact CG-CG1 4.36Å; I263-V276 HydrophobicContact CB-CG2 3.72Å; I263-V276 HydrophobicContact CD1-CG2 3.83Å; I263-V276 HydrophobicContact CG1-CG2 4.4Å; I263-V276 HydrophobicContact CG2-CG2 3.35Å
277K93.2Very high85.6Confident134 Ų13476.5 Ų76.558%0.58338%0.381SS*.EExtended strand (participates in β ladder)trans-140.1159.7176.3-58.6-175.7-179-175.90108.6L206 Y207 A279L206-K277 CarbonylContact C-O 3.49Å; L206-K277 WeakPolarHBondContact CA-O 3.06Å; Y207-K277 PolarHBondContact N-O 3.21Å; Y207-K277 PolarHBondContact O-N 3Å; K277-A279 PolarHBondContact O-N 3.4Å
278Y93.3Very high85.9Confident53 Ų5377.1 Ų77.121%0.20838%0.382CS..EExtended strand (participates in β ladder)trans-61.4137.1165-60.5-78.8000109.3K203 L206 A256 E257 K260K203-Y278 WeakPolarHBondContact O-CE1 3.2Å; L206-Y278 HydrophobicContact CD2-CD1 3.95Å; L206-Y278 HydrophobicContact CD2-CE1 4.11Å; A256-Y278 HydrophobicContact CB-CE1 4.43Å; E257-Y278 PolarHBondContact OE1-OH 3.33Å; K260-Y278 HydrophobicContact CD-CE2 4.19Å; K260-Y278 PolarHBondContact NZ-OH 3.06Å
279A89.9Confident86.3Confident6 Ų668.4 Ų68.45%0.0535%0.349CS..EExtended strand (participates in β ladder)trans-70.3147.4176.600000110T201 S202 N205 F247 K277T201-A279 CarbonylContact C-O 3.52Å; T201-A279 VanDerWaalsContact CA-O 3.24Å; T201-A279 WeakPolarHBondContact CA-O 3.47Å; T201-A279 WeakPolarHBondContact CB-O 3.45Å; S202-A279 PolarHBondContact N-O 3.02Å; S202-A279 PolarHBondContact OG-O 2.96Å; N205-A279 HydrophobicContact CB-CB 4.07Å; N205-A279 PolarHBondContact O-N 2.82Å; F247-A279 HydrophobicContact CD1-CB 4.12Å; F247-A279 HydrophobicContact CE1-CB 4.23Å; K277-A279 PolarHBondContact O-N 3.4Å
280Y85.5Confident86.9Confident122 Ų12266.8 Ų66.848%0.47833%0.333SS..EExtended strand (participates in β ladder)trans-69.9130.5165.7-67.8-76.8000108.9K197 S198 T201K197-Y280 HydrophobicContact CG-CD1 4.19Å; K197-Y280 HydrophobicContact CG-CE1 4.37Å; K197-Y280 HydrophobicContact CG-CG 4.37Å; S198-Y280 WeakPolarHBondContact O-CD1 3.26Å; T201-Y280 HydrophobicContact CG2-CD1 3.77Å; T201-Y280 HydrophobicContact CG2-CE1 3.77Å; T201-Y280 HydrophobicContact CG2-CG 4.41Å
281E80.4Confident87.6Confident65 Ų6562.7 Ų62.730%0.30431%0.311SS..PPolyproline II helixtrans-75.9131.1174.7-165.7144.2-163.500109.4S198 V200 K284S198-E281 PolarHBondContact OG-O 3.05Å; V200-E281 PolarHBondContact O-N 3.32Å; V200-E281 VanDerWaalsContact O-N 3.09Å; E281-K284 WeakPolarHBondContact OE1-CE 3.39Å; E281-K284 IonicContact OE1-NZ 2.61Å; E281-K284 PolarHBondContact OE1-NZ 3.44Å
282N76.8Confident88.2Confident66 Ų6662 Ų6235%0.35329%0.287SS..PPolyproline II helixtrans-81.2142.1170-63.5-37.9000107.9K284 D367N282-K284 PolarHBondContact O-N 3.18Å; N282-D367 HydrophobicContact CB-CB 4.1Å; N282-D367 PolarHBondContact ND2-OD2 3.48Å
283E80.2Confident88.4Confident124 Ų12459.9 Ų59.958%0.57928%0.283SS*.PPolyproline II helixtrans-59.2130.5168.1-68.2175.5-132.500109.5K368E283-K368 HydrophobicContact CB-CB 4.46Å; E283-K368 HydrophobicContact CB-CD 3.68Å; E283-K368 HydrophobicContact CB-CG 4.15Å; E283-K368 WeakPolarHBondContact O-CB 3.34Å; E283-K368 WeakPolarHBondContact O-CG 3.19Å; E283-K368 PolarHBondContact O-N 3.42Å; E283-K368 WeakPolarHBondContact OE2-CD 3.32Å; E283-K368 WeakPolarHBondContact OE2-CE 3.12Å; E283-K368 IonicContact OE2-NZ 2.62Å; E283-K368 PolarHBondContact OE2-NZ 3.16Å
284K83.4Confident88.6Confident103 Ų10350.9 Ų50.945%0.44824%0.244SC..EExtended strand (participates in β ladder)trans-85142.9177.3-66160.5-164.7156.30110.3E281 N282 A286 L365 A366 K368E281-K284 WeakPolarHBondContact OE1-CE 3.39Å; E281-K284 IonicContact OE1-NZ 2.61Å; E281-K284 PolarHBondContact OE1-NZ 3.44Å; N282-K284 PolarHBondContact O-N 3.18Å; K284-A286 PolarHBondContact O-N 3.04Å; K284-L365 HydrophobicContact CB-CB 4.09Å; K284-L365 HydrophobicContact CD-CB 4.43Å; K284-L365 HydrophobicContact CG-CB 4.43Å; K284-A366 CarbonylContact C-O 3.6Å; K284-A366 WeakPolarHBondContact CA-O 3.32Å; K284-K368 WeakPolarHBondContact O-CE 3.18Å
285D87Confident88.3Confident39 Ų3950.7 Ų50.721%0.20924%0.244CC..EExtended strand (participates in β ladder)trans-88.299.4172.7-176.9-2000108.1L287 N288 A366 K368D285-L287 PolarHBondContact O-N 3.03Å; D285-L287 PolarHBondContact OD1-N 3.02Å; D285-N288 HydrophobicContact CB-CB 3.91Å; D285-N288 VanDerWaalsContact CG-CB 3.48Å; D285-N288 PolarHBondContact O-N 2.97Å; D285-N288 VanDerWaalsContact OD2-CB 3.29Å; D285-N288 WeakPolarHBondContact OD2-CB 3.33Å; D285-A366 PolarHBondContact N-O 2.78Å; D285-K368 HydrophobicContact CB-CG 3.9Å
286A89.5Confident87.9Confident38 Ų3857.6 Ų57.631%0.31426%0.263SS..EExtended strand (participates in β ladder)trans-61.3-15.4-175.400000113.7K284 A337 A340K284-A286 PolarHBondContact O-N 3.04Å; A286-A337 HydrophobicContact CB-CB 3.87Å; A286-A337 WeakPolarHBondContact O-CA 3.38Å; A286-A340 VanDerWaalsContact O-CB 3.24Å; A286-A340 WeakPolarHBondContact O-CB 3.37Å
287L92Very high87.3Confident49 Ų4965.3 Ų65.326%0.25730%0.298SS..EExtended strand (participates in β ladder)trans-91.2-6.7176.4-61.6177.3000113.5D285 R333 F334 T336 A337D285-L287 PolarHBondContact O-N 3.03Å; D285-L287 PolarHBondContact OD1-N 3.02Å; L287-R333 HydrophobicContact CB-CG 4.3Å; L287-R333 CarbonylContact O-C 3.5Å; L287-R333 VanDerWaalsContact O-CA 3.3Å; L287-R333 WeakPolarHBondContact O-CA 3.42Å; L287-R333 WeakPolarHBondContact O-CG 3.36Å; L287-F334 PolarHBondContact O-N 3.5Å; L287-T336 VanDerWaalsContact CD2-C 3.46Å; L287-A337 HydrophobicContact CD2-CB 4.38Å
288N93.4Very high86.4Confident27 Ų2762.6 Ų62.614%0.14431%0.308CS..EExtended strand (participates in β ladder)trans-129.1114.1-163.3-174.411.6000111.2D285 A366D285-N288 HydrophobicContact CB-CB 3.91Å; D285-N288 VanDerWaalsContact CG-CB 3.48Å; D285-N288 PolarHBondContact O-N 2.97Å; D285-N288 VanDerWaalsContact OD2-CB 3.29Å; D285-N288 WeakPolarHBondContact OD2-CB 3.33Å; N288-A366 HydrophobicContact CB-CB 4.17Å; N288-A366 VanDerWaalsContact O-CB 3.25Å; N288-A366 WeakPolarHBondContact O-CB 3.48Å; N288-A366 PolarHBondContact O-N 3.03Å
289V93.8Very high85.9Confident0 Ų061 Ų610%030%0.302CS..EExtended strand (participates in β ladder)trans-94124.1-179.9-178.30000110V291 F308 F331 V332 F334 A340 V344 C363V289-V291 HydrophobicContact CG1-CG2 4.05Å; V289-F308 HydrophobicContact CG1-CE1 4.13Å; V289-F331 CarbonylContact O-C 3.56Å; V289-F331 WeakPolarHBondContact O-CA 3.33Å; V289-V332 HydrophobicContact CB-CB 4.48Å; V289-V332 PolarHBondContact N-O 3.17Å; V289-V332 PolarHBondContact O-N 3.13Å; V289-F334 HydrophobicContact CB-CE2 4.47Å; V289-F334 HydrophobicContact CG2-CD2 3.95Å; V289-F334 HydrophobicContact CG2-CE2 3.79Å; V289-A340 HydrophobicContact CG2-CB 3.7Å; V289-A340 WeakPolarHBondContact CG2-O 3.37Å; V289-V344 HydrophobicContact CB-CG2 4.34Å; V289-V344 HydrophobicContact CG1-CG2 3.65Å; V289-V344 HydrophobicContact CG2-CG2 3.84Å; V289-C363 HydrophobicContact CG1-CB 3.99Å
290Y92.7Very high85.7Confident62 Ų6262.7 Ų62.724%0.24331%0.314CS..EExtended strand (participates in β ladder)trans-88.4120.2169.8175.5-121000109.8R292 I329 F331 C363 K364Y290-R292 HydrophobicContact CD1-CG 4.11Å; Y290-R292 VanDerWaalsContact CE1-CD 3.48Å; Y290-R292 HydrophobicContact CE1-CG 3.46Å; Y290-R292 VanDerWaalsContact CE1-CG 3.46Å; Y290-R292 HydrophobicContact CE2-CG 4.38Å; Y290-I329 HydrophobicContact CD2-CG2 4.11Å; Y290-I329 HydrophobicContact CE2-CG2 3.26Å; Y290-F331 HydrophobicContact CD2-CD1 4.04Å; Y290-F331 AromaticContact CD2-CE1 3.48Å; Y290-F331 HydrophobicContact CD2-CE1 3.48Å; Y290-F331 VanDerWaalsContact CD2-CE1 3.48Å; Y290-F331 HydrophobicContact CD2-CE2 4.18Å; Y290-F331 AromaticContact CD2-CZ 3.56Å; Y290-F331 HydrophobicContact CD2-CZ 3.56Å; Y290-F331 HydrophobicContact CE2-CE1 4.2Å; Y290-F331 HydrophobicContact CE2-CE2 4.32Å; Y290-F331 AromaticContact CE2-CZ 3.81Å; Y290-F331 HydrophobicContact CE2-CZ 3.81Å; Y290-F331 HydrophobicContact CG-CE1 4.27Å; Y290-C363 WeakPolarHBondContact O-CA 3.39Å; Y290-K364 PolarHBondContact N-O 2.62Å; Y290-K364 PolarHBondContact O-N 3.34Å
291V91.8Very high85.9Confident0 Ų060.7 Ų60.70%031%0.308CS..EExtended strand (participates in β ladder)trans-112.6126.4-174.2-168.80000109V289 L294 L304 F308 I329 G330 V332 I361V289-V291 HydrophobicContact CG1-CG2 4.05Å; V291-L294 HydrophobicContact CB-CD1 4.24Å; V291-L294 HydrophobicContact CG1-CD1 3.92Å; V291-L294 HydrophobicContact CG1-CD2 3.82Å; V291-L294 HydrophobicContact CG1-CG 3.98Å; V291-L304 HydrophobicContact CG1-CD1 4.27Å; V291-F308 HydrophobicContact CB-CZ 4.3Å; V291-F308 HydrophobicContact CG1-CE2 4.1Å; V291-F308 HydrophobicContact CG1-CZ 3.82Å; V291-F308 HydrophobicContact CG2-CE1 3.88Å; V291-F308 HydrophobicContact CG2-CE2 3.99Å; V291-F308 HydrophobicContact CG2-CZ 3.41Å; V291-F308 VanDerWaalsContact CG2-CZ 3.41Å; V291-I329 CarbonylContact O-C 3.53Å; V291-I329 WeakPolarHBondContact O-CA 3.44Å; V291-G330 PolarHBondContact N-O 3.42Å; V291-G330 PolarHBondContact O-N 3.02Å; V291-V332 HydrophobicContact CG2-CG2 3.97Å; V291-I361 HydrophobicContact CG1-CG2 3.63Å
292R89.4Confident86.4Confident52 Ų5263.1 Ų63.120%0.19632%0.319CS..EExtended strand (participates in β ladder)trans-120.6163.6176.3-61.5-177.3-66.8-169.810111.3S232 Y290 T362S232-R292 PolarHBondContact OG-NH1 3.15Å; Y290-R292 HydrophobicContact CD1-CG 4.11Å; Y290-R292 VanDerWaalsContact CE1-CD 3.48Å; Y290-R292 HydrophobicContact CE1-CG 3.46Å; Y290-R292 VanDerWaalsContact CE1-CG 3.46Å; Y290-R292 HydrophobicContact CE2-CG 4.38Å; R292-T362 PolarHBondContact N-O 2.72Å; R292-T362 PolarHBondContact NE-OG1 2.91Å; R292-T362 PolarHBondContact NH2-OG1 3.19Å; R292-T362 PolarHBondContact O-N 3.01Å
293N87.5Confident87Confident55 Ų5564 Ų6429%0.29432%0.322SS..  trans64.447.5176.1-155.1103.2000111.7G328 K359 P360N293-G328 PolarHBondContact N-O 3.35Å; N293-K359 VanDerWaalsContact CG-CB 3.49Å; N293-K359 WeakPolarHBondContact ND2-CB 3.48Å; N293-K359 PolarHBondContact ND2-O 3.34Å; N293-K359 VanDerWaalsContact OD1-CB 3.24Å; N293-K359 WeakPolarHBondContact OD1-CB 3.41Å; N293-K359 WeakPolarHBondContact OD1-CD 3.42Å; N293-P360 WeakPolarHBondContact CB-O 3.33Å
294L88.3Confident87.5Confident6 Ų658.1 Ų58.13%0.03130%0.295CS..  trans-88.7145.6167-59.8167.9000108.4V291 F299 L304 F326 G328 I361V291-L294 HydrophobicContact CB-CD1 4.24Å; V291-L294 HydrophobicContact CG1-CD1 3.92Å; V291-L294 HydrophobicContact CG1-CD2 3.82Å; V291-L294 HydrophobicContact CG1-CG 3.98Å; L294-F299 HydrophobicContact CB-CD1 4.04Å; L294-F299 HydrophobicContact CB-CE1 4.02Å; L294-F299 HydrophobicContact CD1-CD1 4.4Å; L294-F299 HydrophobicContact CD1-CE1 3.79Å; L294-F299 HydrophobicContact CD1-CZ 4.5Å; L294-F299 HydrophobicContact CD2-CE1 3.8Å; L294-F299 HydrophobicContact CD2-CE2 4.39Å; L294-F299 HydrophobicContact CD2-CZ 3.69Å; L294-F299 HydrophobicContact CG-CE1 4.07Å; L294-F299 HydrophobicContact CG-CZ 4.46Å; L294-L304 HydrophobicContact CD1-CD1 3.99Å; L294-L304 HydrophobicContact CD1-CD2 4.05Å; L294-L304 HydrophobicContact CD2-CD1 4.06Å; L294-F326 HydrophobicContact CB-CE1 3.79Å; L294-F326 HydrophobicContact CB-CZ 3.94Å; L294-F326 HydrophobicContact CD1-CZ 3.96Å; L294-G328 PolarHBondContact N-O 3.43Å; L294-G328 WeakPolarHBondContact O-CA 3.3Å; L294-I361 HydrophobicContact CD2-CD1 4.22Å; L294-I361 HydrophobicContact CD2-CG1 4.11Å
295P84Confident87.9Confident7 Ų756.1 Ų56.15%0.04529%0.287CS..  trans-60.4140.5178.816.5-22.5000111.1E297 F299 F326 V354 G356P295-E297 VanDerWaalsContact C-N 3.34Å; P295-F299 HydrophobicContact CG-CB 4.02Å; P295-F299 HydrophobicContact CG-CD2 3.74Å; P295-F299 HydrophobicContact CG-CG 4.08Å; P295-F299 VanDerWaalsContact O-CB 3.25Å; P295-F299 WeakPolarHBondContact O-CB 3.41Å; P295-F326 VanDerWaalsContact O-CD1 3.29Å; P295-F326 WeakPolarHBondContact O-CD1 3.34Å; P295-F326 VanDerWaalsContact O-CE1 3.3Å; P295-F326 WeakPolarHBondContact O-CE1 3.24Å; P295-V354 HydrophobicContact CG-CB 3.92Å; P295-V354 HydrophobicContact CG-CG1 3.77Å; P295-G356 WeakPolarHBondContact CB-O 3.35Å
296R81.8Confident88.1Confident191 Ų19158 Ų5872%0.72130%0.303SS*.SBendtrans-77.5-22.1-176.6-69.5-175.2177.8172.82113.4
297E79.2Confident88.2Confident173 Ų17357.7 Ų57.781%0.80830%0.296SS*.SBendtrans-115.7146.9-177.5-60.9-177.2-173.600109.5P295 F299P295-E297 VanDerWaalsContact C-N 3.34Å; E297-F299 PolarHBondContact O-N 2.96Å
298G74.3Confident88.1Confident77 Ų7755.3 Ų55.379%0.79428%0.284SS*.SBendtrans67.9-15.5178.800000117
299F82.5Confident88.1Confident18 Ų1860.1 Ų60.18%0.07931%0.305CS..  trans-81.1121.3-174.7-159-104000112.9L294 P295 E297 M303 L304 L307 L319 F326 V354L294-F299 HydrophobicContact CB-CD1 4.04Å; L294-F299 HydrophobicContact CB-CE1 4.02Å; L294-F299 HydrophobicContact CD1-CD1 4.4Å; L294-F299 HydrophobicContact CD1-CE1 3.79Å; L294-F299 HydrophobicContact CD1-CZ 4.5Å; L294-F299 HydrophobicContact CD2-CE1 3.8Å; L294-F299 HydrophobicContact CD2-CE2 4.39Å; L294-F299 HydrophobicContact CD2-CZ 3.69Å; L294-F299 HydrophobicContact CG-CE1 4.07Å; L294-F299 HydrophobicContact CG-CZ 4.46Å; P295-F299 HydrophobicContact CG-CB 4.02Å; P295-F299 HydrophobicContact CG-CD2 3.74Å; P295-F299 HydrophobicContact CG-CG 4.08Å; P295-F299 VanDerWaalsContact O-CB 3.25Å; P295-F299 WeakPolarHBondContact O-CB 3.41Å; E297-F299 PolarHBondContact O-N 2.96Å; F299-M303 HydrophobicContact CD2-CB 4.37Å; F299-M303 HydrophobicContact CD2-CG 4.1Å; F299-M303 HydrophobicContact CD2-SD 3.47Å; F299-M303 WeakPolarHBondContact CD2-SD 3.33Å; F299-M303 HydrophobicContact CE2-CB 4.07Å; F299-M303 HydrophobicContact CE2-CG 3.67Å; F299-M303 HydrophobicContact CE2-SD 3.57Å; F299-M303 VanDerWaalsContact CE2-SD 3.57Å; F299-M303 HydrophobicContact CZ-CB 4.42Å; F299-M303 HydrophobicContact CZ-CG 4.36Å; F299-L304 HydrophobicContact CE1-CB 3.71Å; F299-L304 HydrophobicContact CE1-CD1 4.1Å; F299-L304 HydrophobicContact CE1-CG 4.32Å; F299-L304 HydrophobicContact CZ-CB 3.88Å; F299-L304 HydrophobicContact CZ-CD1 4.01Å; F299-L307 HydrophobicContact CE2-CD1 3.86Å; F299-L307 HydrophobicContact CZ-CD1 3.99Å; F299-L319 HydrophobicContact CD1-CD2 4.49Å; F299-L319 HydrophobicContact CE1-CD2 4.35Å; F299-F326 HydrophobicContact CB-CE1 4.34Å; F299-F326 AromaticContact CD1-CE1 3.89Å; F299-F326 HydrophobicContact CD1-CE1 3.89Å; F299-F326 HydrophobicContact CD1-CZ 4.26Å; F299-F326 HydrophobicContact CG-CE1 4.5Å; F299-V354 HydrophobicContact CD2-CG1 4.2Å; F299-V354 HydrophobicContact CE2-CG1 4.13Å; F299-V354 HydrophobicContact CE2-CG2 4.43Å
300S86.6Confident88Confident42 Ų4266.1 Ų66.129%0.29433%0.331SS..  trans-108.3167-177.8910000112.9E302 M303 L304S300-E302 VanDerWaalsContact C-N 3.26Å; S300-E302 WeakPolarHBondContact CB-OE2 3.23Å; S300-E302 PolarHBondContact O-N 3.45Å; S300-E302 PolarHBondContact OG-N 2.82Å; S300-E302 PolarHBondContact OG-OE2 3.25Å; S300-M303 PolarHBondContact O-N 3.45Å; S300-M303 PolarHBondContact OG-N 2.85Å; S300-L304 PolarHBondContact O-N 2.67Å
301K90.1Very high87.9Confident81 Ų8164.4 Ų64.435%0.35233%0.325SS..Hα-helixtrans-60.5-41.1175.8173.3-169.2166-79.80110.5M303 L304 E305 V317 L319K301-M303 VanDerWaalsContact C-N 3.34Å; K301-L304 WeakPolarHBondContact O-CB 3.47Å; K301-L304 PolarHBondContact O-N 2.99Å; K301-E305 WeakPolarHBondContact CE-OE2 3.34Å; K301-E305 IonicContact NZ-OE2 3.94Å; K301-E305 PolarHBondContact NZ-OE2 2.78Å; K301-E305 PolarHBondContact O-N 2.98Å; K301-V317 WeakPolarHBondContact CE-O 3.43Å; K301-V317 HydrophobicContact CG-CB 3.98Å; K301-V317 HydrophobicContact CG-CG1 3.88Å; K301-L319 HydrophobicContact CB-CG 4.49Å
302E90.3Very high87.9Confident116 Ų11665.1 Ų65.154%0.54233%0.332SS..Hα-helixtrans-66.8-36.7-177.2-54.166.1-138.100110.8S300 E305 S306S300-E302 VanDerWaalsContact C-N 3.26Å; S300-E302 WeakPolarHBondContact CB-OE2 3.23Å; S300-E302 PolarHBondContact O-N 3.45Å; S300-E302 PolarHBondContact OG-N 2.82Å; S300-E302 PolarHBondContact OG-OE2 3.25Å; E302-E305 PolarHBondContact O-N 2.89Å; E302-S306 WeakPolarHBondContact O-CB 3.45Å; E302-S306 PolarHBondContact O-N 2.85Å
303M88.9Confident88.1Confident84 Ų8468.7 Ų68.741%0.41435%0.351SS..Hα-helixtrans-65.8-38.6172.7-167.5178-66.900111.7F299 S300 K301 L307 V354F299-M303 HydrophobicContact CD2-CB 4.37Å; F299-M303 HydrophobicContact CD2-CG 4.1Å; F299-M303 HydrophobicContact CD2-SD 3.47Å; F299-M303 WeakPolarHBondContact CD2-SD 3.33Å; F299-M303 HydrophobicContact CE2-CB 4.07Å; F299-M303 HydrophobicContact CE2-CG 3.67Å; F299-M303 HydrophobicContact CE2-SD 3.57Å; F299-M303 VanDerWaalsContact CE2-SD 3.57Å; F299-M303 HydrophobicContact CZ-CB 4.42Å; F299-M303 HydrophobicContact CZ-CG 4.36Å; S300-M303 PolarHBondContact O-N 3.45Å; S300-M303 PolarHBondContact OG-N 2.85Å; K301-M303 VanDerWaalsContact C-N 3.34Å; M303-L307 HydrophobicContact CG-CD1 4.32Å; M303-L307 WeakPolarHBondContact O-CB 3.23Å; M303-L307 VanDerWaalsContact O-CG 3.25Å; M303-L307 WeakPolarHBondContact O-CG 3.44Å; M303-L307 PolarHBondContact O-N 3.47Å; M303-V354 HydrophobicContact SD-CG1 4.41Å
304L90.7Very high88.4Confident0 Ų066.9 Ų66.90%034%0.342CS..Hα-helixtrans-67.2-40.1173.1-170.857.5000112V291 L294 F299 S300 K301 L307 F308 V317 L319 V332V291-L304 HydrophobicContact CG1-CD1 4.27Å; L294-L304 HydrophobicContact CD1-CD1 3.99Å; L294-L304 HydrophobicContact CD1-CD2 4.05Å; L294-L304 HydrophobicContact CD2-CD1 4.06Å; F299-L304 HydrophobicContact CE1-CB 3.71Å; F299-L304 HydrophobicContact CE1-CD1 4.1Å; F299-L304 HydrophobicContact CE1-CG 4.32Å; F299-L304 HydrophobicContact CZ-CB 3.88Å; F299-L304 HydrophobicContact CZ-CD1 4.01Å; S300-L304 PolarHBondContact O-N 2.67Å; K301-L304 WeakPolarHBondContact O-CB 3.47Å; K301-L304 PolarHBondContact O-N 2.99Å; L304-L307 PolarHBondContact O-N 2.83Å; L304-F308 HydrophobicContact CD1-CD2 3.68Å; L304-F308 HydrophobicContact CD1-CE2 3.45Å; L304-F308 VanDerWaalsContact CD1-CE2 3.45Å; L304-F308 HydrophobicContact CD1-CZ 4.49Å; L304-F308 HydrophobicContact CG-CD2 4.39Å; L304-F308 WeakPolarHBondContact O-CD2 3.43Å; L304-F308 PolarHBondContact O-N 2.76Å; L304-V317 HydrophobicContact CB-CG1 3.97Å; L304-V317 HydrophobicContact CD2-CG1 3.65Å; L304-V317 HydrophobicContact CG-CG1 3.9Å; L304-L319 HydrophobicContact CB-CD2 4.32Å; L304-L319 HydrophobicContact CD2-CD2 3.46Å; L304-L319 VanDerWaalsContact CD2-CD2 3.46Å; L304-V332 HydrophobicContact CD1-CG2 4.26Å; L304-V332 HydrophobicContact CD2-CG2 3.91Å; L304-V332 HydrophobicContact CG-CG2 3.83Å
305E92.9Very high88.6Confident62 Ų6270.4 Ų70.429%0.2936%0.364SS..Hα-helixtrans-61.6-51.8177.8-156.3156.2135.600110.7K301 E302 L307 F308 Q309 V314 V317K301-E305 WeakPolarHBondContact CE-OE2 3.34Å; K301-E305 IonicContact NZ-OE2 3.94Å; K301-E305 PolarHBondContact NZ-OE2 2.78Å; K301-E305 PolarHBondContact O-N 2.98Å; E302-E305 PolarHBondContact O-N 2.89Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 PolarHBondContact O-N 3.26Å; E305-F308 PolarHBondContact O-N 2.8Å; E305-F308 VanDerWaalsContact O-N 3.1Å; E305-Q309 VanDerWaalsContact O-CB 3.3Å; E305-Q309 WeakPolarHBondContact O-CB 3.38Å; E305-Q309 PolarHBondContact O-N 2.8Å; E305-V314 HydrophobicContact CG-CG1 4.28Å; E305-V317 HydrophobicContact CB-CG2 3.84Å; E305-V317 HydrophobicContact CG-CG2 3.71Å; E305-V317 WeakPolarHBondContact OE2-CG2 3.41Å
306S91.4Very high89Confident79 Ų7973.4 Ų73.455%0.55239%0.385SS*.Hα-helixtrans-58.2-40.8176-178.80000113.1E302 F308E302-S306 WeakPolarHBondContact O-CB 3.45Å; E302-S306 PolarHBondContact O-N 2.85Å; S306-F308 PolarHBondContact O-N 2.88Å
307L89.8Confident89.5Confident30 Ų3064.8 Ų64.816%0.15735%0.354CS..Hα-helixtrans-66.2-21.2177.9-79.8170.8000114.1F299 M303 L304 E305 K310 M347 V354F299-L307 HydrophobicContact CE2-CD1 3.86Å; F299-L307 HydrophobicContact CZ-CD1 3.99Å; M303-L307 HydrophobicContact CG-CD1 4.32Å; M303-L307 WeakPolarHBondContact O-CB 3.23Å; M303-L307 VanDerWaalsContact O-CG 3.25Å; M303-L307 WeakPolarHBondContact O-CG 3.44Å; M303-L307 PolarHBondContact O-N 3.47Å; L304-L307 PolarHBondContact O-N 2.83Å; E305-L307 VanDerWaalsContact C-N 3.34Å; E305-L307 PolarHBondContact O-N 3.26Å; L307-K310 WeakPolarHBondContact O-CE 3.49Å; L307-M347 HydrophobicContact CB-CE 4.44Å; L307-V354 HydrophobicContact CD1-CG2 4.2Å
308F91.7Very high90.1Very high0 Ų063.2 Ų63.20%034%0.344CS..Hα-helixtrans-109.5-22-178.7-79.8-102.8000113.9V289 V291 L304 E305 S306 K310 F311 V314 V332 F334 A343 M347 C363V289-F308 HydrophobicContact CG1-CE1 4.13Å; V291-F308 HydrophobicContact CB-CZ 4.3Å; V291-F308 HydrophobicContact CG1-CE2 4.1Å; V291-F308 HydrophobicContact CG1-CZ 3.82Å; V291-F308 HydrophobicContact CG2-CE1 3.88Å; V291-F308 HydrophobicContact CG2-CE2 3.99Å; V291-F308 HydrophobicContact CG2-CZ 3.41Å; V291-F308 VanDerWaalsContact CG2-CZ 3.41Å; L304-F308 HydrophobicContact CD1-CD2 3.68Å; L304-F308 HydrophobicContact CD1-CE2 3.45Å; L304-F308 VanDerWaalsContact CD1-CE2 3.45Å; L304-F308 HydrophobicContact CD1-CZ 4.49Å; L304-F308 HydrophobicContact CG-CD2 4.39Å; L304-F308 WeakPolarHBondContact O-CD2 3.43Å; L304-F308 PolarHBondContact O-N 2.76Å; E305-F308 PolarHBondContact O-N 2.8Å; E305-F308 VanDerWaalsContact O-N 3.1Å; S306-F308 PolarHBondContact O-N 2.88Å; F308-K310 PolarHBondContact O-N 3.43Å; F308-K310 VanDerWaalsContact O-N 3.12Å; F308-F311 HydrophobicContact CD1-CD2 4.38Å; F308-F311 WeakPolarHBondContact O-CD2 3.3Å; F308-F311 PolarHBondContact O-N 3.35Å; F308-V314 HydrophobicContact CB-CG2 4.15Å; F308-V332 HydrophobicContact CB-CG1 3.82Å; F308-V332 HydrophobicContact CB-CG2 4.49Å; F308-V332 HydrophobicContact CD1-CB 4.33Å; F308-V332 HydrophobicContact CD1-CG1 4.12Å; F308-V332 HydrophobicContact CD1-CG2 4.28Å; F308-V332 HydrophobicContact CD2-CG2 4.19Å; F308-V332 HydrophobicContact CG-CB 4.43Å; F308-V332 HydrophobicContact CG-CG1 4.05Å; F308-V332 HydrophobicContact CG-CG2 4.04Å; F308-F334 HydrophobicContact CB-CZ 3.99Å; F308-F334 HydrophobicContact CD1-CE2 4.12Å; F308-F334 AromaticContact CD1-CZ 3.96Å; F308-F334 HydrophobicContact CD1-CZ 3.96Å; F308-F334 HydrophobicContact CG-CZ 4.49Å; F308-A343 HydrophobicContact CD1-CB 4.18Å; F308-A343 HydrophobicContact CE1-CB 4.49Å; F308-M347 HydrophobicContact CD2-CE 3.96Å; F308-M347 HydrophobicContact CE1-CE 4.21Å; F308-M347 HydrophobicContact CE2-CE 3.46Å; F308-M347 VanDerWaalsContact CE2-CE 3.46Å; F308-M347 HydrophobicContact CZ-CE 3.6Å; F308-M347 HydrophobicContact CZ-CG 4.39Å; F308-C363 VanDerWaalsContact CZ-SG 3.52Å
309Q91.8Very high90.9Very high127 Ų12760.7 Ų60.759%0.59331%0.312SS*.Hα-helixtrans-58.2-24.7177.1-171.5173.114.400113.4E305 F311 G312E305-Q309 VanDerWaalsContact O-CB 3.3Å; E305-Q309 WeakPolarHBondContact O-CB 3.38Å; E305-Q309 PolarHBondContact O-N 2.8Å; Q309-F311 PolarHBondContact O-N 2.82Å; Q309-G312 PolarHBondContact O-N 3.4Å
310K91.6Very high91.1Very high127 Ų12763.2 Ų63.255%0.55233%0.326SS*.THydrogen-bonded Turntrans-66.5-15.6173.258.2171.8170.5171.10115.1L307 F308L307-K310 WeakPolarHBondContact O-CE 3.49Å; F308-K310 PolarHBondContact O-N 3.43Å; F308-K310 VanDerWaalsContact O-N 3.12Å
311F91.4Very high91.1Very high25 Ų2567.9 Ų67.911%0.1134%0.343CS..THydrogen-bonded Turntrans-102.1-18.9178.7-52.1-69.2000113.5F308 Q309 F334 A343 Q346 M347F308-F311 HydrophobicContact CD1-CD2 4.38Å; F308-F311 WeakPolarHBondContact O-CD2 3.3Å; F308-F311 PolarHBondContact O-N 3.35Å; Q309-F311 PolarHBondContact O-N 2.82Å; F311-F334 HydrophobicContact CB-CE1 4.45Å; F311-F334 HydrophobicContact CB-CZ 4.43Å; F311-A343 HydrophobicContact CB-CB 3.69Å; F311-A343 HydrophobicContact CD2-CB 3.69Å; F311-A343 HydrophobicContact CE2-CB 4.49Å; F311-A343 HydrophobicContact CG-CB 3.79Å; F311-Q346 HydrophobicContact CD1-CB 4.26Å; F311-Q346 HydrophobicContact CE1-CB 3.63Å; F311-Q346 HydrophobicContact CZ-CB 4.37Å; F311-M347 HydrophobicContact CE2-CE 3.78Å; F311-M347 HydrophobicContact CZ-CB 4.42Å; F311-M347 HydrophobicContact CZ-CE 4.28Å; F311-M347 HydrophobicContact CZ-SD 4.47Å
312G91.4Very high90.5Very high15 Ų1567.5 Ų67.516%0.15535%0.348CS..SBendtrans169.9179.3-174.800000113.8Q309 V314Q309-G312 PolarHBondContact O-N 3.4Å; G312-V314 PolarHBondContact O-N 2.98Å
313H93.7Very high89.9Confident127 Ų12768.4 Ų68.459%0.58836%0.361SS*.  trans-80.1110.6-179.8-175.476.5000110.7T315 F334 A335H313-T315 PolarHBondContact O-N 2.9Å; H313-F334 WeakPolarHBondContact O-CA 3.24Å; H313-A335 HydrophobicContact CB-CB 4.27Å; H313-A335 PolarHBondContact O-N 2.78Å
314V94.2Very high89.1Confident17 Ų1770.7 Ų70.710%0.10338%0.38CS..EExtended strand (participates in β ladder)trans-82.7112.1-179.9178.80000110E305 F308 G312 V317 V332 R333 F334E305-V314 HydrophobicContact CG-CG1 4.28Å; F308-V314 HydrophobicContact CB-CG2 4.15Å; G312-V314 PolarHBondContact O-N 2.98Å; V314-V317 HydrophobicContact CG1-CG2 3.39Å; V314-V332 HydrophobicContact CB-CG1 4.47Å; V314-V332 HydrophobicContact CG1-CG1 3.73Å; V314-V332 HydrophobicContact CG2-CG1 3.89Å; V314-R333 CarbonylContact C-O 3.58Å; V314-F334 HydrophobicContact CG2-CD1 4.13Å; V314-F334 HydrophobicContact CG2-CE1 3.71Å; V314-F334 HydrophobicContact CG2-CZ 4.14Å
315T93.3Very high88.4Confident80 Ų8072.3 Ų72.349%0.49140%0.397SS..EExtended strand (participates in β ladder)trans-81.3-27.6178.7-45.70000112.8H313 R333 A335H313-T315 PolarHBondContact O-N 2.9Å; T315-R333 PolarHBondContact N-O 3.17Å; T315-A335 PolarHBondContact OG1-N 3.38Å
316S91.4Very high87.8Confident70 Ų7070.7 Ų70.749%0.4939%0.389SS..EExtended strand (participates in β ladder)trans-161.1137179.2-160.60000112.5R333S316-R333 PolarHBondContact N-O 3.41Å; S316-R333 PolarHBondContact O-N 3.23Å
317V93.2Very high87.3Confident10 Ų1068.4 Ų68.46%0.06137%0.372CS..EExtended strand (participates in β ladder)trans-120.8134.4171.7-176.90000109.8K301 L304 E305 V314 F331 V332K301-V317 WeakPolarHBondContact CE-O 3.43Å; K301-V317 HydrophobicContact CG-CB 3.98Å; K301-V317 HydrophobicContact CG-CG1 3.88Å; L304-V317 HydrophobicContact CB-CG1 3.97Å; L304-V317 HydrophobicContact CD2-CG1 3.65Å; L304-V317 HydrophobicContact CG-CG1 3.9Å; E305-V317 HydrophobicContact CB-CG2 3.84Å; E305-V317 HydrophobicContact CG-CG2 3.71Å; E305-V317 WeakPolarHBondContact OE2-CG2 3.41Å; V314-V317 HydrophobicContact CG1-CG2 3.39Å; V317-F331 WeakPolarHBondContact CA-O 3.33Å; V317-V332 HydrophobicContact CG1-CG2 4.45Å; V317-V332 HydrophobicContact CG2-CG1 4.5Å; V317-V332 HydrophobicContact CG2-CG2 4.49Å
318K91.6Very high87.1Confident140 Ų14067.2 Ų67.261%0.60937%0.367SS*.EExtended strand (participates in β ladder)trans-136.6117.7175.5-179.9170.1-178.3172.20111.7G330 F331K318-G330 CarbonylContact O-C 3.43Å; K318-G330 WeakPolarHBondContact O-CA 3.22Å; K318-F331 PolarHBondContact N-O 3.03Å; K318-F331 PolarHBondContact O-N 3.08Å
319L90.9Very high87Confident24 Ų2469.1 Ų69.113%0.12638%0.376CS..EExtended strand (participates in β ladder)trans-76.9146.3166.7-62.8-169000110.7F299 K301 L304 F326F299-L319 HydrophobicContact CD1-CD2 4.49Å; F299-L319 HydrophobicContact CE1-CD2 4.35Å; K301-L319 HydrophobicContact CB-CG 4.49Å; L304-L319 HydrophobicContact CB-CD2 4.32Å; L304-L319 HydrophobicContact CD2-CD2 3.46Å; L304-L319 VanDerWaalsContact CD2-CD2 3.46Å; L319-F326 HydrophobicContact CB-CD2 3.95Å; L319-F326 HydrophobicContact CB-CE2 3.61Å; L319-F326 HydrophobicContact CB-CZ 4.5Å; L319-F326 HydrophobicContact CD1-CD2 4.27Å; L319-F326 HydrophobicContact CD1-CE2 4.06Å; L319-F326 HydrophobicContact CD1-CZ 4.35Å; L319-F326 HydrophobicContact CD2-CE2 3.79Å; L319-F326 HydrophobicContact CD2-CZ 3.84Å; L319-F326 HydrophobicContact CG-CE2 4.01Å; L319-F326 HydrophobicContact CG-CZ 4.45Å
320L87.3Confident87Confident72 Ų7263 Ų6338%0.37735%0.348SS..EExtended strand (participates in β ladder)trans-97.8112173.1-177.164.2000109.9F326 T327 I329L320-F326 VanDerWaalsContact O-CD2 3.31Å; L320-F326 WeakPolarHBondContact O-CD2 3.41Å; L320-T327 HydrophobicContact CG-CG2 4.36Å; L320-T327 WeakPolarHBondContact O-CB 3.29Å; L320-T327 WeakPolarHBondContact O-CG2 3.38Å; L320-T327 PolarHBondContact O-N 3.08Å; L320-T327 PolarHBondContact O-OG1 3.1Å; L320-I329 HydrophobicContact CB-CB 4.33Å; L320-I329 HydrophobicContact CB-CG2 4.43Å; L320-I329 WeakPolarHBondContact CB-O 3.37Å; L320-I329 HydrophobicContact CD2-CB 4.41Å; L320-I329 HydrophobicContact CD2-CG2 4.23Å; L320-I329 PolarHBondContact N-O 3.47Å
321E85.3Confident87.1Confident139 Ų13960.1 Ų60.165%0.6534%0.335SS*.EExtended strand (participates in β ladder)trans-106.4151.1179.4-68.8166.2-140.800111.3F326E321-F326 HydrophobicContact CG-CD2 4.48Å
322T78.3Confident87.2Confident74 Ų7458.9 Ų58.945%0.45433%0.33SS..EExtended strand (participates in β ladder)trans-125.8169.5173.7-720000108.5T324 G325 T327T322-T324 PolarHBondContact O-N 3.27Å; T322-G325 PolarHBondContact N-O 2.9Å; T322-G325 PolarHBondContact O-N 3.14Å; T322-T327 WeakPolarHBondContact OG1-CG2 3.42Å
323V76.6Confident87.4Confident134 Ų13463.6 Ų63.681%0.81234%0.343SS*.THydrogen-bonded Turntrans-56.7-19.1179.4-62.10000114.3
324T73.8Confident87.5Confident132 Ų13257.6 Ų57.681%0.8132%0.316SS*.THydrogen-bonded Turntrans-93.73.1176.255.90000114.3T322T322-T324 PolarHBondContact O-N 3.27Å
325G75.6Confident87.4Confident35 Ų3559.2 Ų59.236%0.36133%0.33SS..EExtended strand (participates in β ladder)trans112.3-163.2-175.600000113.9T322T322-G325 PolarHBondContact N-O 2.9Å; T322-G325 PolarHBondContact O-N 3.14Å
326F80.6Confident87.4Confident27 Ų2758.1 Ų58.112%0.11832%0.324CS..EExtended strand (participates in β ladder)trans-68136.6-177.6177.8-127.9000112.1L294 P295 F299 L319 L320 E321 G328 I329L294-F326 HydrophobicContact CB-CE1 3.79Å; L294-F326 HydrophobicContact CB-CZ 3.94Å; L294-F326 HydrophobicContact CD1-CZ 3.96Å; P295-F326 VanDerWaalsContact O-CD1 3.29Å; P295-F326 WeakPolarHBondContact O-CD1 3.34Å; P295-F326 VanDerWaalsContact O-CE1 3.3Å; P295-F326 WeakPolarHBondContact O-CE1 3.24Å; F299-F326 HydrophobicContact CB-CE1 4.34Å; F299-F326 AromaticContact CD1-CE1 3.89Å; F299-F326 HydrophobicContact CD1-CE1 3.89Å; F299-F326 HydrophobicContact CD1-CZ 4.26Å; F299-F326 HydrophobicContact CG-CE1 4.5Å; L319-F326 HydrophobicContact CB-CD2 3.95Å; L319-F326 HydrophobicContact CB-CE2 3.61Å; L319-F326 HydrophobicContact CB-CZ 4.5Å; L319-F326 HydrophobicContact CD1-CD2 4.27Å; L319-F326 HydrophobicContact CD1-CE2 4.06Å; L319-F326 HydrophobicContact CD1-CZ 4.35Å; L319-F326 HydrophobicContact CD2-CE2 3.79Å; L319-F326 HydrophobicContact CD2-CZ 3.84Å; L319-F326 HydrophobicContact CG-CE2 4.01Å; L319-F326 HydrophobicContact CG-CZ 4.45Å; L320-F326 VanDerWaalsContact O-CD2 3.31Å; L320-F326 WeakPolarHBondContact O-CD2 3.41Å; E321-F326 HydrophobicContact CG-CD2 4.48Å; F326-G328 PolarHBondContact O-N 3.34Å; F326-I329 WeakPolarHBondContact CE2-O 3.25Å
327T81Confident87.5Confident32 Ų3256.4 Ų56.420%0.19631%0.314CS..EExtended strand (participates in β ladder)trans-83.4-8.5-173.961.10000114.6L320 T322L320-T327 HydrophobicContact CG-CG2 4.36Å; L320-T327 WeakPolarHBondContact O-CB 3.29Å; L320-T327 WeakPolarHBondContact O-CG2 3.38Å; L320-T327 PolarHBondContact O-N 3.08Å; L320-T327 PolarHBondContact O-OG1 3.1Å; T322-T327 WeakPolarHBondContact OG1-CG2 3.42Å
328G85Confident87.6Confident5 Ų562.7 Ų62.75%0.05234%0.343CS..EExtended strand (participates in β ladder)trans80.323.6-170.600000113.6N293 L294 F326N293-G328 PolarHBondContact N-O 3.35Å; L294-G328 PolarHBondContact N-O 3.43Å; L294-G328 WeakPolarHBondContact O-CA 3.3Å; F326-G328 PolarHBondContact O-N 3.34Å
329I89.5Confident87.7Confident39 Ų3958.4 Ų58.420%0.233%0.325CS..EExtended strand (participates in β ladder)trans-138.5132.8-172.4-59.6175.3000109.8Y290 V291 L320 F326Y290-I329 HydrophobicContact CD2-CG2 4.11Å; Y290-I329 HydrophobicContact CE2-CG2 3.26Å; V291-I329 CarbonylContact O-C 3.53Å; V291-I329 WeakPolarHBondContact O-CA 3.44Å; L320-I329 HydrophobicContact CB-CB 4.33Å; L320-I329 HydrophobicContact CB-CG2 4.43Å; L320-I329 WeakPolarHBondContact CB-O 3.37Å; L320-I329 HydrophobicContact CD2-CB 4.41Å; L320-I329 HydrophobicContact CD2-CG2 4.23Å; L320-I329 PolarHBondContact N-O 3.47Å; F326-I329 WeakPolarHBondContact CE2-O 3.25Å
330G91.7Very high87.8Confident0 Ų057.2 Ų57.20%032%0.319CS..EExtended strand (participates in β ladder)trans-136.3170.9178.400000113.4V291 K318V291-G330 PolarHBondContact N-O 3.42Å; V291-G330 PolarHBondContact O-N 3.02Å; K318-G330 CarbonylContact O-C 3.43Å; K318-G330 WeakPolarHBondContact O-CA 3.22Å
331F93.9Very high88.1Confident65 Ų6558.7 Ų58.729%0.28532%0.324SS..EExtended strand (participates in β ladder)trans-129.5137.3172.7-65.4-94.5000109V289 Y290 V317 K318 A366V289-F331 CarbonylContact O-C 3.56Å; V289-F331 WeakPolarHBondContact O-CA 3.33Å; Y290-F331 HydrophobicContact CD2-CD1 4.04Å; Y290-F331 AromaticContact CD2-CE1 3.48Å; Y290-F331 HydrophobicContact CD2-CE1 3.48Å; Y290-F331 VanDerWaalsContact CD2-CE1 3.48Å; Y290-F331 HydrophobicContact CD2-CE2 4.18Å; Y290-F331 AromaticContact CD2-CZ 3.56Å; Y290-F331 HydrophobicContact CD2-CZ 3.56Å; Y290-F331 HydrophobicContact CE2-CE1 4.2Å; Y290-F331 HydrophobicContact CE2-CE2 4.32Å; Y290-F331 AromaticContact CE2-CZ 3.81Å; Y290-F331 HydrophobicContact CE2-CZ 3.81Å; Y290-F331 HydrophobicContact CG-CE1 4.27Å; V317-F331 WeakPolarHBondContact CA-O 3.33Å; K318-F331 PolarHBondContact N-O 3.03Å; K318-F331 PolarHBondContact O-N 3.08Å; F331-A366 HydrophobicContact CD1-CB 4.1Å; F331-A366 HydrophobicContact CE1-CB 4.12Å
332V94Very high88.5Confident0 Ų056.6 Ų56.60%031%0.312CS..EExtended strand (participates in β ladder)trans-131.8111.9-179.2-179.80000108.2V289 V291 L304 F308 V314 V317 F334V289-V332 HydrophobicContact CB-CB 4.48Å; V289-V332 PolarHBondContact N-O 3.17Å; V289-V332 PolarHBondContact O-N 3.13Å; V291-V332 HydrophobicContact CG2-CG2 3.97Å; L304-V332 HydrophobicContact CD1-CG2 4.26Å; L304-V332 HydrophobicContact CD2-CG2 3.91Å; L304-V332 HydrophobicContact CG-CG2 3.83Å; F308-V332 HydrophobicContact CB-CG1 3.82Å; F308-V332 HydrophobicContact CB-CG2 4.49Å; F308-V332 HydrophobicContact CD1-CB 4.33Å; F308-V332 HydrophobicContact CD1-CG1 4.12Å; F308-V332 HydrophobicContact CD1-CG2 4.28Å; F308-V332 HydrophobicContact CD2-CG2 4.19Å; F308-V332 HydrophobicContact CG-CB 4.43Å; F308-V332 HydrophobicContact CG-CG1 4.05Å; F308-V332 HydrophobicContact CG-CG2 4.04Å; V314-V332 HydrophobicContact CB-CG1 4.47Å; V314-V332 HydrophobicContact CG1-CG1 3.73Å; V314-V332 HydrophobicContact CG2-CG1 3.89Å; V317-V332 HydrophobicContact CG1-CG2 4.45Å; V317-V332 HydrophobicContact CG2-CG1 4.5Å; V317-V332 HydrophobicContact CG2-CG2 4.49Å; V332-F334 HydrophobicContact CG1-CD2 4.27Å; V332-F334 HydrophobicContact CG1-CE2 3.76Å; V332-F334 HydrophobicContact CG1-CZ 4.08Å
333R94.1Very high89.2Confident114 Ų11453 Ų5343%0.4329%0.291SS..EExtended strand (participates in β ladder)trans-95.7126176.7-167.3-178.7-174.8-162.3-2.2110.3L287 V314 T315 S316L287-R333 HydrophobicContact CB-CG 4.3Å; L287-R333 CarbonylContact O-C 3.5Å; L287-R333 VanDerWaalsContact O-CA 3.3Å; L287-R333 WeakPolarHBondContact O-CA 3.42Å; L287-R333 WeakPolarHBondContact O-CG 3.36Å; V314-R333 CarbonylContact C-O 3.58Å; T315-R333 PolarHBondContact N-O 3.17Å; S316-R333 PolarHBondContact N-O 3.41Å; S316-R333 PolarHBondContact O-N 3.23Å
334F95.4Very high90Very high1 Ų147.9 Ų47.90%0.00426%0.259CS..EExtended strand (participates in β ladder)trans-95.6164.2174.6-72.6-87000112.1L287 V289 F308 F311 H313 V314 V332 Q339 A340 A343L287-F334 PolarHBondContact O-N 3.5Å; V289-F334 HydrophobicContact CB-CE2 4.47Å; V289-F334 HydrophobicContact CG2-CD2 3.95Å; V289-F334 HydrophobicContact CG2-CE2 3.79Å; F308-F334 HydrophobicContact CB-CZ 3.99Å; F308-F334 HydrophobicContact CD1-CE2 4.12Å; F308-F334 AromaticContact CD1-CZ 3.96Å; F308-F334 HydrophobicContact CD1-CZ 3.96Å; F308-F334 HydrophobicContact CG-CZ 4.49Å; F311-F334 HydrophobicContact CB-CE1 4.45Å; F311-F334 HydrophobicContact CB-CZ 4.43Å; H313-F334 WeakPolarHBondContact O-CA 3.24Å; V314-F334 HydrophobicContact CG2-CD1 4.13Å; V314-F334 HydrophobicContact CG2-CE1 3.71Å; V314-F334 HydrophobicContact CG2-CZ 4.14Å; V332-F334 HydrophobicContact CG1-CD2 4.27Å; V332-F334 HydrophobicContact CG1-CE2 3.76Å; V332-F334 HydrophobicContact CG1-CZ 4.08Å; F334-Q339 HydrophobicContact CB-CB 4.08Å; F334-Q339 HydrophobicContact CD1-CB 3.8Å; F334-Q339 HydrophobicContact CE1-CB 4.48Å; F334-Q339 HydrophobicContact CG-CB 4.07Å; F334-A340 HydrophobicContact CB-CB 4.28Å; F334-A340 HydrophobicContact CD2-CB 3.81Å; F334-A340 HydrophobicContact CG-CB 4.34Å; F334-A343 HydrophobicContact CE2-CB 3.68Å; F334-A343 HydrophobicContact CZ-CB 3.56Å
335A93.7Very high90.8Very high50 Ų5047.1 Ų47.141%0.41325%0.246SC..SBendtrans-70.6-35.3173.800000113.2H313 T315H313-A335 HydrophobicContact CB-CB 4.27Å; H313-A335 PolarHBondContact O-N 2.78Å; T315-A335 PolarHBondContact OG1-N 3.38Å
336T93.6Very high91.5Very high57 Ų5749.1 Ų49.135%0.3525%0.246SC..SBendtrans-127.2158.5-180730000111.9L287 Q339 A340L287-T336 VanDerWaalsContact CD2-C 3.46Å; T336-Q339 VanDerWaalsContact OG1-CG 3.26Å; T336-Q339 WeakPolarHBondContact OG1-CG 3.31Å; T336-Q339 PolarHBondContact OG1-N 3.49Å; T336-A340 PolarHBondContact O-N 2.79Å
337A93.4Very high92Very high35 Ų3547.9 Ų47.929%0.28924%0.241SC..Hα-helixtrans-70.2-42.3-179.700000112.1A286 L287 Q339 A340 E341A286-A337 HydrophobicContact CB-CB 3.87Å; A286-A337 WeakPolarHBondContact O-CA 3.38Å; L287-A337 HydrophobicContact CD2-CB 4.38Å; A337-Q339 VanDerWaalsContact C-N 3.26Å; A337-Q339 PolarHBondContact O-N 3.36Å; A337-A340 WeakPolarHBondContact O-CA 3.34Å; A337-A340 WeakPolarHBondContact O-CB 3.11Å; A337-A340 PolarHBondContact O-N 2.87Å; A337-E341 PolarHBondContact O-N 3.33Å
338E94.1Very high92.3Very high141 Ų14149 Ų4966%0.65925%0.246SC*.Hα-helixtrans-52.5-42.5175.2-172.3-16416100112.3E341 K342E338-E341 PolarHBondContact O-N 3.33Å; E338-K342 WeakPolarHBondContact O-CB 3.4Å; E338-K342 PolarHBondContact O-N 3.22Å
339Q93.7Very high92.3Very high50 Ų5055 Ų5523%0.23427%0.273CS..Hα-helixtrans-65.5-38176.5-72.717211.500112.4F334 T336 A337 A343F334-Q339 HydrophobicContact CB-CB 4.08Å; F334-Q339 HydrophobicContact CD1-CB 3.8Å; F334-Q339 HydrophobicContact CE1-CB 4.48Å; F334-Q339 HydrophobicContact CG-CB 4.07Å; T336-Q339 VanDerWaalsContact OG1-CG 3.26Å; T336-Q339 WeakPolarHBondContact OG1-CG 3.31Å; T336-Q339 PolarHBondContact OG1-N 3.49Å; A337-Q339 VanDerWaalsContact C-N 3.26Å; A337-Q339 PolarHBondContact O-N 3.36Å; Q339-A343 WeakPolarHBondContact O-CB 3.48Å; Q339-A343 PolarHBondContact O-N 2.86Å
340A93.5Very high91.9Very high0 Ų056.5 Ų56.50%029%0.291CS..Hα-helixtrans-70.4-41.417700000112.2A286 V289 F334 T336 A337 A343 V344 L365A286-A340 VanDerWaalsContact O-CB 3.24Å; A286-A340 WeakPolarHBondContact O-CB 3.37Å; V289-A340 HydrophobicContact CG2-CB 3.7Å; V289-A340 WeakPolarHBondContact CG2-O 3.37Å; F334-A340 HydrophobicContact CB-CB 4.28Å; F334-A340 HydrophobicContact CD2-CB 3.81Å; F334-A340 HydrophobicContact CG-CB 4.34Å; T336-A340 PolarHBondContact O-N 2.79Å; A337-A340 WeakPolarHBondContact O-CA 3.34Å; A337-A340 WeakPolarHBondContact O-CB 3.11Å; A337-A340 PolarHBondContact O-N 2.87Å; A340-A343 PolarHBondContact O-N 3.37Å; A340-V344 VanDerWaalsContact O-CG2 3.3Å; A340-V344 WeakPolarHBondContact O-CG2 3.48Å; A340-V344 PolarHBondContact O-N 2.83Å; A340-L365 HydrophobicContact CB-CD2 4.21Å
341E93.4Very high91.2Very high103 Ų10363.4 Ų63.448%0.48132%0.321SS..Hα-helixtrans-67.4-46.8177.8-70.1-179.3160.700111.1A337 E338 A343 V344 E345 L365A337-E341 PolarHBondContact O-N 3.33Å; E338-E341 PolarHBondContact O-N 3.33Å; E341-A343 VanDerWaalsContact C-N 3.3Å; E341-A343 PolarHBondContact O-N 2.81Å; E341-V344 WeakPolarHBondContact O-CA 3.49Å; E341-V344 WeakPolarHBondContact O-CB 3.39Å; E341-V344 PolarHBondContact O-N 2.89Å; E341-E345 PolarHBondContact O-N 2.93Å; E341-L365 HydrophobicContact CG-CD1 4.26Å; E341-L365 HydrophobicContact CG-CD2 4.3Å
342K93.4Very high90.4Very high94 Ų9463.6 Ų63.641%0.40932%0.322SS..Hα-helixtrans-58.7-38.1173-172.2173.3-173.5169.70112.9E338 Q346E338-K342 WeakPolarHBondContact O-CB 3.4Å; E338-K342 PolarHBondContact O-N 3.22Å; K342-Q346 HydrophobicContact CG-CG 4.45Å; K342-Q346 WeakPolarHBondContact O-CB 3.39Å; K342-Q346 WeakPolarHBondContact O-CG 3.37Å; K342-Q346 PolarHBondContact O-N 2.94Å
343A92.9Very high89.6Confident0 Ų068.5 Ų68.50%035%0.347CS..Hα-helixtrans-70.4-30.1173.900000113.4F308 F311 F334 Q339 A340 E341 M347F308-A343 HydrophobicContact CD1-CB 4.18Å; F308-A343 HydrophobicContact CE1-CB 4.49Å; F311-A343 HydrophobicContact CB-CB 3.69Å; F311-A343 HydrophobicContact CD2-CB 3.69Å; F311-A343 HydrophobicContact CE2-CB 4.49Å; F311-A343 HydrophobicContact CG-CB 3.79Å; F334-A343 HydrophobicContact CE2-CB 3.68Å; F334-A343 HydrophobicContact CZ-CB 3.56Å; Q339-A343 WeakPolarHBondContact O-CB 3.48Å; Q339-A343 PolarHBondContact O-N 2.86Å; A340-A343 PolarHBondContact O-N 3.37Å; E341-A343 VanDerWaalsContact C-N 3.3Å; E341-A343 PolarHBondContact O-N 2.81Å; A343-M347 WeakPolarHBondContact O-CB 3.17Å; A343-M347 PolarHBondContact O-N 3.5Å
344V92.7Very high88.7Confident25 Ų2563.7 Ų63.715%0.15233%0.331CS..Hα-helixtrans-72.3-46.4174.3165.50000110.7V289 A340 E341 N348 C363 L365V289-V344 HydrophobicContact CB-CG2 4.34Å; V289-V344 HydrophobicContact CG1-CG2 3.65Å; V289-V344 HydrophobicContact CG2-CG2 3.84Å; A340-V344 VanDerWaalsContact O-CG2 3.3Å; A340-V344 WeakPolarHBondContact O-CG2 3.48Å; A340-V344 PolarHBondContact O-N 2.83Å; E341-V344 WeakPolarHBondContact O-CA 3.49Å; E341-V344 WeakPolarHBondContact O-CB 3.39Å; E341-V344 PolarHBondContact O-N 2.89Å; V344-N348 WeakPolarHBondContact O-CB 3.37Å; V344-N348 VanDerWaalsContact O-CG 3.22Å; V344-N348 PolarHBondContact O-N 2.89Å; V344-N348 PolarHBondContact O-ND2 2.99Å; V344-C363 HydrophobicContact CB-CB 4.34Å; V344-C363 HydrophobicContact CG1-CB 4.46Å; V344-C363 HydrophobicContact CG2-CB 4.08Å; V344-L365 HydrophobicContact CG2-CD2 4.29Å
345E91.8Very high87.4Confident116 Ų11675.4 Ų75.454%0.54238%0.375SS..Hα-helixtrans-61-66.3178.3-175.2171.6-114.800110.7E341 M347 N348 E349E341-E345 PolarHBondContact O-N 2.93Å; E345-M347 VanDerWaalsContact C-N 3.31Å; E345-M347 PolarHBondContact O-N 2.76Å; E345-N348 PolarHBondContact O-N 2.79Å; E345-E349 WeakPolarHBondContact O-CG 3.33Å; E345-E349 PolarHBondContact O-N 3.05Å
346Q90.4Very high86.3Confident77 Ų7776.5 Ų76.536%0.3639%0.391SS..Hα-helixtrans-63.6-31.6-171.1-63.9-173.1-4.900113.7F311 K342 A350F311-Q346 HydrophobicContact CD1-CB 4.26Å; F311-Q346 HydrophobicContact CE1-CB 3.63Å; F311-Q346 HydrophobicContact CZ-CB 4.37Å; K342-Q346 HydrophobicContact CG-CG 4.45Å; K342-Q346 WeakPolarHBondContact O-CB 3.39Å; K342-Q346 WeakPolarHBondContact O-CG 3.37Å; K342-Q346 PolarHBondContact O-N 2.94Å; Q346-A350 WeakPolarHBondContact O-CB 3.27Å; Q346-A350 PolarHBondContact O-N 2.81Å
347M90Very high85.2Confident1 Ų174.4 Ų74.41%0.00538%0.381CS..Hα-helixtrans-74.3-34.6176.8-166.872.393.300112.4L307 F308 F311 A343 E345 K351 H352 I361L307-M347 HydrophobicContact CB-CE 4.44Å; F308-M347 HydrophobicContact CD2-CE 3.96Å; F308-M347 HydrophobicContact CE1-CE 4.21Å; F308-M347 HydrophobicContact CE2-CE 3.46Å; F308-M347 VanDerWaalsContact CE2-CE 3.46Å; F308-M347 HydrophobicContact CZ-CE 3.6Å; F308-M347 HydrophobicContact CZ-CG 4.39Å; F311-M347 HydrophobicContact CE2-CE 3.78Å; F311-M347 HydrophobicContact CZ-CB 4.42Å; F311-M347 HydrophobicContact CZ-CE 4.28Å; F311-M347 HydrophobicContact CZ-SD 4.47Å; A343-M347 WeakPolarHBondContact O-CB 3.17Å; A343-M347 PolarHBondContact O-N 3.5Å; E345-M347 VanDerWaalsContact C-N 3.31Å; E345-M347 PolarHBondContact O-N 2.76Å; M347-K351 PolarHBondContact O-N 3.38Å; M347-H352 HydrophobicContact SD-CB 3.93Å; M347-I361 HydrophobicContact CE-CD1 4.22Å; M347-I361 HydrophobicContact CG-CB 4.26Å; M347-I361 HydrophobicContact CG-CG2 3.84Å; M347-I361 HydrophobicContact SD-CD1 4.04Å
348N88.5Confident84.3Confident55 Ų5580.4 Ų80.429%0.29441%0.408SS..Hα-helixtrans-71.5-40.9174.9-77.4-37.3000111.5V344 E345 K351 T362 C363V344-N348 WeakPolarHBondContact O-CB 3.37Å; V344-N348 VanDerWaalsContact O-CG 3.22Å; V344-N348 PolarHBondContact O-N 2.89Å; V344-N348 PolarHBondContact O-ND2 2.99Å; E345-N348 PolarHBondContact O-N 2.79Å; N348-K351 VanDerWaalsContact O-CG 3.29Å; N348-K351 WeakPolarHBondContact O-CG 3.11Å; N348-K351 PolarHBondContact O-N 3.41Å; N348-T362 WeakPolarHBondContact OD1-CA 3.5Å; N348-C363 PolarHBondContact ND2-O 3.07Å; N348-C363 PolarHBondContact OD1-N 3.3Å; N348-C363 PolarHBondContact OD1-O 2.61Å
349E84.8Confident83.7Confident133 Ų13380 Ų8062%0.62140%0.404SS*.Hα-helixtrans-64.7-47.8177.1-70-178142.700112.1E345 K351E345-E349 WeakPolarHBondContact O-CG 3.33Å; E345-E349 PolarHBondContact O-N 3.05Å; E349-K351 PolarHBondContact O-N 3.3Å; E349-K351 VanDerWaalsContact O-N 3.1Å
350A81Confident83.3Confident70 Ų7079.9 Ų79.958%0.57941%0.407SS*.THydrogen-bonded Turntrans-65.1-12.6177.800000113.6Q346 H352Q346-A350 WeakPolarHBondContact O-CB 3.27Å; Q346-A350 PolarHBondContact O-N 2.81Å; A350-H352 PolarHBondContact O-N 2.93Å
351K77.5Confident83.1Confident145 Ų14580 Ų8063%0.6341%0.408SS*.THydrogen-bonded Turntrans43.940.3-178.3-66.6177.7-177.2171.50112.3M347 N348 E349 I353 P360M347-K351 PolarHBondContact O-N 3.38Å; N348-K351 VanDerWaalsContact O-CG 3.29Å; N348-K351 WeakPolarHBondContact O-CG 3.11Å; N348-K351 PolarHBondContact O-N 3.41Å; E349-K351 PolarHBondContact O-N 3.3Å; E349-K351 VanDerWaalsContact O-N 3.1Å; K351-I353 PolarHBondContact O-N 3.2Å; K351-I353 VanDerWaalsContact O-N 3.1Å; K351-P360 HydrophobicContact CB-CB 3.95Å; K351-P360 VanDerWaalsContact O-CB 3.29Å; K351-P360 WeakPolarHBondContact O-CB 3.48Å
352H76.9Confident82.8Confident68 Ų6877.2 Ų77.232%0.31540%0.398SS..  trans-65115.8-162.8-175.4-75000111.3M347 A350 I361M347-H352 HydrophobicContact SD-CB 3.93Å; A350-H352 PolarHBondContact O-N 2.93Å; H352-I361 WeakPolarHBondContact O-CG1 3.42Å; H352-I361 PolarHBondContact O-N 3.07Å
353I77.2Confident82.7Confident103 Ų10372.8 Ų72.853%0.52838%0.379SS..PPolyproline II helixtrans-88.6117.4174.6-56.7179.1000108.1K351 G357 P360K351-I353 PolarHBondContact O-N 3.2Å; K351-I353 VanDerWaalsContact O-N 3.1Å; I353-G357 WeakPolarHBondContact CG2-O 3.48Å; I353-P360 HydrophobicContact CG1-CB 4.39Å
354V75.1Confident82.6Confident14 Ų1476.7 Ų76.79%0.08540%0.396CS..PPolyproline II helixtrans-73.6142.5171.6-171.30000108.7P295 F299 M303 L307 G356 G357 I361P295-V354 HydrophobicContact CG-CB 3.92Å; P295-V354 HydrophobicContact CG-CG1 3.77Å; F299-V354 HydrophobicContact CD2-CG1 4.2Å; F299-V354 HydrophobicContact CE2-CG1 4.13Å; F299-V354 HydrophobicContact CE2-CG2 4.43Å; M303-V354 HydrophobicContact SD-CG1 4.41Å; L307-V354 HydrophobicContact CD1-CG2 4.2Å; V354-G356 PolarHBondContact O-N 3.02Å; V354-G356 VanDerWaalsContact O-N 3.15Å; V354-G357 PolarHBondContact O-N 3.39Å; V354-I361 HydrophobicContact CG2-CD1 3.63Å; V354-I361 HydrophobicContact CG2-CG1 4.01Å
355R68.9Low82.6Confident247 Ų24777.2 Ų77.293%0.93240%0.398SS*.THydrogen-bonded Turntrans-52.7122.8171.9-66.6-174.5177.6-137.10.6109.6
356G69.4Low82.4Confident72 Ų7271.8 Ų71.874%0.74237%0.373SS*.THydrogen-bonded Turntrans93.65.8-175.500000116.1P295 V354P295-G356 WeakPolarHBondContact CB-O 3.35Å; V354-G356 PolarHBondContact O-N 3.02Å; V354-G356 VanDerWaalsContact O-N 3.15Å
357G70.5Confident82.2Confident13 Ų1372.1 Ų72.113%0.13438%0.377CS..  trans-114135.4170.800000112.7I353 V354 K359I353-G357 WeakPolarHBondContact CG2-O 3.48Å; V354-G357 PolarHBondContact O-N 3.39Å; G357-K359 PolarHBondContact O-N 2.88Å
358D74.5Confident81.8Confident161 Ų16177.2 Ų77.286%0.86140%0.399SS*.SBendtrans-80.3-1.8-176.7-38.4-86.1000114.3
359K81.6Confident80.7Confident132 Ų13277.8 Ų77.857%0.57441%0.411SS*.SBendtrans-149.2154.1-164.2-78.6166.9-172.5170.60109.3N293 G357N293-K359 VanDerWaalsContact CG-CB 3.49Å; N293-K359 WeakPolarHBondContact ND2-CB 3.48Å; N293-K359 PolarHBondContact ND2-O 3.34Å; N293-K359 VanDerWaalsContact OD1-CB 3.24Å; N293-K359 WeakPolarHBondContact OD1-CB 3.41Å; N293-K359 WeakPolarHBondContact OD1-CD 3.42Å; G357-K359 PolarHBondContact O-N 2.88Å
360P86.2Confident79.6Confident48 Ų4874 Ų7431%0.31240%0.396SS..  trans-67.7150.217830.1-36.8000111.8N293 K351 I353N293-P360 WeakPolarHBondContact CB-O 3.33Å; K351-P360 HydrophobicContact CB-CB 3.95Å; K351-P360 VanDerWaalsContact O-CB 3.29Å; K351-P360 WeakPolarHBondContact O-CB 3.48Å; I353-P360 HydrophobicContact CG1-CB 4.39Å
361I87.6Confident78.4Confident3 Ų375 Ų752%0.01540%0.396CS..  trans-55.7140164.4-65169.8000108.6V291 L294 M347 H352 V354V291-I361 HydrophobicContact CG1-CG2 3.63Å; L294-I361 HydrophobicContact CD2-CD1 4.22Å; L294-I361 HydrophobicContact CD2-CG1 4.11Å; M347-I361 HydrophobicContact CE-CD1 4.22Å; M347-I361 HydrophobicContact CG-CB 4.26Å; M347-I361 HydrophobicContact CG-CG2 3.84Å; M347-I361 HydrophobicContact SD-CD1 4.04Å; H352-I361 WeakPolarHBondContact O-CG1 3.42Å; H352-I361 PolarHBondContact O-N 3.07Å; V354-I361 HydrophobicContact CG2-CD1 3.63Å; V354-I361 HydrophobicContact CG2-CG1 4.01Å
362T88.7Confident77.2Confident44 Ų4475.7 Ų75.727%0.2739%0.394SS..EExtended strand (participates in β ladder)trans-121.6128.6164.770.40000110.6R292 N348R292-T362 PolarHBondContact N-O 2.72Å; R292-T362 PolarHBondContact NE-OG1 2.91Å; R292-T362 PolarHBondContact NH2-OG1 3.19Å; R292-T362 PolarHBondContact O-N 3.01Å; N348-T362 WeakPolarHBondContact OD1-CA 3.5Å
363C90.8Very high76.1Confident1 Ų181 Ų811%0.00741%0.411CS..EExtended strand (participates in β ladder)trans-107.5143.6177.7-65.90000110.3V289 Y290 F308 V344 N348V289-C363 HydrophobicContact CG1-CB 3.99Å; Y290-C363 WeakPolarHBondContact O-CA 3.39Å; F308-C363 VanDerWaalsContact CZ-SG 3.52Å; V344-C363 HydrophobicContact CB-CB 4.34Å; V344-C363 HydrophobicContact CG1-CB 4.46Å; V344-C363 HydrophobicContact CG2-CB 4.08Å; N348-C363 PolarHBondContact ND2-O 3.07Å; N348-C363 PolarHBondContact OD1-N 3.3Å; N348-C363 PolarHBondContact OD1-O 2.61Å
364K90.7Very high74.8Confident82 Ų8284.5 Ų84.536%0.35742%0.418SS..EExtended strand (participates in β ladder)trans-143.9158.9164.6-67.4-163.6176.9-164.10108.8D249 Y290 A366D249-K364 IonicContact OD2-NZ 3.27Å; D249-K364 PolarHBondContact OD2-NZ 2.78Å; Y290-K364 PolarHBondContact N-O 2.62Å; Y290-K364 PolarHBondContact O-N 3.34Å; K364-A366 PolarHBondContact O-N 2.88Å
365L91.9Very high73.3Confident36 Ų3690.5 Ų90.519%0.18845%0.45CS..EExtended strand (participates in β ladder)trans-60.6138.4163.4-63.7177.2000109.4K284 A340 E341 V344K284-L365 HydrophobicContact CB-CB 4.09Å; K284-L365 HydrophobicContact CD-CB 4.43Å; K284-L365 HydrophobicContact CG-CB 4.43Å; A340-L365 HydrophobicContact CB-CD2 4.21Å; E341-L365 HydrophobicContact CG-CD1 4.26Å; E341-L365 HydrophobicContact CG-CD2 4.3Å; V344-L365 HydrophobicContact CG2-CD2 4.29Å
366A88.3Confident72.2Confident2 Ų282.5 Ų82.52%0.01744%0.436CS..EExtended strand (participates in β ladder)trans-78.6150.7-177.600000111.6K284 D285 N288 F331 K364K284-A366 CarbonylContact C-O 3.6Å; K284-A366 WeakPolarHBondContact CA-O 3.32Å; D285-A366 PolarHBondContact N-O 2.78Å; N288-A366 HydrophobicContact CB-CB 4.17Å; N288-A366 VanDerWaalsContact O-CB 3.25Å; N288-A366 WeakPolarHBondContact O-CB 3.48Å; N288-A366 PolarHBondContact O-N 3.03Å; F331-A366 HydrophobicContact CD1-CB 4.1Å; F331-A366 HydrophobicContact CE1-CB 4.12Å; K364-A366 PolarHBondContact O-N 2.88Å
367D85.7Confident70.8Confident84 Ų8481.9 Ų81.945%0.44942%0.424SS..EExtended strand (participates in β ladder)trans-63.4136.2168.7-67.9-15.3000110.6N282 A369N282-D367 HydrophobicContact CB-CB 4.1Å; N282-D367 PolarHBondContact ND2-OD2 3.48Å; D367-A369 PolarHBondContact O-N 2.84Å; D367-A369 VanDerWaalsContact O-N 3.11Å
368K81.5Confident69.2Low109 Ų10986.1 Ų86.147%0.47445%0.45SS..PPolyproline II helixtrans-55.8119.6170.4-72.4-174.9-165173.40109.4E283 K284 D285 D370E283-K368 HydrophobicContact CB-CB 4.46Å; E283-K368 HydrophobicContact CB-CD 3.68Å; E283-K368 HydrophobicContact CB-CG 4.15Å; E283-K368 WeakPolarHBondContact O-CB 3.34Å; E283-K368 WeakPolarHBondContact O-CG 3.19Å; E283-K368 PolarHBondContact O-N 3.42Å; E283-K368 WeakPolarHBondContact OE2-CD 3.32Å; E283-K368 WeakPolarHBondContact OE2-CE 3.12Å; E283-K368 IonicContact OE2-NZ 2.62Å; E283-K368 PolarHBondContact OE2-NZ 3.16Å; K284-K368 WeakPolarHBondContact O-CE 3.18Å; D285-K368 HydrophobicContact CB-CG 3.9Å; K368-D370 PolarHBondContact O-N 3.1Å
369A66.4Low67.5Low66 Ų6683.7 Ų83.755%0.54544%0.437SS..  trans-73.785.4-173.500000112.3D367 P371D367-A369 PolarHBondContact O-N 2.84Å; D367-A369 VanDerWaalsContact O-N 3.11Å; A369-P371 VanDerWaalsContact O-N 3.11Å
370D60.3Low65.6Low55 Ų5581.4 Ų81.429%0.29444%0.442SS..  trans-42.6119.1171.9-178.1-29.8000109.2K368 R372 R373K368-D370 PolarHBondContact O-N 3.1Å; D370-R372 PolarHBondContact O-N 3.11Å; D370-R372 VanDerWaalsContact OD1-CB 3.22Å; D370-R372 WeakPolarHBondContact OD1-CB 3.28Å; D370-R372 WeakPolarHBondContact OD1-CG 3.21Å; D370-R372 IonicContact OD1-CZ 2.66Å; D370-R372 PolarHBondContact OD1-N 2.86Å; D370-R372 IonicContact OD1-NE 3.7Å; D370-R372 PolarHBondContact OD1-NE 2.81Å; D370-R372 IonicContact OD1-NH2 2.63Å; D370-R372 IonicContact OD2-CZ 3.24Å; D370-R372 IonicContact OD2-NE 3.18Å; D370-R372 PolarHBondContact OD2-NE 3.12Å; D370-R372 VanDerWaalsContact OD2-NE 3.16Å; D370-R372 IonicContact OD2-NH2 3.18Å; D370-R372 PolarHBondContact OD2-NH2 3.44Å; D370-R373 WeakPolarHBondContact O-CB 3.38Å; D370-R373 PolarHBondContact O-N 3.46Å
371P56.1Low63.8Low89 Ų8986.5 Ų86.558%0.57846%0.462SS*.Hα-helixtrans-58.7-23.7-174.322.2-33000112.6A369 R374A369-P371 VanDerWaalsContact O-N 3.11Å; P371-R374 WeakPolarHBondContact O-CB 3.36Å; P371-R374 PolarHBondContact O-N 3.01Å
372R51.9Low61.8Low160 Ų16089.3 Ų89.360%0.60449%0.485SS*.Hα-helixtrans-71.5-29.8175.6-56.7172.4-66.5179.11112.8D370 R374 N375 A376D370-R372 PolarHBondContact O-N 3.11Å; D370-R372 VanDerWaalsContact OD1-CB 3.22Å; D370-R372 WeakPolarHBondContact OD1-CB 3.28Å; D370-R372 WeakPolarHBondContact OD1-CG 3.21Å; D370-R372 IonicContact OD1-CZ 2.66Å; D370-R372 PolarHBondContact OD1-N 2.86Å; D370-R372 IonicContact OD1-NE 3.7Å; D370-R372 PolarHBondContact OD1-NE 2.81Å; D370-R372 IonicContact OD1-NH2 2.63Å; D370-R372 IonicContact OD2-CZ 3.24Å; D370-R372 IonicContact OD2-NE 3.18Å; D370-R372 PolarHBondContact OD2-NE 3.12Å; D370-R372 VanDerWaalsContact OD2-NE 3.16Å; D370-R372 IonicContact OD2-NH2 3.18Å; D370-R372 PolarHBondContact OD2-NH2 3.44Å; R372-R374 VanDerWaalsContact C-N 3.29Å; R372-R374 PolarHBondContact O-N 2.8Å; R372-N375 CarbonylContact O-C 3.57Å; R372-N375 PolarHBondContact O-N 3.11Å; R372-A376 PolarHBondContact O-N 3.2Å; R372-A376 VanDerWaalsContact O-N 3.11Å
373R55.1Low59.5Low179 Ų17996.2 Ų96.268%0.67551%0.512SS*.Hα-helixtrans-66.2-32173.5-88.8-168.8171.5-135.11.7111.9D370 N375 A376D370-R373 WeakPolarHBondContact O-CB 3.38Å; D370-R373 PolarHBondContact O-N 3.46Å; R373-N375 VanDerWaalsContact C-N 3.28Å; R373-N375 PolarHBondContact O-N 3.35Å; R373-A376 PolarHBondContact O-N 2.89Å; R373-A376 VanDerWaalsContact O-N 3.12Å
374R49.3Very low57.4Low178 Ų178101.5 Ų101.567%0.67254%0.544SS*.Hα-helixtrans-60.4-39172.2-113.7176.2-74.1178.6-2.9111.8P371 R372 A376P371-R374 WeakPolarHBondContact O-CB 3.36Å; P371-R374 PolarHBondContact O-N 3.01Å; R372-R374 VanDerWaalsContact C-N 3.29Å; R372-R374 PolarHBondContact O-N 2.8Å; R374-A376 VanDerWaalsContact C-N 3.31Å
375N43.6Very low55.2Low139 Ų139101.7 Ų101.774%0.74356%0.561SS**THydrogen-bonded Turntrans-83.3-4.2176.8-63.35.5000113.7R372 R373R372-N375 CarbonylContact O-C 3.57Å; R372-N375 PolarHBondContact O-N 3.11Å; R373-N375 VanDerWaalsContact C-N 3.28Å; R373-N375 PolarHBondContact O-N 3.35Å
376A45.1Very low53Low79 Ų79104.5 Ų104.565%0.65359%0.589SS**THydrogen-bonded Turntrans-1004.9176.400000113.3R372 R373 R374R372-A376 PolarHBondContact O-N 3.2Å; R372-A376 VanDerWaalsContact O-N 3.11Å; R373-A376 PolarHBondContact O-N 2.89Å; R373-A376 VanDerWaalsContact O-N 3.12Å; R374-A376 VanDerWaalsContact C-N 3.31Å
377A41.7Very low50.9Low59 Ų59108.6 Ų108.649%0.48862%0.623SS.*SBendtrans-56.4147.8155.400000109.2N379A377-N379 PolarHBondContact O-N 3.34Å
378P36.3Very low48.5Very low103 Ų103107 Ų10767%0.66963%0.627SS**  trans-66.795.6-177.727.2-34.1000110.2A380P378-A380 PolarHBondContact O-N 2.89Å
379N38Very low46.7Very low110 Ų110110 Ų11059%0.58865%0.647SS**  trans-74.976.7-179.3-137.316.8000108.9A377 Q381 A382A377-N379 PolarHBondContact O-N 3.34Å; N379-Q381 PolarHBondContact O-N 3.35Å; N379-A382 WeakPolarHBondContact O-CB 3.4Å; N379-A382 PolarHBondContact O-N 3.44Å
380A42.4Very low45.7Very low83 Ų83113.5 Ų113.569%0.68665%0.652SS**THydrogen-bonded Turntrans-58.8-12.3-174.700000113.9P378P378-A380 PolarHBondContact O-N 2.89Å
381Q47.7Very low44.6Very low155 Ų155116.6 Ų116.672%0.72468%0.675SS**THydrogen-bonded Turntrans-77.8-23.8173.8-63.2173.4-9.500113N379N379-Q381 PolarHBondContact O-N 3.35Å
382A46.4Very low43.8Very low62 Ų62119.5 Ų119.551%0.51268%0.681SS.*THydrogen-bonded Turntrans-73.9-33.6-175.600000113.6N379 V384 A385N379-A382 WeakPolarHBondContact O-CB 3.4Å; N379-A382 PolarHBondContact O-N 3.44Å; A382-V384 PolarHBondContact O-N 3.3Å; A382-A385 PolarHBondContact O-N 3.41Å
383F39.5Very low43.4Very low190 Ų190118.3 Ų118.383%0.83369%0.685SS**THydrogen-bonded Turntrans-74.1-15.4-177.8-128.1-88.4000113.6
384V48.1Very low42.6Very low112 Ų112115.8 Ų115.868%0.67969%0.692SS**THydrogen-bonded Turntrans-81.7-29.4178.7-164.30000111.4A382 A386A382-V384 PolarHBondContact O-N 3.3Å; V384-A386 VanDerWaalsContact C-N 3.33Å; V384-A386 PolarHBondContact O-N 3.06Å
385A44.6Very low42.3Very low85 Ų85113.4 Ų113.470%0.70270%0.697SS**THydrogen-bonded Turntrans-76.5-13.8-175.100000114.6A382A382-A385 PolarHBondContact O-N 3.41Å
386A44.5Very low41.9Very low95 Ų95110.8 Ų110.879%0.78569%0.694SS**THydrogen-bonded Turntrans-95.40.9-176.100000114.4V384V384-A386 VanDerWaalsContact C-N 3.33Å; V384-A386 PolarHBondContact O-N 3.06Å
387A44Very low41.7Very low88 Ų88114 Ų11473%0.72770%0.701SS**SBendtrans-129.27.9-168.500000115.3
388G36.8Very low41.7Very low52 Ų52117.6 Ų117.654%0.53671%0.712SS.*  trans-130.1116.2170.400000109.8
389L42.3Very low41.6Very low171 Ų171120 Ų12090%0.89572%0.718SS**  62.687.785.5-75.2168.3000113.6
390H47Very low41.6Very low140 Ų140119.6 Ų119.665%0.64872%0.72SS**  trans36.1102.5139.5-154.1152.3000117.1Q392H390-Q392 PolarHBondContact NE2-NE2 3.13Å; H390-Q392 PolarHBondContact O-N 3.41Å
391P35.3Very low41.2Very low120 Ų120126 Ų12678%0.77973%0.726SS**  trans-69.6115171.529.6-32.9000110.4
392Q40.1Very low40.7Very low149 Ų149125.1 Ų125.170%0.69673%0.731SS**  trans-105.3138.8169.1-80.9-68.3-8.300110.3H390H390-Q392 PolarHBondContact NE2-NE2 3.13Å; H390-Q392 PolarHBondContact O-N 3.41Å
393I44.5Very low40.1Very low135 Ų135125.5 Ų125.569%0.69274%0.735SS**  trans-98.3121.8-165.2-55.6168.9000109.8V395I393-V395 HydrophobicContact CG2-CG2 3.74Å; I393-V395 PolarHBondContact O-N 2.88Å; I393-V395 VanDerWaalsContact O-N 3.12Å
394P37.2Very low40Very low126 Ų126126.1 Ų126.182%0.81874%0.74SS**  trans-8187.417032.6-31.9000110A396P394-A396 PolarHBondContact O-N 3.37Å
395V42.4Very low39.4Very low129 Ų129123.9 Ų123.978%0.78274%0.74SS**  trans-80.6109.8168.1-174.10000108.6I393I393-V395 HydrophobicContact CG2-CG2 3.74Å; I393-V395 PolarHBondContact O-N 2.88Å; I393-V395 VanDerWaalsContact O-N 3.12Å
396A36.3Very low39.3Very low83 Ų83128.2 Ų128.269%0.68675%0.75SS**  trans-89.1130.7169.800000110.1P394P394-A396 PolarHBondContact O-N 3.37Å
397N41.5Very low39.1Very low147 Ų147127.7 Ų127.779%0.78674%0.741SS**  trans-166.9122.1138.1-102.7-24.7000113
398N40.1Very low39Very low134 Ų134130.6 Ų130.672%0.71774%0.744SS**  trans34.2110.1139-64.4-26.6000121.1
399L35.2Very low39.1Very low155 Ų155136.5 Ų136.581%0.81276%0.763SS**  65.1134.8111.2-118.672.6000121.2
400T36.8Very low38.9Very low101 Ų101132.8 Ų132.862%0.6276%0.756SS**  trans89.295.1142-50.90000119.4
401R34.8Very low38.7Very low218 Ų218131 Ų13182%0.82376%0.76SS**  trans71136.5138.2-66.4178.2-178.3-160.60.4120.9
402T37.1Very low39.1Very low135 Ų135132.4 Ų132.483%0.82876%0.76SS**  trans61.9147.9142.252.10000119.7
403A34.9Very low38.9Very low71 Ų71133.8 Ų133.859%0.58777%0.767SS**  cis-170.4151.4-23.200000107.4
404Q36.5Very low38.7Very low203 Ų203131.9 Ų131.995%0.94977%0.771SS**  trans63.9137.6171.1-58.1154.1-44.400114.8
405G36.3Very low38.7Very low65 Ų65134.3 Ų134.367%0.6778%0.776SS**  cis163.6163.7-10.400000111.4
406L42.1Very low38.5Very low175 Ų175131.3 Ų131.392%0.91677%0.771SS**  trans67.6147.2162.9-55.1178.5000116.2
407S40.3Very low38.7Very low85 Ų85136.4 Ų136.459%0.59478%0.781SS**  cis-163.5178.7-7.641.90000110.8
408N41.8Very low38.5Very low148 Ų148134.4 Ų134.479%0.79179%0.785SS**  trans73.5107.5168.7-44.2-25.2000114.3
409L37.5Very low38.4Very low177 Ų177136.5 Ų136.593%0.92779%0.791SS**  cis71.491.414.6-163.778.8000116.7
410A38.7Very low38.3Very low92 Ų92138 Ų13876%0.7679%0.793SS**  trans-179.6146.2150.600000108.9
411S43.6Very low38Very low104 Ų104138.4 Ų138.473%0.72780%0.801SS**  cis-166.7155.5-13.1-93.30000110.6
412L42.9Very low37.8Very low149 Ų149133.8 Ų133.878%0.7880%0.797SS**  trans64.3132.7163.6-60.1159.6000117.6
413Q37.4Very low37.5Very low178 Ų178137.4 Ų137.483%0.83280%0.801SS**  cis88.897.318-55.4176-88.300118.3
414A40.3Very low37.5Very low94 Ų94139 Ų13978%0.77780%0.804SS**  trans-167.4117.4138.700000107.3
415L36.4Very low37.6Very low177 Ų177133.5 Ų133.593%0.92779%0.786SS**  77.1125.965.6-77.5168.9000114.7
416G38.2Very low37.5Very low67 Ų67138.7 Ų138.769%0.69179%0.793SS**  trans119.765.3-177.500000113.5
417Q39.9Very low37.2Very low189 Ų189139.7 Ų139.788%0.88379%0.79SS**  57.599.991.9-65.4-172.6-7.400116
418A37.7Very low37Very low106 Ų106141.1 Ų141.188%0.87680%0.797SS**  -175.3147.3129.800000112.8
419Q38.7Very low36.4Very low178 Ų178141.3 Ų141.383%0.83280%0.797SS**  trans-53.1134.7-178.9-70.7158.8-58.500114.2
420Q32Very low36.3Very low185 Ų185139.1 Ų139.186%0.86479%0.791SS**  56.491.480.7-68.4-169.34.200116.1
421S31Very low36.1Very low111 Ų111139 Ų13978%0.77679%0.79SS**  trans-163.5128142.355.80000113.8
422T30.6Very low35.6Very low121 Ų121142 Ų14274%0.74279%0.793SS**  trans32.4106.2145.7-48.70000119.8T424T422-T424 HydrophobicContact CG2-CG2 4.03Å; T422-T424 PolarHBondContact O-N 3.47Å
423F30.1Very low35Very low210 Ų210140.9 Ų140.992%0.92179%0.787SS**  trans-81.8102.5166.3-123.5-88.2000111.7
424T34.9Very low34.8Very low106 Ų106135.8 Ų135.865%0.6577%0.768SS**  trans-130.6117.2165.647.40000110.5T422 Q426T422-T424 HydrophobicContact CG2-CG2 4.03Å; T422-T424 PolarHBondContact O-N 3.47Å; T424-Q426 PolarHBondContact O-N 3Å
425P39.1Very low35Very low86 Ų86138.4 Ų138.456%0.55876%0.764SS**  trans-90.193.6167.433.2-29.1000110.3F427P425-F427 HydrophobicContact CB-CD2 4.36Å; P425-F427 HydrophobicContact CB-CE2 4.36Å
426Q35.3Very low34.9Very low175 Ų175135 Ų13582%0.81875%0.752SS**  trans-83.4144.3139.1-76.3-167.6-6.500107.4T424T424-Q426 PolarHBondContact O-N 3Å
427F35.9Very low34.6Very low196 Ų196137.5 Ų137.586%0.8675%0.749SS**  trans-127.6118.9163.8-90.8-77.7000108.8P425P425-F427 HydrophobicContact CB-CD2 4.36Å; P425-F427 HydrophobicContact CB-CE2 4.36Å
428P35Very low34.3Very low114 Ų114135.2 Ų135.274%0.7474%0.738SS**  trans-92.7-179.6-172.238-37.4000113.1
429L30.1Very low34.1Very low153 Ų153137.4 Ų137.480%0.80173%0.73SS**  trans-75.6171.2165.9-80.277.6000112
430T34.3Very low33.8Very low131 Ų131134.7 Ų134.780%0.80473%0.726SS**  trans90.6126.3158.271.60000119.3
431A35.6Very low34.1Very low88 Ų88130.7 Ų130.773%0.72772%0.716SS**  trans59.2146.4133.100000120.1
432Q33.1Very low34.1Very low168 Ų168131.4 Ų131.479%0.78572%0.716SS**  cis-162.9171.82-140.2177.8-30.800111.5
433L30.5Very low34.3Very low125 Ų125132.1 Ų132.165%0.65472%0.72SS**  trans74148.6153.1-112.165.1000116.5
434V32.9Very low34.7Very low71 Ų71128.1 Ų128.143%0.4371%0.712SS.*  cis-147.115814.1-159.50000111.5P470 C471V434-P470 HydrophobicContact CB-CB 3.69Å; V434-P470 HydrophobicContact CG1-CB 3.7Å; V434-P470 HydrophobicContact CG2-CB 3.49Å; V434-P470 VanDerWaalsContact CG2-CB 3.49Å; V434-C471 WeakPolarHBondContact CG1-O 3.45Å
435Q43.3Very low34.8Very low149 Ų149128.4 Ų128.470%0.69672%0.716SS**  trans-99-178.8171.1-61.4-179.5-1100112.2
436P35.4Very low34.4Very low105 Ų105130.7 Ų130.768%0.68272%0.723SS**  -127.5150.283716.4000114
437L30.6Very low34Very low120 Ų120129.2 Ų129.263%0.62872%0.718SS**  67.1112.466.4-107.7-178.9000112.4
438H35.3Very low34Very low142 Ų142127.3 Ų127.366%0.65771%0.711SS**  -158.1147.666.9-90.174.5000116.3
439Q32.1Very low33.7Very low152 Ų152126.9 Ų126.971%0.7171%0.711SS**  trans52.8120.5138.7-66.7-177.3400120.8
440T33Very low33.7Very low120 Ų120124.7 Ų124.774%0.73671%0.708SS**  cis101.4157.536.5580000113.4
441P37.4Very low33.4Very low102 Ų102123.4 Ų123.466%0.66271%0.705SS**  cis-146.9178.2-39.742.3-25.3000115.5
442V31.7Very low33.2Very low126 Ų126126.8 Ų126.876%0.76471%0.709SS**  trans68.4140.9164.2-164.80000113.6
443V35.5Very low33Very low136 Ų136123.4 Ų123.482%0.82470%0.704SS**  cis-137.1169.249.7177.10000112.3
444V37.5Very low33.1Very low125 Ų125122.1 Ų122.176%0.75871%0.705SS**  trans-95.9-171.6-168.9-132.70000112.7
445P37.4Very low33.2Very low113 Ų113127.2 Ų127.273%0.73473%0.725SS**  trans-99179.8-132.744.5-33.7000114.8
446N29.9Very low32.6Very low133 Ų133126.1 Ų126.171%0.71172%0.724SS**  171.1139.6108.7-163.631.2000114.5
447M28.5Very low32.5Very low144 Ų144131.3 Ų131.371%0.70973%0.73SS**  trans61.6163.7155.9-79.4-74.7170.400122.2
448H34.4Very low32.5Very low156 Ų156133 Ų13372%0.72274%0.739SS**  trans85.290.4162.4-46.7113.3000120.3
449S28.8Very low32.4Very low106 Ų106133.4 Ų133.474%0.74175%0.745SS**  71126.4115.5-55.20000123
450S30Very low32.4Very low106 Ų106133.1 Ų133.174%0.74175%0.747SS**  trans82.5104136.2-60.40000122.2
451S28.3Very low32.3Very low105 Ų105134.8 Ų134.873%0.73475%0.751SS**  82.9159122.1-60.20000121.5
452I31.4Very low32.2Very low159 Ų159134.7 Ų134.782%0.81575%0.75SS**  trans68.791.8169.8-58.4144.8000113.1
453S29.1Very low32.1Very low96 Ų96133.6 Ų133.667%0.67175%0.748SS**  63.792.270.1-1620000112.1
454S32.2Very low31.8Very low98 Ų98132.5 Ų132.569%0.68574%0.742SS**  105.616590.8-70.90000110.8
455Q35.4Very low31.4Very low179 Ų179133.6 Ų133.684%0.83674%0.743SS**  trans73.9135.6172.9-63-151.757.400115.4
456N30.2Very low31.1Very low126 Ų126134.6 Ų134.667%0.67474%0.741SS**  cis-162.4174.8-7.8-152.4-32.7000111.4
457R34.8Very low31.2Very low214 Ų214135.2 Ų135.281%0.80874%0.74SS**  trans79.2101.9159.4-59.4-177.6-167.5-153.93.2119.3
458N29.8Very low31.3Very low154 Ų154135.1 Ų135.182%0.82474%0.742SS**  trans-50.8150.7135.6-55.2-72.8000110.7
459I33.3Very low31.2Very low152 Ų152130 Ų13078%0.77973%0.732SS**  -171.9116.9128.9-101.3157.1000112.3
460L31.2Very low32.1Very low146 Ų146129.1 Ų129.176%0.76472%0.723SS**  trans49.8136.1142.9-66.8166.8000124.3
461L31.4Very low32.2Very low154 Ų154129.1 Ų129.181%0.80672%0.722SS**  trans84156.5140.8-71.8166.9000118.3
462P36.2Very low32.4Very low101 Ų101129.6 Ų129.666%0.65672%0.724SS**  trans-123.2-162.9-132.845.7-34.8000113.7
463S28.9Very low32.6Very low103 Ų103125.4 Ų125.472%0.7272%0.72SS**  trans76.4144.8172.4-550000113.4
464T29Very low32.9Very low113 Ų113126.3 Ų126.369%0.69373%0.726SS**  cis-164157.6-2.87.50000110.8
465L29Very low33.1Very low148 Ų148128 Ų12878%0.77573%0.733SS**  trans71.1151.7143.9-73.8167.2000121.8
466L31.6Very low33Very low134 Ų134123.6 Ų123.670%0.70273%0.727SS**  trans65.6145.4160.5-88.779.9000119
467Q30.6Very low33.3Very low145 Ų145124.4 Ų124.468%0.67874%0.736SS**  cis-160.4143.7-22-151.7154.138.300112.9
468N31.5Very low33.4Very low143 Ų143119.4 Ų119.477%0.76573%0.731SS**  trans24.6142.5151.3-50.5-2.9000123.8
469G32.9Very low33.7Very low48 Ų48118.9 Ų118.950%0.49573%0.734SS.*  trans-83-150.114700000111.5
470P46.2Very low33.8Very low87 Ų87116.9 Ų116.957%0.56573%0.733SS**  cis-136.7-176.3142-24.6000115.7V434V434-P470 HydrophobicContact CB-CB 3.69Å; V434-P470 HydrophobicContact CG1-CB 3.7Å; V434-P470 HydrophobicContact CG2-CB 3.49Å; V434-P470 VanDerWaalsContact CG2-CB 3.49Å
471C33.7Very low33.9Very low107 Ų107118.8 Ų118.872%0.72374%0.736SS**  173.5-160.8127.4610000114.1V434V434-C471 WeakPolarHBondContact CG1-O 3.45Å
472C31.2Very low34.5Very low114 Ų114117.5 Ų117.577%0.7774%0.737SS**  trans-140.4157.4-133.855.40000119.7
473G35.9Very low34.2Very low71 Ų71117.2 Ų117.273%0.73274%0.737SS**  trans91.2159.1155.100000118.5
474S36.6Very low34.3Very low115 Ų115120.4 Ų120.480%0.80474%0.744SS**  cis-169.2167-14.2-84.90000112.2
475T34.6Very low34.7Very low134 Ų134118.8 Ų118.882%0.82275%0.75SS**  trans91.3104151.7-49.10000122.6
476A33.7Very low35.1Very low87 Ų87117.4 Ų117.472%0.71975%0.747SS**  trans27.5140.913800000125.9
477V36.6Very low35.3Very low142 Ų142118.7 Ų118.786%0.86176%0.755SS**  -152.4141.4115.3-164.50000110.5
478P36.5Very low35.5Very low109 Ų109115.7 Ų115.771%0.70876%0.763SS**  trans-123.5154174.340.1-28.9000116.1
479V37.7Very low35.7Very low143 Ų143112.5 Ų112.587%0.86776%0.764SS**  trans-168.5171.9164.8-100.40000110.4
480S34.8Very low35.8Very low111 Ų111118.8 Ų118.878%0.77679%0.786SS**  -159.9168-75.9-91.80000110.8
481F34Very low35.4Very low185 Ų185118.3 Ų118.381%0.81180%0.798SS**  trans-65.5170.1-178.6-69.7-96.3000114.6
482P42.6Very low35.3Very low128 Ų128122.8 Ų122.883%0.83181%0.808SS**  -130.8168.5103.939.1-33.5000114.9
483S29.6Very low35.6Very low94 Ų94122.3 Ų122.366%0.65781%0.806SS**  trans-142.7173.6177-67.50000110
484I32.3Very low35.6Very low171 Ų171124.8 Ų124.888%0.87781%0.807SS**  trans82.5127.7171.3-52169.4000114.9
485G37.8Very low35.6Very low78 Ų78126.8 Ų126.880%0.80481%0.807SS**  trans172.392.9175.800000110.4
486T36.2Very low35.5Very low119 Ų119125.4 Ų125.473%0.7380%0.803SS**  trans-98.3130.8-171.344.50000112.9
487N35.6Very low35.6Very low161 Ų161127.9 Ų127.986%0.86181%0.809SS**  173.7150.8122.4-95.2-53000115
488G35.4Very low35.5Very low82 Ų82126.3 Ų126.385%0.84580%0.804SS**  trans14.1134.1160.700000123.6
489G36.7Very low35.4Very low77 Ų77126.5 Ų126.579%0.79481%0.809SS**  trans168.3106.8161.900000113.6
490N34.6Very low35.2Very low179 Ų179130.8 Ų130.896%0.95781%0.811SS**  trans-75.1141-179.3-62.5-33.7000112.6
491G37.6Very low35.3Very low78 Ų78136.9 Ų136.980%0.80482%0.817SS**  trans174.1128.5166.700000114
492Q32.3Very low35.2Very low200 Ų200132.3 Ų132.394%0.93581%0.813SS**  trans-119.5127179.5-71.2-177.3-26.400112.2
493S37Very low34.9Very low104 Ų104134.1 Ų134.173%0.72782%0.816SS**  trans-177.1102.8156.651.30000110.1
494T34.8Very low35.2Very low123 Ų123137.1 Ų137.176%0.75582%0.824SS**  60.2108.691.462.80000113.5
495I36.4Very low35.4Very low157 Ų157135.9 Ų135.981%0.80582%0.824SS**  165.7149.486-95.5142.6000105.7
496S33.2Very low35.3Very low105 Ų105135.1 Ų135.173%0.73482%0.816SS**  cis-142.8137.629.5-53.10000113.7
497T36.1Very low35.4Very low140 Ų140136.6 Ų136.686%0.85982%0.818SS**  trans-147.5122.1148.532.40000109S499T497-S499 PolarHBondContact O-N 3.15Å
498S34.3Very low35.7Very low108 Ų108135.1 Ų135.176%0.75582%0.817SS**  trans-87.873.7-166.146.40000114.2
499S35.5Very low35.6Very low114 Ų114140.2 Ų140.280%0.79782%0.818SS**  trans-99.195.4162.8-68.20000110.2T497 R501T497-S499 PolarHBondContact O-N 3.15Å; S499-R501 PolarHBondContact O-N 3.47Å
500Y33.5Very low35.6Very low232 Ų232140.2 Ų140.291%0.9182%0.818SS**  trans-77.690.8-178-85.2-76.6000112.7
501R35.3Very low35.6Very low240 Ų240140.1 Ų140.191%0.90681%0.812SS**  trans-103.5149.5160.8-161.7178.5-173.3-1692108.3S499S499-R501 PolarHBondContact O-N 3.47Å
502A32.8Very low35.5Very low89 Ų89144.9 Ų144.974%0.73682%0.816SS**  trans-67.9154.3-170.900000114.9
503N35.1Very low36Very low166 Ų166140.7 Ų140.789%0.88881%0.806SS**  trans-163.7160.8145.4-104.1-26000112.6
504L36.4Very low36.1Very low156 Ų156141.6 Ų141.682%0.81781%0.812SS**  trans-107.4148.6-178.7-58.876.4000111.7
505V36.2Very low36.1Very low146 Ų146139.6 Ų139.689%0.88582%0.816SS**  trans-156.9138.8139.6-174.40000106.8
506G36.2Very low36.1Very low61 Ų61136.7 Ų136.763%0.62982%0.815SS**  cis153.9162.4-9.600000112.7
507I38.5Very low36Very low151 Ų151139.7 Ų139.777%0.77482%0.818SS**  trans74143.4160.4-65.3170.9000114.4
508P42.2Very low36.4Very low129 Ų129139 Ų13984%0.83882%0.815SS**  cis-117.3-173.728.318.66.5000117.9
509Q32.5Very low36.4Very low189 Ų189139.7 Ų139.788%0.88381%0.811SS**  trans-102.8158.3-163.7-60.1157.3-43.200113.2
510G37.7Very low36.5Very low77 Ų77142.9 Ų142.979%0.79481%0.813SS**  trans-159.9130.1168.300000110.6
511Q35.1Very low36.5Very low178 Ų178135.3 Ų135.383%0.83281%0.806SS**  trans-98.4129.9-159.6-64.2157.9-7800114.9
512M35.3Very low36.5Very low177 Ų177130.8 Ų130.887%0.87281%0.805SS**  trans58.8175.8134.1-60.4-169.4178.900118.8
513P43Very low36.3Very low112 Ų112131 Ų13173%0.72781%0.807SS**  cis-130159.7-4.531.7-10.7000118
514S37.6Very low36.2Very low124 Ų124130.5 Ų130.587%0.86780%0.803SS**  trans49.3119.3138.2-54.90000125.4
515G34.6Very low35.9Very low81 Ų81129.6 Ų129.684%0.83580%0.804SS**  trans91.7154.9139.500000118.7
516A36.6Very low35.8Very low95 Ų95127.6 Ų127.679%0.78580%0.802SS**  cis-164.7138.9-17.300000111.6
517Q32.8Very low35.7Very low169 Ų169128.3 Ų128.379%0.7981%0.81SS**  trans60.1148.1172.4-69.9-100.3-9500116.9
518P43.9Very low35.4Very low124 Ų124131.4 Ų131.481%0.80581%0.813SS**  -141.2179.690.539.2-24.2000114.1
519N34.2Very low35.1Very low124 Ų124129.8 Ų129.866%0.66381%0.811SS**  trans-147.8141.1179.1-169.17000110
520Q37.6Very low35.1Very low180 Ų180127 Ų12784%0.84180%0.802SS**  trans64153.5179.6-45.8179.514.400115.5
521G32.3Very low34.9Very low74 Ų74133.6 Ų133.676%0.76380%0.804SS**  cis156.694.7-12.800000114.2
522T35.2Very low34.9Very low144 Ų144130.3 Ų130.388%0.88380%0.798SS**  trans-146.7142.8174.6-41.50000111
523A29.4Very low34.8Very low94 Ų94132 Ų13278%0.77780%0.801SS**  trans-146.2128.3-177.700000114
524I33.6Very low34.4Very low156 Ų156131.9 Ų131.980%0.880%0.803SS**  trans-151.399170.4-48.9178000105.4
525V29.7Very low34.1Very low137 Ų137138.1 Ų138.183%0.8381%0.808SS**  84.7146.378.3168.90000114.1
526A34.9Very low34.1Very low103 Ų103140 Ų14085%0.85181%0.808SS**  trans85.4130.8-176.800000116.3
527G34Very low34Very low77 Ų77145.4 Ų145.479%0.79481%0.814SS**  cis-160.3156.1-3.100000113.9
528Y31.9Very low33.9Very low216 Ų216142.6 Ų142.685%0.84781%0.813SS**  trans-89.7156.9-176.2-92.8-96.8000113.6D530Y528-D530 WeakPolarHBondContact CD1-OD2 3.39Å
529A35Very low33.4Very low95 Ų95142.1 Ų142.179%0.78581%0.811SS**  trans-150.451.5162.800000112.3
530D33.4Very low33.2Very low131 Ų131142.2 Ų142.270%0.70182%0.816SS**  trans-72.4139.3171.1-97.6-73.8000111.6Y528Y528-D530 WeakPolarHBondContact CD1-OD2 3.39Å
531Y33.2Very low32.8Very low215 Ų215140.7 Ų140.784%0.84381%0.813SS**  trans-129147.1170.1-92.6-92.4000111.4
532P35.5Very low32.9Very low108 Ų108143 Ų14370%0.70181%0.812SS**  trans-97.2141.6-136.134-36.9000116.3S534P532-S534 PolarHBondContact O-N 2.9Å
533F32.9Very low32.9Very low213 Ų213144.6 Ų144.693%0.93481%0.81SS**  trans-76.7111.2162.3-122.9-86.1000110.4R535F533-R535 PolarHBondContact O-N 2.9Å; F533-R535 VanDerWaalsContact O-N 3.07Å
534S34.4Very low33Very low110 Ų110146.1 Ų146.177%0.76981%0.814SS**  trans-69104.6-179.6-73.30000112.6P532P532-S534 PolarHBondContact O-N 2.9Å
535R31.1Very low33Very low255 Ų255142 Ų14296%0.96281%0.811SS**  trans-75.1120.1157.9-86.7-174.2168.5-163.8-1.7109.5F533F533-R535 PolarHBondContact O-N 2.9Å; F533-R535 VanDerWaalsContact O-N 3.07Å
536S34.3Very low33.2Very low119 Ų119143 Ų14383%0.83281%0.812SS**  trans-119.1144.5161.357.20000111.1
537K33.8Very low33.2Very low210 Ų210148.5 Ų148.591%0.91382%0.817SS**  trans-72.5150.9-168-52.4159.8-175.9174.70111.3
538S32.5Very low33.1Very low110 Ų110149.8 Ų149.877%0.76981%0.813SS**  -167.7158.7114.1-148.30000114.8
539C32.6Very low33.5Very low113 Ų113144.2 Ų144.276%0.76481%0.812SS**  trans19.1113.8164.250.60000121.8
540V29.6Very low33.6Very low127 Ų127146.2 Ų146.277%0.7781%0.809SS**  trans-37.5143142.1173.60000113.5V542V540-V542 HydrophobicContact CG1-CB 4.49Å; V540-V542 HydrophobicContact CG1-CG2 4.05Å
541N30.3Very low33.8Very low148 Ų148147.5 Ų147.579%0.79182%0.816SS**  trans-141.3109.5141.8-169.513.7000109
542V32.8Very low34.3Very low121 Ų121144.3 Ų144.373%0.73381%0.813SS**  trans-110.2114175.3172.10000107.5V540V540-V542 HydrophobicContact CG1-CB 4.49Å; V540-V542 HydrophobicContact CG1-CG2 4.05Å
543Q36.4Very low34.6Very low179 Ų179144.6 Ų144.684%0.83682%0.815SS**  trans-76.5124.7168.2-70.5-175.4-92.300109.2
544S30.7Very low34.7Very low125 Ų125139.3 Ų139.387%0.87480%0.8SS**  trans-71.7138.9174.239.80000111.3
545G35Very low34.6Very low71 Ų71145.4 Ų145.473%0.73281%0.808SS**  trans-163.5110.3176.300000109.8
546N32.2Very low34.7Very low157 Ų157138.5 Ų138.584%0.8479%0.794SS**  trans-58.2139.8-173.9-62.5-24.8000112.7
547F35.1Very low34.6Very low219 Ų219136.7 Ų136.796%0.96179%0.787SS**  trans-149.6148.9130-107.3-73000110.3
548S33.3Very low34.6Very low103 Ų103135.1 Ų135.172%0.7279%0.788SS**  trans-118.3135.8-171.2178.30000111.6
549A39.5Very low34.8Very low99 Ų99133 Ų13382%0.81878%0.784SS**  trans-159.1135.5158.400000109.4
550N36.6Very low34.8Very low137 Ų137135.5 Ų135.573%0.73379%0.79SS**  trans-96.2150.6-179-52-65.3000111.3
551N38.7Very low35.1Very low158 Ų158134.6 Ų134.685%0.84579%0.789SS**  -178.1160.1113.2-90.5-34.7000114.5
552L43.9Very low35.5Very low148 Ų148132 Ų13278%0.77578%0.782SS**  trans-93.4-166.4-176.1-67.7131000111V554L552-V554 HydrophobicContact CD2-CG2 4.27Å
553P41.8Very low35.7Very low114 Ų114134.5 Ų134.574%0.7479%0.786SS**  cis-119.8159.9-13.11016.6000113.3
554V34.2Very low35.5Very low103 Ų103130.8 Ų130.862%0.62478%0.78SS**  67.2117.466.7-175.50000115.8L552L552-V554 HydrophobicContact CD2-CG2 4.27Å
555Y32.7Very low35.8Very low237 Ų237131.1 Ų131.193%0.92978%0.777SS**  trans-150.7155137.1-120.6-80.9000110.1
556T32.2Very low35.9Very low111 Ų111136.1 Ų136.168%0.68178%0.781SS**  trans-152.1153.5-157.1-29.60000114.7
557A32.9Very low36Very low81 Ų81133 Ų13367%0.66977%0.771SS**  trans58.9119151.600000122
558N33.1Very low35.9Very low176 Ų176126.4 Ų126.494%0.94176%0.757SS**  trans174.9155.8131.9-90.2-28.4000108.7
559G38.3Very low35.8Very low67 Ų67129.9 Ų129.969%0.69176%0.76SS**  cis-174.6161-5.400000110.3
560N31.3Very low35.5Very low165 Ų165133 Ų13388%0.88276%0.757SS**  trans-80.4161.5-178.1-62.3-35.3000113
561S37.2Very low35.2Very low107 Ų107131.6 Ų131.675%0.74876%0.758SS**  159.3150.4117.753.10000116.5
562S37.7Very low34.9Very low94 Ų94131 Ų13166%0.65776%0.76SS**  trans59.9155.7148.441.10000121.2
563Q36.7Very low34.3Very low173 Ų173127.4 Ų127.481%0.80875%0.752SS**  cis-163127.5-15-101.7159.14.700104.8
564S33.3Very low33.8Very low101 Ų101132.1 Ų132.171%0.70676%0.761SS**  60.1103.675.776.70000117.9
565T36.5Very low33.7Very low133 Ų133130.5 Ų130.582%0.81677%0.766SS**  trans-171.9128.1141.328.80000107.4
566H36.5Very low33.7Very low176 Ų176125.7 Ų125.782%0.81576%0.761SS**  61.8135.874-86.2-104000115.2
567S34.7Very low34Very low91 Ų91125.9 Ų125.964%0.63676%0.764SS**  cis-176.6157.1-14.443.90000113.5
568A32.1Very low33.8Very low80 Ų80127.1 Ų127.166%0.66176%0.764SS**  trans78.7167.3147.900000121.2
569F32.8Very low33.7Very low177 Ų177124.8 Ų124.878%0.77676%0.756SS**  trans68.1103.7-178.1-60.7-83.3000115.4
570Q33.1Very low33.4Very low163 Ų163126.6 Ų126.676%0.76276%0.758SS**  76.2129.268.7-76.4-171.6-7.700113.7
571S29.8Very low33.2Very low109 Ų109125 Ų12576%0.76275%0.749SS**  trans44.2141.9145.8-50.70000119.8
572V33.3Very low33Very low144 Ų144129.3 Ų129.387%0.87375%0.751SS**  cis-149.1-165.933.4-141.10000111.2
573A30.1Very low32.6Very low74 Ų74133.1 Ų133.161%0.61276%0.758SS**  trans-83.9-170.1-176.700000114.6
574F30.9Very low32.6Very low212 Ų212128.8 Ų128.893%0.9376%0.76SS**  trans72.2141.8-176.8-49.6-83.9000114.3
575G33.2Very low32.8Very low70 Ų70127.4 Ų127.472%0.72276%0.761SS**  cis-175.6166-5.200000110.9
576T32.6Very low32.8Very low136 Ų136128.8 Ų128.883%0.83476%0.763SS**  trans-76.5145.5173.945.30000111.5
577P37.5Very low32.8Very low114 Ų114125.1 Ų125.174%0.7476%0.757SS**  -136.4145.598.121.9-1.7000112
578T29.8Very low32.7Very low108 Ų108130.6 Ų130.666%0.66377%0.765SS**  64.9122.257.565.80000117.1
579T29.8Very low32.9Very low127 Ų127132.3 Ų132.378%0.77977%0.767SS**  trans74.1148146.152.20000122.7
580S31.7Very low33.1Very low104 Ų104130.9 Ų130.973%0.72776%0.763SS**  trans79.8152.4153.489.50000116.6
581N28.8Very low33.3Very low132 Ų132129.4 Ų129.471%0.70676%0.756SS**  cis-166.2-176.2-19.9-116.5-21.1000110
582Y32.7Very low33.6Very low198 Ų198130.8 Ų130.878%0.77675%0.75SS**  trans70.7149.4168.2-62.3-82.9000116.2
583Q29.6Very low33.8Very low174 Ų174130.8 Ų130.881%0.81374%0.741SS**  cis151.6155.6-24.8-101.3-166.4-56.600107.5
584G37Very low34.1Very low82 Ų82134.5 Ų134.585%0.84575%0.745SS**  trans97.5126.2-173.200000110.3
585G36.1Very low34.3Very low72 Ų72128.9 Ų128.974%0.74273%0.732SS**  cis124.8143.316.300000108.5
586L37.3Very low34.3Very low162 Ų162133.4 Ų133.485%0.84874%0.735SS**  cis-154140.88.4-78.2162.9000110.3
587S35.3Very low34.4Very low99 Ų99129.4 Ų129.469%0.69271%0.711SS**  trans55.9169.2147.5-44.60000119.4
588Y34.2Very low34.5Very low205 Ų205128.5 Ų128.580%0.80470%0.703SS**  cis-130.6135.24.8-111.1-104000107.6
589V36.6Very low35.1Very low117 Ų117128.2 Ų128.271%0.70970%0.704SS**  66.913197.9169.40000114.1
590H36.8Very low35.5Very low147 Ų147125.9 Ų125.968%0.68169%0.693SS**  cis-154.6163.423.9-155.5-138.6000114.5
591H37Very low36Very low132 Ų132127.5 Ų127.561%0.61170%0.698SS**  trans50.1118.3161-81.53.9000121.2
592Q36Very low36.6Very low137 Ų137127.1 Ų127.164%0.6470%0.702SS**  79.4109.377.4-79.9-165.9-69.300114.5
593Q37.3Very low36.8Very low145 Ų145121.2 Ų121.268%0.67870%0.702SS**  81.2140.185.9-81.5-171.2-73.200114.5
594Q35.2Very low37.1Very low151 Ų151118 Ų11871%0.70671%0.705SS**  cis-165.8158.7-17.4-160.6163-4.600111.5
595S36.3Very low36.9Very low95 Ų95119 Ų11966%0.66471%0.706SS**  trans59.9104.5154.147.40000123.9
596Q33.8Very low36.7Very low164 Ų164122.4 Ų122.477%0.76671%0.711SS**  44.7165126.2-95-148.62600123.4S637Q596-S637 VanDerWaalsContact C-OG 3.31Å; Q596-S637 VanDerWaalsContact O-CB 3.23Å; Q596-S637 WeakPolarHBondContact O-CB 3.16Å; Q596-S637 PolarHBondContact O-OG 3.08Å
597P34.8Very low36.6Very low53 Ų53119 Ų11934%0.34471%0.707SS.*  cis-138.6-116.39.342.2-17.2000113.5P636 S637P597-P636 HydrophobicContact CG-CB 4.04Å; P597-S637 VanDerWaalsContact CD-OG 3.23Å; P597-S637 WeakPolarHBondContact CD-OG 3.34Å; P597-S637 WeakPolarHBondContact CG-OG 3.49Å
598T38.7Very low36.7Very low94 Ų94118.8 Ų118.858%0.57771%0.705SS**  trans-51.6148-174.355.70000118.3Y635T598-Y635 WeakPolarHBondContact O-CD1 3.38Å
599P42.5Very low36.8Very low103 Ų103116.3 Ų116.367%0.66971%0.706SS**  trans-132.8138.2146.336.7-23.3000114.9Y635P599-Y635 HydrophobicContact CB-CD2 4.02Å; P599-Y635 HydrophobicContact CB-CE2 3.86Å
600S37.4Very low36.8Very low78 Ų78115.1 Ų115.155%0.54570%0.703SS.*  trans-89.2147.5153-41.90000108.8Y635S600-Y635 WeakPolarHBondContact CA-OH 3.24Å; S600-Y635 WeakPolarHBondContact CB-OH 3.27Å; S600-Y635 VanDerWaalsContact N-CZ 3.32Å; S600-Y635 PolarHBondContact N-OH 2.77Å; S600-Y635 WeakPolarHBondContact O-CE2 3.22Å; S600-Y635 PolarHBondContact O-OH 2.92Å; S600-Y635 VanDerWaalsContact O-OH 3.13Å; S600-Y635 PolarHBondContact OG-OH 3.36Å
601V42.6Very low36.9Very low138 Ų138116 Ų11684%0.83671%0.707SS**  trans26.6111.7159.9-163.80000119
602P41.5Very low36.7Very low123 Ų123116.9 Ų116.980%0.79971%0.713SS**  trans-105.1131.8155.434.2-26.3000112.5
603G36.9Very low36.7Very low74 Ų74115.8 Ų115.876%0.76372%0.716SS**  trans-85.8169.116400000112.4
604A35.2Very low36.6Very low108 Ų108115.3 Ų115.389%0.89372%0.717SS**  trans-71.2152.1-170.600000115.8
605A33.9Very low36.7Very low103 Ų103115.8 Ų115.885%0.85172%0.723SS**  trans-147.9159.6154.300000109.4
606V32.2Very low36.8Very low142 Ų142114.2 Ų114.286%0.86172%0.716SS**  trans-127.3136.1-163.7173.60000112.6
607A34.9Very low37.1Very low91 Ų91115 Ų11575%0.75272%0.72SS**  trans-169.7153.115100000109.7
608S36.6Very low37.5Very low95 Ų95118.6 Ų118.666%0.66474%0.741SS**  cis-170.6169.8-24.3-96.30000108.4
609N35.7Very low38Very low153 Ų153119.5 Ų119.582%0.81875%0.748SS**  trans74.9139.7170.9-52.1-20.8000115.5
610S38.5Very low37.8Very low91 Ų91121.3 Ų121.364%0.63675%0.751SS**  cis-161.1142.8-1.4-111.50000112.9
611Q38Very low37.8Very low167 Ų167124.2 Ų124.278%0.7876%0.76SS**  trans63.9150.4156.9-60171.94.600116.9
612M33Very low37.4Very low149 Ų149122.6 Ų122.673%0.73475%0.754SS**  cis-160.1178.5-18.7-95.9-173.7-64.900105.6
613V35.9Very low37.2Very low115 Ų115123.5 Ų123.570%0.69775%0.751SS**  cis-143.8120.914.8-178.30000109
614I35.1Very low37.1Very low135 Ų135128.3 Ų128.369%0.69275%0.747SS**  36.2110.5117.2-36.4170.8000115.1
615L38.2Very low37.1Very low160 Ų160130 Ų13084%0.83874%0.737SS**  -179.7163.780.6-78.4166.4000108.5
616A38Very low37.1Very low63 Ų63129.2 Ų129.252%0.52173%0.725SS.*  cis-172.8148.4-28.400000111.5
617Q40.2Very low37.4Very low180 Ų180126.7 Ų126.784%0.84171%0.714SS**  trans67.7145.6151.2-64.6151.810.700119
618T43.3Very low37.4Very low129 Ų129130.4 Ų130.479%0.79172%0.721SS**  cis-154.5162.3-1.64.90000112.3
619P47.9Very low37.4Very low112 Ų112128.7 Ų128.773%0.72772%0.719SS**  trans-123.9-133.4-167.144.1-28.3000114.4
620I39.3Very low37.5Very low142 Ų142127.1 Ų127.173%0.72872%0.72SS**  trans96.2135.8173.3-55.9163.6000113.3
621N37.5Very low37.4Very low138 Ų138129.4 Ų129.474%0.73873%0.73SS**  cis-128.9143.82.9-105-35.8000107.9
622C33.8Very low37.1Very low104 Ų104126.6 Ų126.670%0.70373%0.729SS**  67.5136.852.5-65.20000113
623L36.7Very low37.2Very low142 Ų142124 Ų12474%0.74373%0.731SS**  cis-129.7-153.88.4-62.689.1000110.1
624Y34.4Very low37.1Very low175 Ų175122.6 Ų122.669%0.68673%0.731SS**  cis-163.71362.2-147.9-151.7000113.5
625Q35.4Very low36.9Very low145 Ų145122 Ų12268%0.67872%0.721SS**  trans51.3146.8130.7-77-168.44.900125.6
626S35.3Very low36.9Very low86 Ų86118.2 Ų118.260%0.60171%0.706SS**  cis-167.8155.3-8.3-173.90000114.1
627S37.7Very low36.7Very low89 Ų89118.5 Ų118.562%0.62271%0.705SS**  trans58149.6145.946.40000121.1
628N34.7Very low36.4Very low168 Ų168112.7 Ų112.790%0.89869%0.693SS**  cis-161.4160-11.8-86.4-19.7000105.3
629G36.5Very low35.9Very low60 Ų60113.2 Ų113.262%0.61970%0.695SS**  cis162161.4-2.900000109.9
630S37.5Very low35.1Very low120 Ų120111.8 Ų111.884%0.83969%0.688SS**  trans63.6148.1170.470.50000118
631T36.5Very low34.7Very low139 Ų139109.1 Ų109.185%0.85368%0.682SS**  cis-149.8-171.1-4.7-5.30000111
632S33.3Very low34.4Very low107 Ų107108.4 Ų108.475%0.74868%0.683SS**  trans-108.8159.9-156.9600000118.6
633A33.2Very low34.4Very low94 Ų94109.3 Ų109.378%0.77769%0.691SS**  trans93.6139.3135.700000122.6
634A34.8Very low34.1Very low86 Ų86106.3 Ų106.371%0.71169%0.694SS**  trans63.9111.1143.800000122.1
635Y30.6Very low34.2Very low123 Ų123106.4 Ų106.448%0.48270%0.7SS.*  15152.1104.5-66.4-55.5000119.7T598 P599 S600T598-Y635 WeakPolarHBondContact O-CD1 3.38Å; P599-Y635 HydrophobicContact CB-CD2 4.02Å; P599-Y635 HydrophobicContact CB-CE2 3.86Å; S600-Y635 WeakPolarHBondContact CA-OH 3.24Å; S600-Y635 WeakPolarHBondContact CB-OH 3.27Å; S600-Y635 VanDerWaalsContact N-CZ 3.32Å; S600-Y635 PolarHBondContact N-OH 2.77Å; S600-Y635 WeakPolarHBondContact O-CE2 3.22Å; S600-Y635 PolarHBondContact O-OH 2.92Å; S600-Y635 VanDerWaalsContact O-OH 3.13Å; S600-Y635 PolarHBondContact OG-OH 3.36Å
636P38.3Very low34.1Very low81 Ų81106 Ų10653%0.52670%0.698SS.*  cis-155.1-161.2-16.140.1-17.3000116.9P597P597-P636 HydrophobicContact CG-CB 4.04Å
637S34.6Very low34Very low69 Ų69110.2 Ų110.248%0.48371%0.705SS.*  trans79.6144.6152.3-124.20000122.5Q596 P597Q596-S637 VanDerWaalsContact C-OG 3.31Å; Q596-S637 VanDerWaalsContact O-CB 3.23Å; Q596-S637 WeakPolarHBondContact O-CB 3.16Å; Q596-S637 PolarHBondContact O-OG 3.08Å; P597-S637 VanDerWaalsContact CD-OG 3.23Å; P597-S637 WeakPolarHBondContact CD-OG 3.34Å; P597-S637 WeakPolarHBondContact CG-OG 3.49Å
638G34.2Very low33.7Very low58 Ų58113.4 Ų113.460%0.59871%0.711SS**  104.860103.800000122.1
639V32.6Very low33.8Very low139 Ų139111 Ų11184%0.84270%0.704SS**  trans58.9149.5146.4-60.80000123.3
640S31Very low33.6Very low82 Ų82114.2 Ų114.257%0.57371%0.706SS**  trans71.782.9148.2500000123
641S30.9Very low33.5Very low87 Ų87116 Ų11661%0.60871%0.706SS**  83155.7109.673.70000124.3
642T31.4Very low33.5Very low123 Ų123114.1 Ų114.176%0.75570%0.699SS**  trans92.8113.4159.665.40000121.7
643S31.8Very low33.8Very low123 Ų123113.1 Ų113.186%0.8669%0.692SS**  trans53131.1141.7570000123.1
644G32.2Very low34Very low78 Ų78114.8 Ų114.880%0.80469%0.687SS**  trans174.942.3169.800000121.7
645H36.5Very low34.1Very low177 Ų177117 Ų11782%0.81969%0.687SS**  trans34128.2157.8-81.5-57.6000125.6
646Q32.3Very low34.7Very low137 Ų137117.2 Ų117.264%0.6470%0.701SS**  100.8129.9128.8-81.4-171.738.200124.8
647K33.5Very low34.8Very low174 Ų174118.5 Ų118.576%0.75771%0.71SS**  trans72.1123.4154.3-67.3158.9174.9153.80118.1
648Q31.7Very low34.8Very low157 Ų157122.8 Ų122.873%0.73473%0.725SS**  cis77.2139.337.3-71.6-157.5-9.900115.3
649P37.1Very low34.7Very low116 Ų116123.7 Ų123.775%0.75373%0.727SS**  -109.7160.753.1123000115.9
650L31.5Very low34.7Very low128 Ų128122.2 Ų122.267%0.6772%0.722SS**  76.7144.458.6-57172000114.1
651L34.9Very low34.7Very low157 Ų157126.7 Ų126.782%0.82273%0.734SS**  cis-129.4154.814.8-78.386.1000111.2
652S36.5Very low34.8Very low101 Ų101127.3 Ų127.371%0.70673%0.734SS**  cis75.8132.348.2-151.70000114.2
653S40.7Very low34.9Very low86 Ų86128.9 Ų128.960%0.60173%0.732SS**  cis-163.7176.6-5.537.60000110.3
654N37.1Very low34.9Very low128 Ų128128.6 Ų128.668%0.68472%0.721SS**  177.9130.997.3-83.4-19.1000115.3
655N37.3Very low35Very low133 Ų133131.9 Ų131.971%0.71172%0.719SS**  61.9145.6127.4-56.7-12.4000121.9
656T43Very low35.1Very low127 Ų127128.9 Ų128.978%0.77972%0.715SS**  cis-157.2169.458.70000110.9
657P39.3Very low35Very low108 Ų108128.2 Ų128.270%0.70172%0.724SS**  trans-130.2-140.2-145.444.4-27.9000115.6
658I34.3Very low34.9Very low159 Ų159126.9 Ų126.982%0.81573%0.725SS**  trans100.3130.5167.9-59.7169.1000115.1
659A33Very low35.2Very low77 Ų77124.5 Ų124.564%0.63673%0.726SS**  cis-167.5169.5-17.500000113.1
660C32Very low34.8Very low108 Ų108124.9 Ų124.973%0.7373%0.73SS**  trans70127.8155.3-69.70000119.9
661Q32.1Very low35Very low177 Ų177124.3 Ų124.383%0.82773%0.734SS**  81.414153.5-76.3-167.913.500112.3
662V32.4Very low34.8Very low99 Ų99122.3 Ų122.360%0.673%0.728SS**  cis-164.7159.88.6890000113
663Q32.8Very low34.4Very low156 Ų156122.5 Ų122.573%0.72973%0.729SS**  trans63.2163.6158.1-70.3170.123.700118.8
664N32.6Very low33.9Very low117 Ų117126.7 Ų126.763%0.62674%0.74SS**  cis-151143-16.2-118.7-20.1000112.6
665I34.2Very low33.5Very low148 Ų148125.7 Ų125.776%0.75974%0.738SS**  trans39.7133.1138.9-65.8171.6000120.9
666P39.4Very low33.1Very low114 Ų114125.5 Ų125.574%0.7474%0.742SS**  trans-100.1176.5-174.141.6-38.4000114.9
667C30.6Very low32.7Very low123 Ų123126.1 Ų126.183%0.83175%0.746SS**  trans-153.8151.4149.4-117.90000114.6
668N31.4Very low32.4Very low145 Ų145127.5 Ų127.578%0.77575%0.747SS**  trans-52.4154-179.7-43.6-50.9000115.8
669S37.2Very low32.5Very low107 Ų107124.8 Ų124.875%0.74874%0.74SS**  170.6104.8102.3-71.40000115.6
670C28.6Very low32.4Very low124 Ų124128.2 Ų128.284%0.83875%0.748SS**  trans58.1-162.8147.5-51.80000116.9
671P36.1Very low32.6Very low117 Ų117128.3 Ų128.376%0.7675%0.749SS**  -131.9-148.2-109.441.8-20.6000113.8
672V31.3Very low32.6Very low115 Ų115126.9 Ų126.970%0.69775%0.753SS**  trans94104.1171-1710000115.5
673S27.8Very low32.7Very low104 Ų104125.5 Ų125.573%0.72776%0.758SS**  39.7166.7126.3-45.20000123.7
674E29Very low32.6Very low175 Ų175125.9 Ų125.982%0.81877%0.765SS**  trans81.4148.2159.8-57.8-165.2-154.600118.5
675T30Very low32.7Very low107 Ų107128.6 Ų128.666%0.65678%0.777SS**  cis-155.5153.8-25.5-87.70000108.7T677T675-T677 PolarHBondContact O-N 2.73Å
676T29Very low32.5Very low129 Ų129127.7 Ų127.779%0.79178%0.779SS**  trans-51.2119.6173.2-48.70000113.8N678T676-N678 PolarHBondContact O-N 3.48Å
677T32.8Very low32.4Very low139 Ų139128 Ų12885%0.85378%0.784SS**  trans-87.891.3170.753.70000111.8T675T675-T677 PolarHBondContact O-N 2.73Å
678N33.1Very low32.5Very low137 Ų137130.1 Ų130.173%0.73378%0.781SS**  trans-83.9125.1165.2-17924.8000109.5T676 N680T676-N678 PolarHBondContact O-N 3.48Å; N678-N680 PolarHBondContact O-N 3.03Å
679P36.4Very low32.6Very low103 Ų103131.6 Ų131.667%0.66978%0.781SS**  trans-78.4101.2175.930.8-32.4000110.7
680N32.6Very low32.5Very low149 Ų149132.7 Ų132.780%0.79778%0.775SS**  trans165.7152.2131.9-87.1-48.1000114.1N678N678-N680 PolarHBondContact O-N 3.03Å
681S34.6Very low32.5Very low109 Ų109134.2 Ų134.276%0.76277%0.771SS**  trans87.1138.3158.980.60000120.7
682V33.6Very low32.5Very low148 Ų148137.4 Ų137.490%0.89778%0.778SS**  trans65.8125.2165.7-160.80000118
683G33.3Very low32.5Very low70 Ų70137.8 Ų137.872%0.72278%0.781SS**  trans165.855.4173.300000117.5
684L30.6Very low32.8Very low164 Ų164143.2 Ų143.286%0.85979%0.792SS**  trans-16125.2170.3-67.2159.5000118.5
685I34.8Very low33.1Very low174 Ų174137.9 Ų137.989%0.89278%0.784SS**  trans-144.6153.7138.618.2172.9000110.5
686T31.3Very low33.5Very low128 Ų128138.1 Ų138.179%0.78579%0.79SS**  trans-114133.3-160.950.90000114.1
687S35.7Very low33.8Very low122 Ų122138.9 Ų138.985%0.85379%0.789SS**  trans-163.6147.3147.856.70000111.1
688E32.9Very low33.8Very low166 Ų166137.5 Ų137.578%0.77679%0.785SS**  trans-74.6158.7179.9-60.4152102.700112.7
689F33.7Very low33.9Very low176 Ų176139.3 Ų139.377%0.77279%0.791SS**  -178.7139107.4-111.6-98.3000113.8
690Q34.5Very low33.7Very low131 Ų131140.3 Ų140.361%0.61280%0.796SS**  trans25.7112.4159.6-9462.7-8.400122.9
691M29.8Very low33.6Very low156 Ų156140.4 Ų140.477%0.76880%0.796SS**  27.2132.1123.5-61.4-168.2-70.200121.9
692M35.5Very low33.5Very low184 Ų184139.5 Ų139.591%0.90680%0.795SS**  -159.2147.9116.7-112.3178.1-71.300112
693T31.4Very low33.4Very low123 Ų123137.8 Ų137.876%0.75579%0.79SS**  trans-138.6127.8-170.350.90000114
694F35Very low33.4Very low218 Ų218139.4 Ų139.496%0.95679%0.79SS**  trans-153.7146.7158-71.8-79.7000108.1
695G34.7Very low33.4Very low63 Ų63136.2 Ų136.265%0.64978%0.781SS**  cis146.8139.3-7.300000112.1
696S37.9Very low33.3Very low112 Ų112136.6 Ų136.678%0.78378%0.779SS**  trans77.7149.6173.9-46.60000117.2
697N35.6Very low33.3Very low144 Ų144134.1 Ų134.177%0.7777%0.767SS**  cis-166.5145.3-15.5-106.7-16.2000112
698S33.7Very low33.2Very low110 Ų110135.2 Ų135.277%0.76976%0.763SS**  trans51.4158.7144.2-109.50000122.1
699M34.8Very low32.9Very low176 Ų176134.9 Ų134.987%0.86777%0.766SS**  cis-133.7172.55.6-64.8-168.883.400112.5
700T31.3Very low32.8Very low123 Ų123131.9 Ų131.976%0.75576%0.762SS**  trans-113.6153.8-179.651.20000114.2
701N31.1Very low32.6Very low152 Ų152131 Ų13181%0.81377%0.765SS**  trans-169.8126.6136-93.2-19.4000108.1
702A31.6Very low32.6Very low89 Ų89129.7 Ų129.774%0.73676%0.761SS**  69.2136.374.800000112.3
703S32Very low32.4Very low113 Ų113127.2 Ų127.279%0.7975%0.751SS**  cis-166.3151.3-3.242.80000105.9
704S33.5Very low32.2Very low103 Ų103126.4 Ų126.472%0.7275%0.75SS**  -177.2141.762.1350000106.4
705S30Very low32Very low97 Ų97121 Ų12168%0.67874%0.739SS**  78.39853.680.10000115.6
706H34.3Very low31.8Very low183 Ų183122.8 Ų122.885%0.84774%0.741SS**  trans168.3142.8139-88.8-58.9000109.3
707S30Very low31.6Very low76 Ų76124.4 Ų124.453%0.53174%0.736SS.*  cis156.7140.9-35.554.70000107.6
708N33.3Very low31.5Very low145 Ų145123.3 Ų123.378%0.77574%0.735SS**  trans102.9108.8165.5-49.8-22.1000114.6
709L28Very low31.4Very low159 Ų159124.6 Ų124.683%0.83273%0.728SS**  cis88.414131.3-156.1166.9000112.1
710V30.6Very low31.2Very low113 Ų113123 Ų12369%0.68572%0.719SS**  trans128.5103.1160.2172.80000115
711T31.4Very low31.1Very low112 Ų112126.9 Ų126.969%0.68772%0.72SS**  trans60.9150.1147.360.10000121.5
712D29.9Very low30.9Very low128 Ų128125 Ų12568%0.68472%0.719SS**  cis-159.5148.9-5.1-110.8-13.4000116.1
713I29.5Very low30.7Very low132 Ų132128.8 Ų128.868%0.67773%0.727SS**  trans50.5110.7136.3-60.6165.5000122.6
714S28.4Very low30.6Very low106 Ų106130.5 Ų130.574%0.74173%0.732SS**  trans66.9146.3145.480.40000120.1
715S30.9Very low30.5Very low104 Ų104128.9 Ų128.973%0.72773%0.732SS**  cis-152.7155.222.2-65.50000113.8
716C29.7Very low30.4Very low101 Ų101132 Ų13268%0.68274%0.741SS**  trans27.9123.2154.5-58.90000121.1
717E33.3Very low30.2Very low146 Ų146131.6 Ų131.668%0.68274%0.74SS**  76.6144.161.4-69.9169.7102.700114.8
718T33.7Very low30.3Very low122 Ų122136.8 Ų136.875%0.74875%0.752SS**  cis-116.1145.51.644.40000110.8
719Q31.3Very low30Very low136 Ų136137.1 Ų137.164%0.63675%0.754SS**  69.414451.1-58.1-160.63200113.1
720E32.4Very low30Very low144 Ų144134.9 Ų134.967%0.67375%0.75SS**  cis-139.9161.725-69.3178.8141.600111.7
721W29.3Very low30Very low203 Ų203134.4 Ų134.477%0.76975%0.752SS**  cis-140.9146.4-15.2-86.8-43.1000108.3
722S26.1Very low30.1Very low114 Ų114137.1 Ų137.180%0.79776%0.761SS**  trans-16487.8165.5-79.20000111.1
723N27.6Very low30Very low167 Ų167138.1 Ų138.189%0.89377%0.766SS**  trans163.3139.7151.7-90.3-28000110.8
724V30.3Very low30Very low149 Ų149137 Ų13790%0.90377%0.77SS**  trans174.8144.6130.5152.80000108
725G29.7Very low30.1Very low70 Ų70138.5 Ų138.572%0.72277%0.774SS**  trans92.370152.700000118.3
726N28.9Very low29.9Very low163 Ų163140.2 Ų140.287%0.87278%0.775SS**  trans-68.6124.4149.9-88.7-44.1000109.5
727Q30.8Very low29.9Very low174 Ų174141.5 Ų141.581%0.81378%0.781SS**  -178.5145.7126.5-105.1-178.166.500114.3
728K30.8Very low29.7Very low184 Ų184138.7 Ų138.780%0.878%0.777SS**  trans62.8148.6169.2-67.3-171.8177.4-179.70118.2
729L27.4Very low29.6Very low153 Ų153141 Ų14180%0.80178%0.779SS**  cis-169.7130.4-42.1-129.4166.7000107.8
730C28.3Very low29.6Very low111 Ų111139.1 Ų139.175%0.7578%0.781SS**  trans161.4123.5134.9-90.90000112
731S31Very low29.4Very low104 Ų104139.2 Ų139.273%0.72779%0.786SS**  trans47.2126.4136.4-56.30000120.3
732L32.3Very low29.5Very low169 Ų169136.6 Ų136.689%0.88579%0.786SS**  cis-148.9159.214-110.9156.9000111.7
733N28.4Very low29.5Very low149 Ų149134.9 Ų134.980%0.79778%0.779SS**  trans-95.3152.9-165.1-83.6-33.1000115.5
734S28.8Very low29.5Very low107 Ų107136.7 Ų136.775%0.74878%0.775SS**  trans-8.9140.1142.6-46.30000118.7
735V32.3Very low29.3Very low138 Ų138137.4 Ų137.484%0.83677%0.769SS**  trans-128.5119.1150.5178.70000108.5
736N25.5Very low29.4Very low140 Ų140141 Ų14175%0.74978%0.777SS**  trans-93.3175.6161.6-84.8-42.9000108.6
737T30.6Very low29.4Very low129 Ų129138.4 Ų138.479%0.79177%0.771SS**  trans62155165.242.90000116.2
738S29.5Very low29.3Very low87 Ų87135.3 Ų135.361%0.60877%0.769SS**  cis-168.3171.5-3646.90000106.3
739E30.9Very low29.3Very low171 Ų171132.7 Ų132.780%0.79977%0.768SS**  trans51.3102.2153.5-76.4167.1123.600119.5
740S30.4Very low29.5Very low96 Ų96132.1 Ų132.167%0.67177%0.765SS**  58.7132.2124.161.70000122.2
741D28.6Very low29.4Very low145 Ų145134 Ų13478%0.77576%0.763SS**  trans98.9146130.5-89.6-38000122.5
742L32.3Very low29.5Very low148 Ų148136.5 Ų136.578%0.77577%0.768SS**  trans53.6101.6161.1-89.371.7000120.6
743A26.4Very low29.5Very low79 Ų79132.3 Ų132.365%0.65375%0.753SS**  74.6126.3105.900000121.7
744Y27Very low29.7Very low205 Ų205133.5 Ų133.580%0.80475%0.753SS**  trans79.7137.2141.5-86.1-124.9000120.7
745Q26Very low29.6Very low163 Ų163135.8 Ų135.876%0.76275%0.752SS**  trans55.5101.5148.8-66.8175.4-7.400119.8
746T31.8Very low29.7Very low147 Ų147137.3 Ų137.390%0.90276%0.755SS**  trans-128.296.6137.254.90000109.8
747S29.2Very low29.9Very low107 Ų107136.4 Ų136.475%0.74876%0.755SS**  trans-79.3141.6162.4-62.70000109.7
748S28.7Very low30Very low109 Ų109135.5 Ų135.576%0.76275%0.753SS**  trans10.7129.9150.458.60000120
749V29.7Very low30.2Very low129 Ų129135.7 Ų135.778%0.78276%0.755SS**  trans-164.3122.4134.5123.50000111.8
750L31Very low30.4Very low141 Ų141135.4 Ų135.474%0.73876%0.759SS**  trans58.7146.1152.9-55.8178.4000120.3
751Q28.1Very low30.4Very low151 Ų151133.8 Ų133.871%0.70676%0.757SS**  cis-163.6-179.1-26.4-139.2172.34.700109.1
752N32.3Very low30.5Very low157 Ų157134.8 Ų134.884%0.8476%0.763SS**  trans90.6115.4-177.2-57.2-19.2000115.6
753S31.2Very low30.3Very low81 Ų81133.7 Ų133.757%0.56676%0.762SS**  cis176.6157.7-41.5-88.10000107.5
754H33.1Very low30.4Very low173 Ų173134.8 Ų134.880%0.80176%0.76SS**  trans69.299.5-171.3-54.4-76.9000112.8
755E28.1Very low30.3Very low155 Ų155136.5 Ų136.572%0.72477%0.767SS**  cis67.9118.630.9-135.7178.2143.100110.8
756L33Very low30.4Very low170 Ų170133.4 Ų133.489%0.8976%0.759SS**  -127.9169.165.4-76.3161.3000116
757T29.1Very low30.1Very low122 Ų122133.6 Ų133.675%0.74876%0.76SS**  trans-127.4154.2-16853.40000113.1
758S33.6Very low30.1Very low109 Ų109133.5 Ų133.576%0.76276%0.755SS**  trans-168.9107.8151-174.40000110.8
759S33Very low30Very low91 Ų91132.9 Ų132.964%0.63676%0.757SS**  trans-7.8139.2143.445.50000117.3
760D35.5Very low30.1Very low166 Ų166132.2 Ų132.289%0.88875%0.753SS**  -146.3167.251.5-99.1-43.7000114.6
761G29.9Very low29.9Very low62 Ų62134.2 Ų134.264%0.63976%0.759SS**  trans-107.9151.2-173.600000115.5
762N30.9Very low30.1Very low166 Ų166133.4 Ų133.489%0.88876%0.759SS**  trans-156161.4130.4-116-55.7000115.2
763V28.2Very low29.8Very low125 Ų125132 Ų13276%0.75876%0.757SS**  trans-72.2148.7-166.8-169.40000113
764V29.5Very low29.8Very low101 Ų101135 Ų13561%0.61277%0.765SS**  152.7121.1125.1169.80000111.1T766V764-T766 HydrophobicContact CB-CG2 4.29Å; V764-T766 HydrophobicContact CG1-CG2 3.56Å; V764-T766 PolarHBondContact O-N 3.15Å; V764-T766 VanDerWaalsContact O-N 3.07Å
765Y24.5Very low29.5Very low241 Ų241132.9 Ų132.995%0.94576%0.764SS**  trans-6996.2158.8-80.7-88.6000109.1T767Y765-T767 PolarHBondContact O-N 3.4Å
766T28.2Very low29.5Very low99 Ų99131.7 Ų131.761%0.60777%0.767SS**  trans-82112.3-176.2420000111.6V764 T768V764-T766 HydrophobicContact CB-CG2 4.29Å; V764-T766 HydrophobicContact CG1-CG2 3.56Å; V764-T766 PolarHBondContact O-N 3.15Å; V764-T766 VanDerWaalsContact O-N 3.07Å; T766-T768 VanDerWaalsContact C-N 3.29Å; T766-T768 PolarHBondContact O-N 3.12Å
767T25.6Very low29.1Very low151 Ų151129 Ų12993%0.92676%0.762SS**  trans-72.888.8155.4-60.60000107.7Y765 A769Y765-T767 PolarHBondContact O-N 3.4Å; T767-A769 PolarHBondContact O-N 3.27Å
768T29.4Very low29Very low104 Ų104130.9 Ų130.964%0.63877%0.768SS**  trans-77.8106.5-179.532.20000111.8T766 T770T766-T768 VanDerWaalsContact C-N 3.29Å; T766-T768 PolarHBondContact O-N 3.12Å; T768-T770 PolarHBondContact O-N 3.39Å
769A26.2Very low28.9Very low97 Ų97132 Ų13280%0.80277%0.77SS**  trans-72114.8153.900000108.2T767 Q771T767-A769 PolarHBondContact O-N 3.27Å; A769-Q771 PolarHBondContact O-N 3.35Å
770T31.1Very low28.6Very low114 Ų114131.9 Ų131.970%0.69978%0.775SS**  trans-79.183-175.852.10000112.3T768T768-T770 PolarHBondContact O-N 3.39Å
771Q27.5Very low28.4Very low184 Ų184131.4 Ų131.486%0.8677%0.767SS**  trans-89.890144.8-78.6-172.4-2000108.1A769 T773A769-Q771 PolarHBondContact O-N 3.35Å; Q771-T773 PolarHBondContact O-N 3.43Å
772N32Very low28.4Very low133 Ų133135.3 Ų135.371%0.71177%0.769SS**  trans-90.888.3173.6-82.621.2000110.2I774N772-I774 PolarHBondContact O-N 2.84Å
773T27.1Very low28.5Very low128 Ų128133.6 Ų133.679%0.78576%0.76SS**PPolyproline II helixtrans-69119.7154.8-57.80000107.7Q771Q771-T773 PolarHBondContact O-N 3.43Å
774I31.1Very low28.5Very low145 Ų145134.4 Ų134.474%0.74476%0.76SS**PPolyproline II helixtrans-102.7123165.7-65.5-179.4000107.8N772 V776N772-I774 PolarHBondContact O-N 2.84Å; I774-V776 PolarHBondContact O-N 3Å
775T26.2Very low28.6Very low127 Ų127134.5 Ų134.578%0.77976%0.761SS**PPolyproline II helixtrans-73.4122.8-180-18.20000110.4
776V27.8Very low28.9Very low130 Ų130131.3 Ų131.379%0.78875%0.754SS**  trans-119.9133.8152.3-179.80000106.6I774 N778I774-V776 PolarHBondContact O-N 3Å; V776-N778 PolarHBondContact O-N 2.72Å; V776-N778 VanDerWaalsContact O-N 3.15Å
777S24.9Very low28.9Very low113 Ų113131.4 Ų131.479%0.7976%0.758SS**  trans-64.2111.5-171.4-53.20000111.9
778N26.7Very low28.9Very low162 Ų162129.6 Ų129.687%0.86675%0.75SS**  trans-122.2106.4156.8-94.8-16000108.6V776V776-N778 PolarHBondContact O-N 2.72Å; V776-N778 VanDerWaalsContact O-N 3.15Å
779T30.6Very low29Very low133 Ų133130.4 Ų130.482%0.81676%0.76SS**  trans-61.5165.4156.741.50000110.1
780A27.8Very low29.1Very low88 Ų88132.9 Ų132.973%0.72776%0.76SS**  trans-56.916117500000111.4
781E30.4Very low29.3Very low156 Ų156133.4 Ų133.473%0.72977%0.765SS**  cis-154.2150.943.3-74.9-169.782.800116.1
782Q30.4Very low29.4Very low145 Ų145130 Ų13068%0.67876%0.757SS**  trans60.7155139.1-67.3-175.346.400123.4
783N32.8Very low29.2Very low130 Ų130132.2 Ų132.270%0.69576%0.763SS**  trans78.474.2153.5-59.6-24.1000121.4
784D28.6Very low29.5Very low141 Ų141135.6 Ų135.675%0.75477%0.77SS**  59.5151.5107.3-97.4-56.5000125.6
785T32.6Very low29.3Very low103 Ų103137.2 Ų137.263%0.63277%0.772SS**  trans69.6108.7151.947.70000122.8
786Q30.4Very low29.4Very low174 Ų174137.8 Ų137.881%0.81377%0.768SS**  68.6151.2123.6-63.6-171.815.300120.1
787C27.5Very low29.4Very low101 Ų101136.8 Ų136.868%0.68277%0.767SS**  cis-156.4156.8-11.3-120.40000112.9
788C26.5Very low29.8Very low113 Ų113137 Ų13776%0.76477%0.768SS**  trans8.8124.3155-55.40000121.4
789S30.9Very low30.2Very low122 Ų122133.7 Ų133.785%0.85376%0.758SS**  trans-161.2162131.2-88.80000113.3
790N27.2Very low30.2Very low149 Ų149135.6 Ų135.680%0.79776%0.763SS**PPolyproline II helixtrans-65156-169.1-50.4-55.4000115.2
791P35.6Very low30.6Very low125 Ų125138.6 Ų138.681%0.81277%0.766SS**PPolyproline II helixtrans-93.3116.9144.132.9-26.2000110.8
792V30.7Very low30.9Very low113 Ų113137.9 Ų137.969%0.68577%0.773SS**PPolyproline II helixtrans-81.4173.3157.41700000108.2
793Q26.9Very low30.9Very low178 Ų178138.1 Ų138.183%0.83278%0.779SS**  trans-30.9136174.3-56.5156.3-88.300114.6
794E32.9Very low31.1Very low199 Ų199140 Ų14093%0.9379%0.788SS**  trans-149.1173131.9-133.1164.3-155.600112.8
795K28Very low31.3Very low180 Ų180138.7 Ų138.778%0.78379%0.79SS**  trans-144.3158.2-166.3-175-160.6176-1690106.5
796I27.3Very low31.3Very low139 Ų139137.4 Ų137.471%0.71380%0.797SS**  trans89.2111169.9-50.8177.3000115.1
797S28.6Very low31.5Very low109 Ų109136.9 Ų136.976%0.76280%0.799SS**  trans43.1128.8142-48.10000123.2
798S33.7Very low31.8Very low116 Ų116136.4 Ų136.481%0.81180%0.797SS**  trans-148.7114.3148.6-59.70000105.6
799S34.6Very low32Very low93 Ų93137.1 Ų137.165%0.6579%0.793SS**  cis99.193.948.367.70000111.2
800D30.8Very low32.2Very low173 Ų173138.4 Ų138.493%0.92579%0.785SS**  trans-73.1130.9162-75.7-56.4000109.4
801L35.3Very low32.5Very low151 Ų151137.5 Ų137.579%0.79178%0.776SS**  trans-120.7122176-87.3169000109.6
802T37.1Very low32.2Very low141 Ų141138.1 Ų138.187%0.86577%0.767SS**  trans-125.3122.115748.60000109
803N30Very low32.3Very low151 Ų151138.3 Ų138.381%0.80776%0.764SS**  trans-63.6151.7-178.9-56.9-80.4000112
804L37.4Very low32.5Very low168 Ų168136.2 Ų136.288%0.8876%0.763SS**  -159.5144.5112.6-104.8164.7000111.5
805S32.6Very low32.3Very low115 Ų115132 Ų13280%0.80475%0.746SS**  trans-83.6142.9-178.450.80000112.2
806G33.4Very low32.3Very low76 Ų76128.8 Ų128.878%0.78474%0.741SS**  trans-162.757.6-17700000115.1
807L34.9Very low32.5Very low163 Ų163127 Ų12785%0.85374%0.741SS**  trans11.7126.4162.2-69.6169.8000120.7
808S33.6Very low33.1Very low90 Ų90126.7 Ų126.763%0.62974%0.736SS**  69.3128.5129.572.90000120.8
809N31.4Very low33.1Very low128 Ų128128.4 Ų128.468%0.68474%0.736SS**  58.4141.3122.8-60.537.3000117.9
810E34.7Very low33.3Very low149 Ų149129.6 Ų129.670%0.69674%0.742SS**  cis177.9-176.29.2-111.7166.8157.900103.5
811E32.4Very low33.6Very low130 Ų130125.7 Ų125.761%0.60773%0.728SS**  cis-146.2152.31.9-137.5-165.9111.700108.8
812F31.1Very low33.5Very low139 Ų139125.3 Ų125.361%0.6173%0.727SS**  trans58.4127.1146.5-83.6-146.5000120.5I815F812-I815 HydrophobicContact CE1-CD1 4.49Å
813N30.9Very low33.2Very low116 Ų116126.3 Ų126.362%0.6272%0.722SS**  67.1124.959.8-61.1-33.7000114.3I815N813-I815 HydrophobicContact CB-CD1 4.42Å; N813-I815 HydrophobicContact CB-CG1 4.45Å
814V31.4Very low33.3Very low134 Ų134124.4 Ų124.481%0.81272%0.72SS**  -141115.2126.1151.80000105.1
815I28.6Very low32.8Very low111 Ų111121 Ų12157%0.56971%0.71SS**  71.6124.264.9-66.5167.8000108.6F812 N813F812-I815 HydrophobicContact CE1-CD1 4.49Å; N813-I815 HydrophobicContact CB-CD1 4.42Å; N813-I815 HydrophobicContact CB-CG1 4.45Å
816T28.7Very low32.6Very low112 Ų112121.4 Ų121.469%0.68771%0.707SS**  cis-155.6158.816.216.40000108.4
817S31.9Very low32.3Very low102 Ų102122.1 Ų122.171%0.71370%0.701SS**  63165.769.2-30.60000113.2
818P41.4Very low31.8Very low102 Ų102122 Ų12266%0.66270%0.701SS**  cis-148.9175.718.145.6-26.2000119.9
819N33.6Very low31.5Very low152 Ų152122.4 Ų122.481%0.81370%0.704SS**  trans64.5164.1147.3-70-19000119.8
820P38.6Very low31.2Very low118 Ų118121.2 Ų121.277%0.76670%0.701SS**  cis-113.9-175.7-9.242.7-30.8000111.4
821S36.6Very low30.7Very low91 Ų91123.7 Ų123.764%0.63671%0.705SS**  cis-167.2149.7-12.835.60000110.2
822N33.7Very low30.4Very low143 Ų143124 Ų12477%0.76571%0.711SS**  trans64.7152.5154-58.7-7.9000121
823H30.8Very low30.1Very low163 Ų163123.9 Ų123.976%0.75572%0.722SS**  cis173.6147.5-45.2-111.9-68.4000107.3
824S31Very low30.1Very low110 Ų110121.7 Ų121.777%0.76973%0.726SS**  trans66.2158.4158.777.80000117.4
825S28.4Very low29.9Very low96 Ų96122.5 Ų122.567%0.67173%0.726SS**  cis-175.1166.8-27.555.70000110.2
826V28.7Very low30.3Very low124 Ų124126.1 Ų126.175%0.75274%0.74SS**  trans64.9108.2147.4168.80000118.4
827S26.4Very low30.3Very low92 Ų92127 Ų12764%0.64374%0.736SS**  46.5136.4124.2-40.20000123.5
828N24.6Very low30.2Very low159 Ų159130.7 Ų130.785%0.8574%0.74SS**  trans75.7146.1137.6-67.9-6000122
829S26.7Very low29.9Very low100 Ų100130.5 Ų130.570%0.69974%0.741SS**  trans81.9102.5153.6-162.40000120.5
830T25.4Very low29.9Very low102 Ų102128.5 Ų128.563%0.62674%0.739SS**  29.2138115.67.10000122
831Y24.4Very low29.7Very low201 Ų201127.7 Ų127.779%0.78874%0.736SS**  trans92.7122.5143.7-72.2-51.2000121.9
832L25.8Very low29.3Very low138 Ų138130 Ų13072%0.72374%0.741SS**  trans80.6104.7134.4-66.4169.6000122.4
833T25.6Very low29.3Very low136 Ų136129.4 Ų129.483%0.83474%0.737SS**  67.5144.2127.1580000122.7
834G29.6Very low29.2Very low69 Ų69129.4 Ų129.471%0.71174%0.738SS**  trans131.970.5166.200000113.8
835N27.8Very low29.4Very low152 Ų152130.1 Ų130.181%0.81374%0.737SS**  52.2106.492.1-76.5-1.1000116.4
836H35.9Very low29.3Very low186 Ų186132.8 Ų132.886%0.86174%0.744SS**  trans173.2146.6143.8-90.5-64.8000108.4
837H29.7Very low29.4Very low132 Ų132130.7 Ų130.761%0.61175%0.748SS**  cis-166.2163.5-28.7-145.8-101.3000108.5
838F30.7Very low29.5Very low178 Ų178131.4 Ų131.478%0.78175%0.752SS**  trans69.7132.9176.3-57.4-75.3000116.6
839S34Very low29.6Very low99 Ų99128.3 Ų128.369%0.69274%0.743SS**  cis-144.4142.8-1.9-82.50000112.1
840S34.1Very low29.7Very low110 Ų110130.1 Ų130.177%0.76975%0.745SS**  trans25.7139.9139.2-48.80000120.2
841S34.3Very low29.8Very low101 Ų101130.4 Ų130.471%0.70675%0.751SS**  cis169.2162.95.349.40000106.7
842N28.3Very low30.3Very low139 Ų139125.6 Ų125.674%0.74375%0.753SS**  cis-166.7174.1-0.9-120.17.6000109.4
843L34.3Very low30.6Very low130 Ų130124.9 Ų124.968%0.68175%0.75SS**  trans62.9117.1171.8-83.368.8000114.8
844E27.7Very low30.8Very low164 Ų164128.4 Ų128.477%0.76675%0.75SS**  cis67.6123.849.9-55171.398.700114.1
845V34.7Very low30.8Very low125 Ų125132.1 Ų132.176%0.75875%0.748SS**  -170.3145.5101.3147.60000110.9
846N27.4Very low30.9Very low151 Ų151129.3 Ų129.381%0.80774%0.741SS**  trans-33.4144.6172.9-46.7-61.4000116.8
847G30.1Very low30.6Very low81 Ų81125.4 Ų125.484%0.83573%0.734SS**  trans-163.568.4177.600000114.2
848S28.5Very low30.6Very low106 Ų106123.2 Ų123.274%0.74174%0.739SS**  trans-58146.1-177-53.30000115.3
849S27.7Very low30.5Very low95 Ų95120.3 Ų120.366%0.66474%0.741SS**  trans74.1162.4140.872.20000121.1
850N27.8Very low30.2Very low137 Ų137119.7 Ų119.773%0.73374%0.737SS**  trans74.192.8157.8-56.8-22.2000119.2
851S27.9Very low30.1Very low109 Ų109120.1 Ų120.176%0.76274%0.74SS**  41.5118.8121.666.20000120
852A34.8Very low29.7Very low99 Ų99123.6 Ų123.682%0.81874%0.744SS**  trans-14471.9134.600000110.4Y854A852-Y854 PolarHBondContact O-N 3.24Å; A852-Y854 VanDerWaalsContact O-N 3.15Å
853D30.9Very low29.7Very low124 Ų124128.2 Ų128.266%0.66375%0.752SS**  trans-68.6100.5161.3-132.6-65.6000108Q855D853-Q855 PolarHBondContact OD1-NE2 3.38Å
854Y30.6Very low29.6Very low210 Ų210131 Ų13182%0.82476%0.758SS**  trans-141.895.8166.6-104.4-87.8000106.8A852A852-Y854 PolarHBondContact O-N 3.24Å; A852-Y854 VanDerWaalsContact O-N 3.15Å
855Q30.8Very low29.8Very low146 Ų146129.9 Ų129.968%0.68276%0.758SS**  cis65.9163.127.9-136.6-167.499.100112.9D853D853-Q855 PolarHBondContact OD1-NE2 3.38Å
856S29Very low29.6Very low94 Ų94133.4 Ų133.466%0.65776%0.763SS**  trans69.8145.2-162.487.20000114.3
857S29.3Very low29.8Very low104 Ų104132.6 Ų132.673%0.72776%0.757SS**  cis-151.3144.2-19.242.60000108.9
858A29Very low29.8Very low86 Ų86134.7 Ų134.771%0.71175%0.754SS**  cis77.685.632.800000114.3
859S30.6Very low29.7Very low116 Ų116135.8 Ų135.881%0.81175%0.751SS**  trans-165.186165.8-80.30000107.5
860S27.3Very low29.8Very low87 Ų87139.3 Ų139.361%0.60875%0.754SS**  cis63.1102.135.4-157.20000113.3
861S30.9Very low30Very low119 Ų119139 Ų13983%0.83275%0.748SS**  trans-167.178.5169.5-77.90000105
862Q27.2Very low30Very low173 Ų173142.9 Ų142.981%0.80875%0.746SS**  4785.868.9-72.1-159.7-2.500113.5
863R28Very low29.7Very low237 Ų237143.7 Ų143.789%0.89474%0.737SS**  trans-174133.5143.4-102.4169.7-167.6-142.25.7108.6
864K31.7Very low29.6Very low187 Ų187142.5 Ų142.581%0.81374%0.738SS**  cis-166.2123.3-27.7-132.2177.2-176.3-179.90106K866K864-K866 PolarHBondContact O-N 2.88Å
865N31.5Very low29.4Very low142 Ų142136.8 Ų136.876%0.75973%0.729SS**  trans-65.7135.2165.6-84.17.5000108.4
866K32Very low29.4Very low198 Ų198134.9 Ų134.986%0.86173%0.732SS**  trans-139.3118.5159.1-167176.6179.5-173.60111K864K864-K866 PolarHBondContact O-N 2.88Å
867I30.1Very low29.4Very low135 Ų135134.8 Ų134.869%0.69273%0.731SS**  trans-69.7137.3174.5-63.2150.1000110.4
868T30.7Very low29.3Very low124 Ų124137.4 Ų137.476%0.76174%0.737SS**  trans-165.8118.1132.433.50000106.8
869D27Very low29.4Very low129 Ų129138.2 Ų138.269%0.6974%0.738SS**  57.5106.878.1-85.4-59.2000112.1
870K29.5Very low29.3Very low169 Ų169138.5 Ų138.574%0.73574%0.735SS**  -174.2152.977.2-106.2162.2-178.8176.60113.8
871H31.4Very low29.3Very low130 Ų130139.9 Ų139.960%0.60274%0.739SS**  trans63.5123.7144.5-69.5-39.7000118.9
872R27.6Very low29.3Very low192 Ų192140.2 Ų140.273%0.72574%0.74SS**  82.8146.396.9-71.1-177.7137.2137.9-1.5113.4
873D28.9Very low29.4Very low115 Ų115136.2 Ų136.262%0.61573%0.731SS**  cis-152177.6-8.1-111.3-23000108.6
874S28.7Very low29.6Very low100 Ų100129.8 Ų129.870%0.69972%0.723SS**  trans16.4145.9136.3-47.90000120
875S26.8Very low29.6Very low90 Ų90129.1 Ų129.163%0.62972%0.722SS**  cis165.9151.8-6.449.90000107.9
876S29.4Very low29.6Very low105 Ų105127.9 Ų127.973%0.73472%0.723SS**  trans59.7-172150.576.40000118.3
877S30.2Very low29.5Very low92 Ų92125.8 Ų125.864%0.64372%0.721SS**  trans61.7110.2-174.223.50000114.7
878N27.7Very low29.5Very low160 Ų160127.7 Ų127.786%0.85673%0.727SS**  67.2132.573-57-16.3000110.9
879S29.6Very low29.5Very low103 Ų103127.8 Ų127.872%0.7273%0.727SS**  cis-163146.737.462.10000115.3
880T28.3Very low29.8Very low122 Ų122127.3 Ų127.375%0.74873%0.729SS**  60104.4123.8-52.70000122.4
881V28.5Very low29.9Very low116 Ų116123 Ų12370%0.70372%0.72SS**  52.5114.9127.3-175.50000120.5
882C30.8Very low30.3Very low125 Ų125124.4 Ų124.485%0.84573%0.731SS**  177.8147.2120.2-103.60000110.7
883S30.1Very low30.7Very low90 Ų90120.8 Ų120.863%0.62973%0.726SS**  cis172116.7-35.1-98.10000108.6
884S30.9Very low31.1Very low102 Ų102121.7 Ų121.771%0.71373%0.731SS**  trans76.2151.7159.386.50000121.5
885H31.6Very low31.9Very low172 Ų172121.4 Ų121.480%0.79673%0.725SS**  trans62.1127.6166.6-63.493.9000117.6
886C32.9Very low32.7Very low116 Ų116125.2 Ų125.278%0.78473%0.73SS**  cis-146.1171.713.7-101.50000112.8
887N28.6Very low33.4Very low155 Ų155123.8 Ų123.883%0.82972%0.72SS**  trans-80.2144.6174.1-62.7-60.5000112.6
888E31.2Very low34.3Very low175 Ų175121.9 Ų121.982%0.81871%0.71SS**  trans-146.7125.2135.1-163171.3-16600110.5V890E888-V890 HydrophobicContact CG-CG2 4.17Å
889V29.1Very low35.4Very low126 Ų126118 Ų11876%0.76470%0.695SS**  trans-109.383.3-174.2-176.50000109.8
890V33.9Very low36.7Very low118 Ų118116.8 Ų116.872%0.71569%0.687SS**  trans-83.6118.1176-175.60000109.9E888 L892E888-V890 HydrophobicContact CG-CG2 4.17Å; V890-L892 PolarHBondContact O-N 2.8Å
891S31.7Very low38.4Very low79 Ų79113.8 Ų113.855%0.55267%0.671SS**  trans-66.6118.9-167.2-80.80000115.1N893S891-N893 PolarHBondContact O-N 2.64Å
892L38.9Very low40.3Very low159 Ų159113.1 Ų113.183%0.83266%0.663SS**THydrogen-bonded Turntrans-73.141168.1-83.7164000113.8V890V890-L892 PolarHBondContact O-N 2.8Å
893N36.6Very low42Very low116 Ų116113.8 Ų113.862%0.6265%0.653SS**THydrogen-bonded Turntrans-96-18.7-177.7-74.2-36000114.1S891 T895S891-N893 PolarHBondContact O-N 2.64Å; N893-T895 PolarHBondContact O-N 2.79Å
894N36.8Very low44Very low134 Ų134115.1 Ų115.172%0.71765%0.65SS**Hα-helixtrans-73-19.2-172.8-79.7-8.1000115.5K896 S897 A898N894-K896 PolarHBondContact O-N 3.05Å; N894-S897 PolarHBondContact O-N 3.2Å; N894-A898 PolarHBondContact O-N 2.82Å
895T46.4Very low46Very low94 Ų94115.1 Ų115.158%0.57764%0.641SS**Hα-helixtrans-72.4-29-175.753.10000113.8N893 S899N893-T895 PolarHBondContact O-N 2.79Å; T895-S899 PolarHBondContact O-N 2.77Å; T895-S899 PolarHBondContact O-OG 2.69Å
896K43.2Very low48.3Very low170 Ų170110.7 Ų110.774%0.73962%0.623SS**Hα-helixtrans-69.2-40.9173.3-71.5-177.5179.1175.70111.5N894 A898 S899 S900N894-K896 PolarHBondContact O-N 3.05Å; K896-A898 PolarHBondContact O-N 3.23Å; K896-S899 WeakPolarHBondContact O-CB 3.32Å; K896-S899 PolarHBondContact O-N 3.32Å; K896-S900 PolarHBondContact O-N 2.7Å; K896-S900 PolarHBondContact O-OG 2.86Å
897S43.8Very low50.6Low75 Ų75108.8 Ų108.852%0.52461%0.605SS.*Hα-helixtrans-60.8-47.3178.9-165.60000111.8N894 S899 S900 S901N894-S897 PolarHBondContact O-N 3.2Å; S897-S899 VanDerWaalsContact C-N 3.25Å; S897-S899 PolarHBondContact O-N 2.67Å; S897-S900 WeakPolarHBondContact O-CB 3.41Å; S897-S900 PolarHBondContact O-N 3.16Å; S897-S900 VanDerWaalsContact O-N 3.13Å; S897-S901 PolarHBondContact O-N 2.98Å; S897-S901 PolarHBondContact O-OG 3.34Å
898A49.7Very low53.1Low52 Ų52105.5 Ų105.543%0.4359%0.585SS.*Hα-helixtrans-57.5-35.7175.500000113.4N894 K896 I902N894-A898 PolarHBondContact O-N 2.82Å; K896-A898 PolarHBondContact O-N 3.23Å; A898-I902 WeakPolarHBondContact O-CG1 3.4Å; A898-I902 PolarHBondContact O-N 3.01Å; A898-I902 VanDerWaalsContact O-N 3.08Å
899S50.6Low55.5Low78 Ų78105.7 Ų105.755%0.54558%0.578SS.*Hα-helixtrans-68.2-40.5177.9-57.70000111.9T895 K896 S897 I902 Q903T895-S899 PolarHBondContact O-N 2.77Å; T895-S899 PolarHBondContact O-OG 2.69Å; K896-S899 WeakPolarHBondContact O-CB 3.32Å; K896-S899 PolarHBondContact O-N 3.32Å; S897-S899 VanDerWaalsContact C-N 3.25Å; S897-S899 PolarHBondContact O-N 2.67Å; S899-I902 PolarHBondContact O-N 2.88Å; S899-Q903 PolarHBondContact O-N 2.93Å; S899-Q903 VanDerWaalsContact O-N 3.1Å
900S56.3Low58.1Low78 Ų78105.7 Ų105.755%0.54557%0.568SS.*Hα-helixtrans-63-47173.7-59.50000111.6K896 S897 I902 Q903 Q904K896-S900 PolarHBondContact O-N 2.7Å; K896-S900 PolarHBondContact O-OG 2.86Å; S897-S900 WeakPolarHBondContact O-CB 3.41Å; S897-S900 PolarHBondContact O-N 3.16Å; S897-S900 VanDerWaalsContact O-N 3.13Å; S900-I902 VanDerWaalsContact C-N 3.3Å; S900-I902 PolarHBondContact O-N 3.04Å; S900-Q903 PolarHBondContact O-N 2.9Å; S900-Q903 VanDerWaalsContact O-N 3.08Å; S900-Q904 PolarHBondContact O-N 2.67Å
901S63.9Low60.5Low60 Ų60104.4 Ų104.442%0.4256%0.556SS.*Hα-helixtrans-59.7-39.5178.1-53.80000112.3S897 Q904 L905S897-S901 PolarHBondContact O-N 2.98Å; S897-S901 PolarHBondContact O-OG 3.34Å; S901-Q904 PolarHBondContact O-N 3.4Å; S901-L905 WeakPolarHBondContact O-CB 3.44Å; S901-L905 WeakPolarHBondContact O-CG 3.48Å; S901-L905 PolarHBondContact O-N 3.19Å
902I69.7Low62.9Low101 Ų101104.9 Ų104.952%0.51855%0.552SS.*Hα-helixtrans-67.1-37.5175.3-69.7168.1000111.5A898 S899 S900 N906A898-I902 WeakPolarHBondContact O-CG1 3.4Å; A898-I902 PolarHBondContact O-N 3.01Å; A898-I902 VanDerWaalsContact O-N 3.08Å; S899-I902 PolarHBondContact O-N 2.88Å; S900-I902 VanDerWaalsContact C-N 3.3Å; S900-I902 PolarHBondContact O-N 3.04Å; I902-N906 WeakPolarHBondContact O-CB 3.24Å; I902-N906 PolarHBondContact O-N 3.39Å; I902-N906 VanDerWaalsContact O-N 3.14Å; I902-N906 PolarHBondContact O-ND2 3.41Å
903Q66.5Low65.1Low139 Ų139102.5 Ų102.565%0.6554%0.539SS*.Hα-helixtrans-66.5-40.2173-74.2-159.12.600112.4S899 S900 N906 N907S899-Q903 PolarHBondContact O-N 2.93Å; S899-Q903 VanDerWaalsContact O-N 3.1Å; S900-Q903 PolarHBondContact O-N 2.9Å; S900-Q903 VanDerWaalsContact O-N 3.08Å; Q903-N906 PolarHBondContact O-N 2.56Å; Q903-N907 PolarHBondContact O-N 3.33Å; Q903-N907 PolarHBondContact O-ND2 3.39Å
904Q71.2Confident67.4Low119 Ų119103.2 Ų103.256%0.55654%0.538SS*.Hα-helixtrans-63.8-50.4178.5179.5163.6-21.800111.7S900 S901 N906 N907 E908S900-Q904 PolarHBondContact O-N 2.67Å; S901-Q904 PolarHBondContact O-N 3.4Å; Q904-N906 PolarHBondContact O-N 3.42Å; Q904-N907 CarbonylContact O-C 3.48Å; Q904-N907 WeakPolarHBondContact O-CA 3.39Å; Q904-N907 WeakPolarHBondContact O-CB 3.26Å; Q904-N907 PolarHBondContact O-N 3.13Å; Q904-E908 HydrophobicContact CG-CG 4.48Å; Q904-E908 WeakPolarHBondContact CG-OE1 3.11Å; Q904-E908 PolarHBondContact NE2-OE1 2.81Å; Q904-E908 PolarHBondContact O-N 2.98Å
905L74.4Confident69.7Low102 Ų10298.7 Ų98.753%0.53451%0.514SS..Hα-helixtrans-57-33.9173.7-72.3167.5000112.8S901 R909S901-L905 WeakPolarHBondContact O-CB 3.44Å; S901-L905 WeakPolarHBondContact O-CG 3.48Å; S901-L905 PolarHBondContact O-N 3.19Å; L905-R909 WeakPolarHBondContact O-CB 3.18Å; L905-R909 WeakPolarHBondContact O-CG 3.12Å; L905-R909 PolarHBondContact O-N 3.4Å
906N79.9Confident71.6Confident78 Ų7897.8 Ų97.842%0.41751%0.508SS..Hα-helixtrans-73.3-28.4174.2-84.9-66.9000113.2I902 Q903 Q904 K910I902-N906 WeakPolarHBondContact O-CB 3.24Å; I902-N906 PolarHBondContact O-N 3.39Å; I902-N906 VanDerWaalsContact O-N 3.14Å; I902-N906 PolarHBondContact O-ND2 3.41Å; Q903-N906 PolarHBondContact O-N 2.56Å; Q904-N906 PolarHBondContact O-N 3.42Å; N906-K910 VanDerWaalsContact O-CG 3.24Å; N906-K910 WeakPolarHBondContact O-CG 3.34Å; N906-K910 PolarHBondContact O-N 3.18Å
907N80.2Confident73.8Confident76 Ų7693.6 Ų93.641%0.40649%0.493SS..Hα-helixtrans-78.3-41.9174.6-69.8-21.7000111.3Q903 Q904 R909 K910 I911Q903-N907 PolarHBondContact O-N 3.33Å; Q903-N907 PolarHBondContact O-ND2 3.39Å; Q904-N907 CarbonylContact O-C 3.48Å; Q904-N907 WeakPolarHBondContact O-CA 3.39Å; Q904-N907 WeakPolarHBondContact O-CB 3.26Å; Q904-N907 PolarHBondContact O-N 3.13Å; N907-R909 VanDerWaalsContact C-N 3.35Å; N907-R909 PolarHBondContact O-N 3.41Å; N907-K910 WeakPolarHBondContact O-CB 3.39Å; N907-K910 PolarHBondContact O-N 3.24Å; N907-K910 VanDerWaalsContact O-N 3.11Å; N907-K910 PolarHBondContact OD1-NZ 2.9Å; N907-I911 WeakPolarHBondContact O-CG1 3.37Å; N907-I911 PolarHBondContact O-N 2.77Å
908E81.7Confident75.9Confident86 Ų8693.3 Ų93.340%0.40249%0.488SS..Hα-helixtrans-58-45.3171.1-70.6161.7-175.500111.1Q904 K910 I911 L912Q904-E908 HydrophobicContact CG-CG 4.48Å; Q904-E908 WeakPolarHBondContact CG-OE1 3.11Å; Q904-E908 PolarHBondContact NE2-OE1 2.81Å; Q904-E908 PolarHBondContact O-N 2.98Å; E908-K910 PolarHBondContact O-N 2.8Å; E908-I911 PolarHBondContact O-N 3.39Å; E908-L912 PolarHBondContact O-N 3.31Å
909R81.6Confident77.7Confident180 Ų18092.2 Ų92.268%0.67948%0.476SS*.Hα-helixtrans-58.2-41.8171.5-86.5-178154.6-162.4-5.6113.5L905 N907 L912 I913L905-R909 WeakPolarHBondContact O-CB 3.18Å; L905-R909 WeakPolarHBondContact O-CG 3.12Å; L905-R909 PolarHBondContact O-N 3.4Å; N907-R909 VanDerWaalsContact C-N 3.35Å; N907-R909 PolarHBondContact O-N 3.41Å; R909-L912 PolarHBondContact O-N 2.84Å; R909-I913 WeakPolarHBondContact O-CB 3.36Å; R909-I913 WeakPolarHBondContact O-CD1 3.48Å; R909-I913 WeakPolarHBondContact O-CG1 3.03Å; R909-I913 PolarHBondContact O-N 3.21Å
910K82.6Confident79.4Confident126 Ų12691.9 Ų91.955%0.54847%0.468SS..Hα-helixtrans-63.1-43.8175.5-71.4163.7-159.3161.90111.2N906 N907 E908 I913 H914N906-K910 VanDerWaalsContact O-CG 3.24Å; N906-K910 WeakPolarHBondContact O-CG 3.34Å; N906-K910 PolarHBondContact O-N 3.18Å; N907-K910 WeakPolarHBondContact O-CB 3.39Å; N907-K910 PolarHBondContact O-N 3.24Å; N907-K910 VanDerWaalsContact O-N 3.11Å; N907-K910 PolarHBondContact OD1-NZ 2.9Å; E908-K910 PolarHBondContact O-N 2.8Å; K910-I913 PolarHBondContact O-N 2.91Å; K910-H914 WeakPolarHBondContact O-CB 3.44Å; K910-H914 PolarHBondContact O-N 3.12Å
911I85.2Confident80.8Confident91 Ų9192.8 Ų92.847%0.46747%0.466SS..Hα-helixtrans-60.4-49.2178-67.8163.1000109.8N907 E908 I913 H914 L915 F949N907-I911 WeakPolarHBondContact O-CG1 3.37Å; N907-I911 PolarHBondContact O-N 2.77Å; E908-I911 PolarHBondContact O-N 3.39Å; I911-I913 PolarHBondContact O-N 2.85Å; I911-H914 PolarHBondContact O-N 3.09Å; I911-H914 VanDerWaalsContact O-N 3.14Å; I911-L915 WeakPolarHBondContact O-CB 3.41Å; I911-L915 PolarHBondContact O-N 2.86Å; I911-F949 HydrophobicContact CG2-CE1 3.78Å; I911-F949 HydrophobicContact CG2-CZ 3.58Å
912L82.5Confident81.8Confident89 Ų8993.8 Ų93.847%0.46647%0.466SS..Hα-helixtrans-60.9-42.9178.2-173.965.7000112.5E908 R909 H914 L915 V916E908-L912 PolarHBondContact O-N 3.31Å; R909-L912 PolarHBondContact O-N 2.84Å; L912-H914 VanDerWaalsContact C-N 3.33Å; L912-H914 PolarHBondContact O-N 2.85Å; L912-L915 HydrophobicContact CD1-CD2 4.43Å; L912-L915 WeakPolarHBondContact O-CB 3.31Å; L912-L915 PolarHBondContact O-N 3.12Å; L912-V916 WeakPolarHBondContact O-CG2 3.42Å; L912-V916 PolarHBondContact O-N 3.09Å
913I85.4Confident82.5Confident108 Ų10892 Ų9255%0.55446%0.457SS*.Hα-helixtrans-61-43.4174.3-70.4163.9000110.7R909 K910 I911 V916 L917R909-I913 WeakPolarHBondContact O-CB 3.36Å; R909-I913 WeakPolarHBondContact O-CD1 3.48Å; R909-I913 WeakPolarHBondContact O-CG1 3.03Å; R909-I913 PolarHBondContact O-N 3.21Å; K910-I913 PolarHBondContact O-N 2.91Å; I911-I913 PolarHBondContact O-N 2.85Å; I913-V916 PolarHBondContact O-N 3.18Å; I913-L917 HydrophobicContact CG2-CD1 4.04Å; I913-L917 VanDerWaalsContact O-CG 3.3Å; I913-L917 WeakPolarHBondContact O-CG 3.37Å; I913-L917 PolarHBondContact O-N 3.46Å
914H83.8Confident83.3Confident132 Ų13289.9 Ų89.961%0.61145%0.447SS*.Hα-helixtrans-66.2-38.9178.8-147-84.9000111.8K910 I911 L912 L917 V918K910-H914 WeakPolarHBondContact O-CB 3.44Å; K910-H914 PolarHBondContact O-N 3.12Å; I911-H914 PolarHBondContact O-N 3.09Å; I911-H914 VanDerWaalsContact O-N 3.14Å; L912-H914 VanDerWaalsContact C-N 3.33Å; L912-H914 PolarHBondContact O-N 2.85Å; H914-L917 PolarHBondContact O-N 3.11Å; H914-V918 WeakPolarHBondContact O-CG2 3.29Å; H914-V918 PolarHBondContact O-N 3.07Å
915L85.1Confident83.8Confident38 Ų3887.1 Ų87.120%0.19944%0.436CS..Hα-helixtrans-60.6-48.8174.8-16080.7000111.4I911 L912 L917 V918 V919 L945 F949I911-L915 WeakPolarHBondContact O-CB 3.41Å; I911-L915 PolarHBondContact O-N 2.86Å; L912-L915 HydrophobicContact CD1-CD2 4.43Å; L912-L915 WeakPolarHBondContact O-CB 3.31Å; L912-L915 PolarHBondContact O-N 3.12Å; L915-L917 PolarHBondContact O-N 3Å; L915-V918 PolarHBondContact O-N 3.47Å; L915-V919 WeakPolarHBondContact O-CG2 3.5Å; L915-V919 PolarHBondContact O-N 2.82Å; L915-L945 HydrophobicContact CD1-CD1 4.42Å; L915-L945 HydrophobicContact CD1-CD2 3.95Å; L915-L945 HydrophobicContact CD1-CG 4.36Å; L915-L945 HydrophobicContact CD2-CD2 4.03Å; L915-L945 HydrophobicContact CD2-CG 4.11Å; L915-L945 HydrophobicContact CG-CD2 3.93Å; L915-L945 HydrophobicContact CG-CG 4.47Å; L915-F949 HydrophobicContact CD1-CE2 3.83Å; L915-F949 HydrophobicContact CD1-CZ 4.38Å; L915-F949 HydrophobicContact CD2-CD2 3.72Å; L915-F949 HydrophobicContact CD2-CE2 3.55Å; L915-F949 HydrophobicContact CD2-CG 4.5Å; L915-F949 HydrophobicContact CD2-CZ 4.22Å; L915-F949 HydrophobicContact CG-CE2 4.32Å
916V86.6Confident84.3Confident75 Ų7583.3 Ų83.346%0.45542%0.416SS..Hα-helixtrans-62.4-41.4177169.50000111.3L912 I913 V919 I920L912-V916 WeakPolarHBondContact O-CG2 3.42Å; L912-V916 PolarHBondContact O-N 3.09Å; I913-V916 PolarHBondContact O-N 3.18Å; V916-V919 PolarHBondContact O-N 3.22Å; V916-I920 HydrophobicContact CG1-CD1 3.8Å; V916-I920 HydrophobicContact CG1-CG1 4.47Å; V916-I920 WeakPolarHBondContact O-CB 3.21Å; V916-I920 VanDerWaalsContact O-CG1 3.28Å; V916-I920 WeakPolarHBondContact O-CG1 3.44Å; V916-I920 PolarHBondContact O-N 3.37Å
917L88.8Confident84.4Confident82 Ų8289 Ų8943%0.42943%0.432SS..Hα-helixtrans-64.5-38175.1-72.1170.9000112.5I913 H914 L915 I920 N921I913-L917 HydrophobicContact CG2-CD1 4.04Å; I913-L917 VanDerWaalsContact O-CG 3.3Å; I913-L917 WeakPolarHBondContact O-CG 3.37Å; I913-L917 PolarHBondContact O-N 3.46Å; H914-L917 PolarHBondContact O-N 3.11Å; L915-L917 PolarHBondContact O-N 3Å; L917-I920 PolarHBondContact O-N 3.35Å; L917-N921 WeakPolarHBondContact O-CB 3.49Å; L917-N921 VanDerWaalsContact O-CG 3.31Å; L917-N921 PolarHBondContact O-N 2.96Å; L917-N921 PolarHBondContact O-ND2 3.43Å
918V89Confident84.5Confident69 Ų6994.1 Ų94.142%0.41845%0.445SS..Hα-helixtrans-63.5-46.4173.1167.60000111H914 L915 I920 N921 I922H914-V918 WeakPolarHBondContact O-CG2 3.29Å; H914-V918 PolarHBondContact O-N 3.07Å; L915-V918 PolarHBondContact O-N 3.47Å; V918-I920 PolarHBondContact O-N 3.32Å; V918-N921 PolarHBondContact O-N 3.45Å; V918-I922 HydrophobicContact CG1-CD1 3.8Å; V918-I922 HydrophobicContact CG1-CG1 4.49Å; V918-I922 WeakPolarHBondContact O-CG1 3.37Å; V918-I922 PolarHBondContact O-N 2.96Å
919V86.4Confident84.5Confident30 Ų3097.4 Ų97.418%0.18245%0.454CS..Hα-helixtrans-59.5-44.4175.8170.20000111.5L915 V916 N921 I922 I923 V942 L945L915-V919 WeakPolarHBondContact O-CG2 3.5Å; L915-V919 PolarHBondContact O-N 2.82Å; V916-V919 PolarHBondContact O-N 3.22Å; V919-N921 PolarHBondContact O-N 2.86Å; V919-I922 PolarHBondContact O-N 3.39Å; V919-I923 HydrophobicContact CG1-CD1 3.87Å; V919-I923 WeakPolarHBondContact O-CG1 3.23Å; V919-I923 PolarHBondContact O-N 2.94Å; V919-V942 HydrophobicContact CG1-CG2 3.63Å; V919-V942 HydrophobicContact CG2-CG2 4.23Å; V919-L945 HydrophobicContact CG2-CD2 4.36Å
920I87.4Confident84.2Confident71 Ų7197.5 Ų97.536%0.36446%0.459SS..Hα-helixtrans-61.3-43176.3-71.2166.6000111.1V916 L917 V918 I923 Q924V916-I920 HydrophobicContact CG1-CD1 3.8Å; V916-I920 HydrophobicContact CG1-CG1 4.47Å; V916-I920 WeakPolarHBondContact O-CB 3.21Å; V916-I920 VanDerWaalsContact O-CG1 3.28Å; V916-I920 WeakPolarHBondContact O-CG1 3.44Å; V916-I920 PolarHBondContact O-N 3.37Å; L917-I920 PolarHBondContact O-N 3.35Å; V918-I920 PolarHBondContact O-N 3.32Å; I920-I923 PolarHBondContact O-N 2.99Å; I920-Q924 WeakPolarHBondContact O-CG 3.03Å; I920-Q924 PolarHBondContact O-N 3.4Å
921N85.5Confident84Confident97 Ų9798.4 Ų98.452%0.51946%0.459SS..Hα-helixtrans-65-40.1177.1-75.6-38.4000112.3L917 V918 V919 Q924 D925L917-N921 WeakPolarHBondContact O-CB 3.49Å; L917-N921 VanDerWaalsContact O-CG 3.31Å; L917-N921 PolarHBondContact O-N 2.96Å; L917-N921 PolarHBondContact O-ND2 3.43Å; V918-N921 PolarHBondContact O-N 3.45Å; V919-N921 PolarHBondContact O-N 2.86Å; N921-Q924 PolarHBondContact O-N 3.29Å; N921-D925 PolarHBondContact O-N 2.63Å
922I85.2Confident83.4Confident81 Ų8198.6 Ų98.642%0.41547%0.465SS..Hα-helixtrans-62.1-44.6174.4-68.6164.8000110.8V918 V919 Q924 D925 L926V918-I922 HydrophobicContact CG1-CD1 3.8Å; V918-I922 HydrophobicContact CG1-CG1 4.49Å; V918-I922 WeakPolarHBondContact O-CG1 3.37Å; V918-I922 PolarHBondContact O-N 2.96Å; V919-I922 PolarHBondContact O-N 3.39Å; I922-Q924 VanDerWaalsContact C-N 3.33Å; I922-Q924 PolarHBondContact O-N 3.33Å; I922-D925 PolarHBondContact O-N 2.96Å; I922-L926 HydrophobicContact CG2-CD1 3.97Å; I922-L926 HydrophobicContact CG2-CG 4.38Å; I922-L926 WeakPolarHBondContact O-CB 3.47Å; I922-L926 WeakPolarHBondContact O-CG 3.47Å; I922-L926 PolarHBondContact O-N 2.84Å
923I83.7Confident83Confident63 Ų63102.6 Ų102.632%0.32348%0.48SS..Hα-helixtrans-60.9-42.4175.4-69164.7000110.9V919 I920 R927 L935 V938V919-I923 HydrophobicContact CG1-CD1 3.87Å; V919-I923 WeakPolarHBondContact O-CG1 3.23Å; V919-I923 PolarHBondContact O-N 2.94Å; I920-I923 PolarHBondContact O-N 2.99Å; I923-R927 VanDerWaalsContact O-CB 3.3Å; I923-R927 WeakPolarHBondContact O-CB 3.39Å; I923-R927 PolarHBondContact O-N 3.41Å; I923-L935 HydrophobicContact CG2-CD2 4.48Å; I923-V938 HydrophobicContact CD1-CG1 4.02Å; I923-V938 HydrophobicContact CG1-CG1 3.84Å
924Q82.6Confident82.5Confident94 Ų94101.3 Ų101.344%0.43947%0.474SS..Hα-helixtrans-65.7-40.7177.3-73.2-175.739.400112.6I920 N921 I922 R927 R928I920-Q924 WeakPolarHBondContact O-CG 3.03Å; I920-Q924 PolarHBondContact O-N 3.4Å; N921-Q924 PolarHBondContact O-N 3.29Å; I922-Q924 VanDerWaalsContact C-N 3.33Å; I922-Q924 PolarHBondContact O-N 3.33Å; Q924-R927 PolarHBondContact O-N 2.98Å; Q924-R928 WeakPolarHBondContact O-CG 3.35Å; Q924-R928 PolarHBondContact O-N 2.66Å
925D83.1Confident82Confident61 Ų6197.6 Ų97.633%0.32646%0.459SS..Hα-helixtrans-69.2-44.3177.8-173.436000112.1N921 I922 R927 R928 R929N921-D925 PolarHBondContact O-N 2.63Å; I922-D925 PolarHBondContact O-N 2.96Å; D925-R927 PolarHBondContact O-N 2.98Å; D925-R928 PolarHBondContact O-N 2.84Å; D925-R928 VanDerWaalsContact O-N 3.13Å; D925-R929 WeakPolarHBondContact O-CG 3.42Å; D925-R929 PolarHBondContact O-N 2.83Å; D925-R929 IonicContact OD1-CZ 3.57Å; D925-R929 IonicContact OD1-NE 2.84Å; D925-R929 PolarHBondContact OD1-NE 2.87Å; D925-R929 IonicContact OD1-NH2 3.46Å; D925-R929 PolarHBondContact OD1-NH2 3.46Å; D925-R929 IonicContact OD2-CZ 3.22Å; D925-R929 VanDerWaalsContact OD2-CZ 3.22Å; D925-R929 IonicContact OD2-NE 2.92Å; D925-R929 PolarHBondContact OD2-NE 2.98Å; D925-R929 IonicContact OD2-NH2 2.73Å; D925-R929 PolarHBondContact OD2-NH2 3.33Å
926L83.4Confident81.6Confident23 Ų2399.3 Ų99.312%0.1248%0.479CS..Hα-helixtrans-57.2-38.6172.5-72.4174.6000111.9I922 K930 R931 L934 L935 V938I922-L926 HydrophobicContact CG2-CD1 3.97Å; I922-L926 HydrophobicContact CG2-CG 4.38Å; I922-L926 WeakPolarHBondContact O-CB 3.47Å; I922-L926 WeakPolarHBondContact O-CG 3.47Å; I922-L926 PolarHBondContact O-N 2.84Å; L926-K930 PolarHBondContact O-N 3.12Å; L926-R931 HydrophobicContact CD2-CB 4.16Å; L926-R931 PolarHBondContact O-N 2.89Å; L926-L934 HydrophobicContact CD1-CB 4.36Å; L926-L934 HydrophobicContact CD2-CB 3.89Å; L926-L934 HydrophobicContact CD2-CD2 3.9Å; L926-L935 HydrophobicContact CB-CD2 3.77Å; L926-L935 HydrophobicContact CD1-CD2 4.01Å; L926-V938 HydrophobicContact CD1-CG2 3.61Å
927R83Confident81.2Confident196 Ų19699.8 Ų99.874%0.7448%0.481SS*.Hα-helixtrans-68.2-42.8175-159.1177.9-152.6169.47.7112.1I923 Q924 D925 K930I923-R927 VanDerWaalsContact O-CB 3.3Å; I923-R927 WeakPolarHBondContact O-CB 3.39Å; I923-R927 PolarHBondContact O-N 3.41Å; Q924-R927 PolarHBondContact O-N 2.98Å; D925-R927 PolarHBondContact O-N 2.98Å; R927-K930 PolarHBondContact O-N 3.39Å
928R81.7Confident80.7Confident185 Ų18596.9 Ų96.970%0.69847%0.467SS*.Hα-helixtrans-61.7-46.3175.2-77.4177.6-179.6-138.73.4112.1Q924 D925 K930Q924-R928 WeakPolarHBondContact O-CG 3.35Å; Q924-R928 PolarHBondContact O-N 2.66Å; D925-R928 PolarHBondContact O-N 2.84Å; D925-R928 VanDerWaalsContact O-N 3.13Å; R928-K930 PolarHBondContact O-N 3.39Å; R928-K930 VanDerWaalsContact O-N 3.14Å
929R81.6Confident80.1Confident155 Ų15597.3 Ų97.359%0.58547%0.471SS*.THydrogen-bonded Turntrans-768.5-179.8-59.8-172.3-157.5-142.415.7114.1D925 R931D925-R929 WeakPolarHBondContact O-CG 3.42Å; D925-R929 PolarHBondContact O-N 2.83Å; D925-R929 IonicContact OD1-CZ 3.57Å; D925-R929 IonicContact OD1-NE 2.84Å; D925-R929 PolarHBondContact OD1-NE 2.87Å; D925-R929 IonicContact OD1-NH2 3.46Å; D925-R929 PolarHBondContact OD1-NH2 3.46Å; D925-R929 IonicContact OD2-CZ 3.22Å; D925-R929 VanDerWaalsContact OD2-CZ 3.22Å; D925-R929 IonicContact OD2-NE 2.92Å; D925-R929 PolarHBondContact OD2-NE 2.98Å; D925-R929 IonicContact OD2-NH2 2.73Å; D925-R929 PolarHBondContact OD2-NH2 3.33Å; R929-R931 HydrophobicContact CB-CG 4.21Å; R929-R931 PolarHBondContact O-N 2.92Å
930K75.3Confident79.9Confident181 Ų181103.5 Ų103.579%0.78750%0.496SS*.THydrogen-bonded Turntrans53.620.3-176.1-56.7-177.5-178.4178.50114.5L926 R927 R928 V932L926-K930 PolarHBondContact O-N 3.12Å; R927-K930 PolarHBondContact O-N 3.39Å; R928-K930 PolarHBondContact O-N 3.39Å; R928-K930 VanDerWaalsContact O-N 3.14Å; K930-V932 PolarHBondContact O-N 3.49Å
931R77.9Confident79.5Confident146 Ų146106 Ų10655%0.55150%0.504SS*.  trans-81.953.3-178.7-70.5-172.2174.6-174-3.1111.5L926 R929 H933 L934L926-R931 HydrophobicContact CD2-CB 4.16Å; L926-R931 PolarHBondContact O-N 2.89Å; R929-R931 HydrophobicContact CB-CG 4.21Å; R929-R931 PolarHBondContact O-N 2.92Å; R931-H933 PolarHBondContact O-N 3.3Å; R931-L934 PolarHBondContact O-N 3.04Å
932V72.9Confident79.2Confident95 Ų95103.7 Ų103.758%0.57649%0.493SS*.G310 helixtrans-57.5-36.6-173-177.30000111.9K930 L934 L935K930-V932 PolarHBondContact O-N 3.49Å; V932-L934 PolarHBondContact O-N 3.25Å; V932-L935 HydrophobicContact CG1-CD1 4.37Å; V932-L935 VanDerWaalsContact O-CB 3.28Å; V932-L935 WeakPolarHBondContact O-CB 3.3Å; V932-L935 PolarHBondContact O-N 3.04Å
933H75.1Confident78.8Confident172 Ų172104 Ų10480%0.79650%0.501SS*.G310 helixtrans-59.1-29.1176.2-61.7-77.6000114R931 L935R931-H933 PolarHBondContact O-N 3.3Å; H933-L935 VanDerWaalsContact C-N 3.31Å
934L75Confident78.5Confident82 Ų82106.7 Ų106.743%0.42951%0.513SS..G310 helixtrans-76.3-17.4175.6-92.168.3000112.9L926 R931 V932 A936 V937 V938L926-L934 HydrophobicContact CD1-CB 4.36Å; L926-L934 HydrophobicContact CD2-CB 3.89Å; L926-L934 HydrophobicContact CD2-CD2 3.9Å; R931-L934 PolarHBondContact O-N 3.04Å; V932-L934 PolarHBondContact O-N 3.25Å; L934-A936 PolarHBondContact O-N 3.35Å; L934-V937 WeakPolarHBondContact O-CB 3.39Å; L934-V937 PolarHBondContact O-N 3.32Å; L934-V938 PolarHBondContact O-N 3.48Å
935L73.2Confident78.2Confident53 Ų53104.3 Ų104.328%0.27750%0.503SS..G310 helixtrans-64.9-21.3175.4-62.4175000112.1I923 L926 V932 H933 V937 V938 P939I923-L935 HydrophobicContact CG2-CD2 4.48Å; L926-L935 HydrophobicContact CB-CD2 3.77Å; L926-L935 HydrophobicContact CD1-CD2 4.01Å; V932-L935 HydrophobicContact CG1-CD1 4.37Å; V932-L935 VanDerWaalsContact O-CB 3.28Å; V932-L935 WeakPolarHBondContact O-CB 3.3Å; V932-L935 PolarHBondContact O-N 3.04Å; H933-L935 VanDerWaalsContact C-N 3.31Å; L935-V937 VanDerWaalsContact C-N 3.26Å; L935-V937 PolarHBondContact O-N 2.91Å; L935-V938 HydrophobicContact CD2-CG2 4.39Å; L935-V938 PolarHBondContact O-N 3.11Å; L935-P939 WeakPolarHBondContact O-CD 3.49Å
936A75.5Confident78Confident75 Ų75105.7 Ų105.762%0.6251%0.513SS*.G310 helixtrans-70.5-19.9171.200000113.6L934L934-A936 PolarHBondContact O-N 3.35Å
937V79.9Confident77.7Confident84 Ų84108.5 Ų108.551%0.50954%0.54SS..THydrogen-bonded Turntrans-85.4-29.1176.2-172.40000111.1L934 L935 K940 F941L934-V937 WeakPolarHBondContact O-CB 3.39Å; L934-V937 PolarHBondContact O-N 3.32Å; L935-V937 VanDerWaalsContact C-N 3.26Å; L935-V937 PolarHBondContact O-N 2.91Å; V937-K940 PolarHBondContact O-N 3.38Å; V937-K940 VanDerWaalsContact O-N 3.08Å; V937-F941 PolarHBondContact O-N 3Å
938V77.1Confident77.4Confident21 Ų21109 Ų10913%0.12754%0.542CS..Hα-helixtrans-56.9-45.4-176.7179.40000112.9I923 L926 L934 L935 K940 F941 V942I923-V938 HydrophobicContact CD1-CG1 4.02Å; I923-V938 HydrophobicContact CG1-CG1 3.84Å; L926-V938 HydrophobicContact CD1-CG2 3.61Å; L934-V938 PolarHBondContact O-N 3.48Å; L935-V938 HydrophobicContact CD2-CG2 4.39Å; L935-V938 PolarHBondContact O-N 3.11Å; V938-K940 VanDerWaalsContact C-N 3.32Å; V938-K940 PolarHBondContact O-N 3.34Å; V938-F941 PolarHBondContact O-N 2.89Å; V938-V942 HydrophobicContact CG1-CG2 3.95Å; V938-V942 WeakPolarHBondContact O-CB 3.2Å; V938-V942 VanDerWaalsContact O-CG2 3.31Å; V938-V942 WeakPolarHBondContact O-CG2 3.41Å; V938-V942 PolarHBondContact O-N 3.25Å
939P77.6Confident76.9Confident78 Ų78107.5 Ų107.551%0.50654%0.541SS..Hα-helixtrans-56.4-42.5174.5-27.835.2000113.3L935 V942 C943L935-P939 WeakPolarHBondContact O-CD 3.49Å; P939-V942 PolarHBondContact O-N 3.3Å; P939-C943 WeakPolarHBondContact O-CB 3.49Å; P939-C943 PolarHBondContact O-N 3.24Å; P939-C943 PolarHBondContact O-SG 3.37Å
940K81Confident76.6Confident161 Ų161105.2 Ų105.270%0.754%0.538SS*.Hα-helixtrans-64.4-44.4177.3-66-171.8176.6-173.90111.5V937 V938 C943 Q944V937-K940 PolarHBondContact O-N 3.38Å; V937-K940 VanDerWaalsContact O-N 3.08Å; V938-K940 VanDerWaalsContact C-N 3.32Å; V938-K940 PolarHBondContact O-N 3.34Å; K940-C943 PolarHBondContact O-N 2.9Å; K940-Q944 VanDerWaalsContact O-CB 3.31Å; K940-Q944 WeakPolarHBondContact O-CB 3.24Å; K940-Q944 PolarHBondContact O-N 3.46Å
941F79.3Confident76.7Confident124 Ų124101.2 Ų101.254%0.54453%0.525SS..Hα-helixtrans-66.4-39.6178.6-161-89.8000111.9V937 V938 Q944 L945V937-F941 PolarHBondContact O-N 3Å; V938-F941 PolarHBondContact O-N 2.89Å; F941-Q944 PolarHBondContact O-N 3.05Å; F941-L945 WeakPolarHBondContact O-CB 3.35Å; F941-L945 PolarHBondContact O-N 3.25Å
942V79.2Confident76.6Confident47 Ų4798.7 Ų98.729%0.28552%0.524SS..Hα-helixtrans-65.7-46.3174.8171.40000110.9V919 V938 P939 Q944 L945 V946V919-V942 HydrophobicContact CG1-CG2 3.63Å; V919-V942 HydrophobicContact CG2-CG2 4.23Å; V938-V942 HydrophobicContact CG1-CG2 3.95Å; V938-V942 WeakPolarHBondContact O-CB 3.2Å; V938-V942 VanDerWaalsContact O-CG2 3.31Å; V938-V942 WeakPolarHBondContact O-CG2 3.41Å; V938-V942 PolarHBondContact O-N 3.25Å; P939-V942 PolarHBondContact O-N 3.3Å; V942-Q944 VanDerWaalsContact C-N 3.34Å; V942-Q944 PolarHBondContact O-N 3.23Å; V942-L945 PolarHBondContact O-N 2.81Å; V942-V946 HydrophobicContact CG1-CG2 4.23Å; V942-V946 VanDerWaalsContact O-CB 3.31Å; V942-V946 WeakPolarHBondContact O-CB 3.26Å; V942-V946 VanDerWaalsContact O-CG2 3.25Å; V942-V946 WeakPolarHBondContact O-CG2 3.41Å; V942-V946 PolarHBondContact O-N 3.15Å
943C75.8Confident76.9Confident87 Ų8798.9 Ų98.959%0.58852%0.521SS*.Hα-helixtrans-60.4-42174.5-71.50000112.2P939 K940 L945 V946 A947P939-C943 WeakPolarHBondContact O-CB 3.49Å; P939-C943 PolarHBondContact O-N 3.24Å; P939-C943 PolarHBondContact O-SG 3.37Å; K940-C943 PolarHBondContact O-N 2.9Å; C943-L945 VanDerWaalsContact C-N 3.32Å; C943-L945 PolarHBondContact O-N 3.17Å; C943-V946 PolarHBondContact O-N 2.77Å; C943-A947 VanDerWaalsContact O-CB 3.24Å; C943-A947 WeakPolarHBondContact O-CB 3.28Å; C943-A947 PolarHBondContact O-N 3.15Å
944Q77.9Confident77Confident121 Ų12194.3 Ų94.357%0.56550%0.504SS*.Hα-helixtrans-72.4-25179.1-167.1170.923.900113.2K940 F941 V942 R948K940-Q944 VanDerWaalsContact O-CB 3.31Å; K940-Q944 WeakPolarHBondContact O-CB 3.24Å; K940-Q944 PolarHBondContact O-N 3.46Å; F941-Q944 PolarHBondContact O-N 3.05Å; V942-Q944 VanDerWaalsContact C-N 3.34Å; V942-Q944 PolarHBondContact O-N 3.23Å; Q944-R948 WeakPolarHBondContact O-CG 3.43Å; Q944-R948 PolarHBondContact O-N 2.66Å
945L76.9Confident77.1Confident43 Ų4395.1 Ų95.123%0.22551%0.509CS..Hα-helixtrans-80.4-37.6173.4-171.765.6000111.6L915 V919 F941 V942 C943 A947 R948 F949L915-L945 HydrophobicContact CD1-CD1 4.42Å; L915-L945 HydrophobicContact CD1-CD2 3.95Å; L915-L945 HydrophobicContact CD1-CG 4.36Å; L915-L945 HydrophobicContact CD2-CD2 4.03Å; L915-L945 HydrophobicContact CD2-CG 4.11Å; L915-L945 HydrophobicContact CG-CD2 3.93Å; L915-L945 HydrophobicContact CG-CG 4.47Å; V919-L945 HydrophobicContact CG2-CD2 4.36Å; F941-L945 WeakPolarHBondContact O-CB 3.35Å; F941-L945 PolarHBondContact O-N 3.25Å; V942-L945 PolarHBondContact O-N 2.81Å; C943-L945 VanDerWaalsContact C-N 3.32Å; C943-L945 PolarHBondContact O-N 3.17Å; L945-A947 VanDerWaalsContact C-N 3.32Å; L945-R948 PolarHBondContact O-N 3.47Å; L945-F949 PolarHBondContact O-N 2.99Å
946V78.2Confident77.4Confident91 Ų9198.1 Ų98.155%0.55253%0.525SS*.Hα-helixtrans-74-21.3173.8170.70000112.3V942 C943 R948V942-V946 HydrophobicContact CG1-CG2 4.23Å; V942-V946 VanDerWaalsContact O-CB 3.31Å; V942-V946 WeakPolarHBondContact O-CB 3.26Å; V942-V946 VanDerWaalsContact O-CG2 3.25Å; V942-V946 WeakPolarHBondContact O-CG2 3.41Å; V942-V946 PolarHBondContact O-N 3.15Å; C943-V946 PolarHBondContact O-N 2.77Å; V946-R948 VanDerWaalsContact C-N 3.35Å
947A77.7Confident77.5Confident82 Ų8299.9 Ų99.968%0.67852%0.518SS*.THydrogen-bonded Turntrans-92.48.3169.800000113.5C943 L945C943-A947 VanDerWaalsContact O-CB 3.24Å; C943-A947 WeakPolarHBondContact O-CB 3.28Å; C943-A947 PolarHBondContact O-N 3.15Å; L945-A947 VanDerWaalsContact C-N 3.32Å
948R76.7Confident77.3Confident205 Ų205101.3 Ų101.377%0.77452%0.519SS*.  trans-116.4-0.5169.4-81.4-178.9169.1-160.1-2.5112.5Q944 L945 V946Q944-R948 WeakPolarHBondContact O-CG 3.43Å; Q944-R948 PolarHBondContact O-N 2.66Å; L945-R948 PolarHBondContact O-N 3.47Å; V946-R948 VanDerWaalsContact C-N 3.35Å
949F70.6Confident77.3Confident155 Ų155108.5 Ų108.568%0.6855%0.554SS**  trans-110.20169.5-99.5-84.7000108.8I911 L915 L945I911-F949 HydrophobicContact CG2-CE1 3.78Å; I911-F949 HydrophobicContact CG2-CZ 3.58Å; L915-F949 HydrophobicContact CD1-CE2 3.83Å; L915-F949 HydrophobicContact CD1-CZ 4.38Å; L915-F949 HydrophobicContact CD2-CD2 3.72Å; L915-F949 HydrophobicContact CD2-CE2 3.55Å; L915-F949 HydrophobicContact CD2-CG 4.5Å; L915-F949 HydrophobicContact CD2-CZ 4.22Å; L915-F949 HydrophobicContact CG-CE2 4.32Å; L945-F949 PolarHBondContact O-N 2.99Å

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