ERG_HUMAN Loading...

Transcriptional regulator ERG

Transcriptional regulator. May participate in transcriptional regulation through the recruitment of SETDB1 histone methyltransferase and subsequent modification of local chromatin structure.

AlphaFold DB , UniProt , Accession P11308, Species HUMAN (Homo sapiens, Human), Gene ERG, Length 479 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
1M40.9Very low40.1Very low253 Ų253154.9 Ų154.9100%1.24688%0.884SS**  0145.20-65168.1-176.900107.4
2A35.9Very low39.8Very low94 Ų94154.8 Ų154.878%0.77789%0.887SS**  trans-143172.2-175.700000110.3
3S43Very low40Very low117 Ų117149.9 Ų149.982%0.81887%0.869SS**  trans75.483.8175.9-53.40000116.7
4T47.5Very low40Very low144 Ų144152 Ų15288%0.88387%0.866SS**  trans-148.434.9155.1-33.20000111.9
5I46.5Very low40.2Very low165 Ų165152.3 Ų152.385%0.84686%0.864SS**  trans-138.275.3173.4-50.6178.7000108.5
6K44.7Very low40Very low214 Ų214153.4 Ų153.493%0.9386%0.86SS**  trans-167.153167.7-120.9176.8-174.3-176.10113.4
7E41.2Very low39.8Very low200 Ų200150.8 Ų150.894%0.93585%0.854SS**  trans-13178.5168-161163.7-175.600109.7
8A33.2Very low39.9Very low90 Ų90150.6 Ų150.674%0.74485%0.849SS**  trans-140.1150.8169.700000107.1
9L34.1Very low39.8Very low179 Ų179153.3 Ų153.394%0.93785%0.851SS**SBendtrans71.673-175-48.4177.7000115.6
10S35.1Very low39.7Very low110 Ų110154.6 Ų154.677%0.76985%0.851SS**  trans169.1108.3138.6-178.40000110.7
11V39.6Very low39.5Very low138 Ų138152.2 Ų152.284%0.83684%0.844SS**  trans149.470.9152.2-76.50000113
12V35.9Very low39.3Very low153 Ų153144.7 Ų144.793%0.92782%0.822SS**  trans-138.294.3146.1-178.20000106.1
13S42.5Very low39.5Very low92 Ų92150.5 Ų150.564%0.64383%0.825SS**  trans-86.8140.7179.4-990000111.3
14E39.5Very low39.2Very low179 Ų179148.7 Ų148.784%0.83683%0.825SS**  trans47.595.5135.8-60.4159.6108.900117.4
15D43.4Very low38.6Very low156 Ų156148.3 Ų148.383%0.83482%0.823SS**  trans-124.5161.5150.4-142.7-30.2000110.2
16Q37.4Very low38.5Very low171 Ų171145.8 Ų145.880%0.79982%0.817SS**  trans-82.7149.7-138.6-64.617715.400117.2L18Q16-L18 PolarHBondContact O-N 3.34Å
17S36.8Very low38.2Very low109 Ų109144.1 Ų144.176%0.76281%0.812SS**  trans-69.2120.6168.3-177.90000111.6
18L41.5Very low38.1Very low146 Ų146141.7 Ų141.776%0.76481%0.805SS**  trans-136.6145.9162.2-81.1168.6000108.2Q16Q16-L18 PolarHBondContact O-N 3.34Å
19F38Very low38.4Very low202 Ų202141.1 Ų141.189%0.88680%0.8SS**  trans83.756.5-172.9-53.1-67.7000117.8
20E37.8Very low38.6Very low179 Ų179142 Ų14284%0.83680%0.796SS**  trans-96.2102.9156.1-171.4168.4-144.200110.5A22E20-A22 PolarHBondContact O-N 3.43Å
21C34.5Very low39.4Very low106 Ų106142.4 Ų142.472%0.71679%0.794SS**  trans-86.780.7179.7-820000112.1Y23C21-Y23 PolarHBondContact O-N 3.44Å
22A38Very low39.3Very low94 Ų94143.9 Ų143.978%0.77779%0.792SS**  trans-73.4118.7172.400000112E20E20-A22 PolarHBondContact O-N 3.43Å
23Y38.6Very low40.4Very low217 Ų217145.1 Ų145.185%0.85179%0.79SS**  trans-124.7113.2174.2-88.3-81.2000112.7C21C21-Y23 PolarHBondContact O-N 3.44Å
24G37.1Very low40.8Very low78 Ų78146.7 Ų146.780%0.80480%0.796SS**  trans73.492137.200000120
25T34.4Very low41.3Very low137 Ų137143 Ų14384%0.8480%0.796SS**  trans-142.4172.1150.222.20000107.8
26P44.4Very low41.2Very low112 Ų112140.9 Ų140.973%0.72779%0.793SS**  cis-134.1166.1-18.635.4-18.5000114.5
27H39.2Very low41.4Very low179 Ų179137.8 Ų137.883%0.82979%0.791SS**  trans-165.1158141.8-122.8-121.5000106.7
28L39.4Very low41.6Very low148 Ų148137.6 Ų137.678%0.77579%0.789SS**  cis-151.3165.732.1-171.6128.8000110.1
29A39Very low41.8Very low78 Ų78135.9 Ų135.965%0.64579%0.79SS**  trans-142.3167.1-178.500000113.2
30K38.5Very low41.9Very low197 Ų197132.9 Ų132.986%0.85778%0.783SS**  trans76153.2-175.3-46.3171.5-177176.80112.3
31T51.2Low42Very low119 Ų119135.2 Ų135.273%0.7379%0.785SS**  cis-142.2152.720-57.10000111.8
32E38.9Very low42.4Very low170 Ų170133.6 Ų133.679%0.79479%0.787SS**  trans-88.6139.7173.8-178.2-175.2161.400111.6
33M57.7Low42.6Very low179 Ų179138 Ų13888%0.88279%0.791SS**  trans-144.1135.2170.2-72.1-168.9174.800111.7
34T52.1Low42.6Very low124 Ų124133.2 Ų133.276%0.76179%0.785SS**  trans-99.8137.3-175.8-39.50000111.8
35A49.9Very low42.9Very low103 Ų103134.3 Ų134.385%0.85178%0.78SS**  trans-149.8129.1161.100000110.5
36S40.5Very low43.3Very low110 Ų110136.9 Ų136.977%0.76978%0.78SS**  trans-118.8137.5176.4-53.20000109.5
37S42.1Very low43.1Very low107 Ų107140.2 Ų140.275%0.74879%0.788SS**  trans177.7128.2141.755.70000114.5
38S42.1Very low42.9Very low105 Ų105137.7 Ų137.773%0.73479%0.79SS**  trans65.3123.4133-49.80000123.2
39S44.1Very low43.1Very low110 Ų110136.1 Ų136.177%0.76979%0.789SS**  66.9155129.361.30000121.9
40D41.5Very low43Very low138 Ų138144 Ų14474%0.73880%0.802SS**  cis-171.9171.7-33.4-148.7-62.1000107.9
41Y39.9Very low43Very low228 Ų228141.3 Ų141.389%0.89480%0.802SS**  trans61.5150.5-176.4-73.1-113.4000113.4
42G43.1Very low42.4Very low73 Ų73141.5 Ų141.575%0.75381%0.805SS**  cis139.1146.122.300000105.6
43Q40.8Very low42.1Very low186 Ų186141 Ų14187%0.86980%0.803SS**  cis-162.4143.423.8168.8176.372.700111.3
44T39.4Very low41.1Very low117 Ų117141.2 Ų141.272%0.71880%0.802SS**  trans-9.1141.9165.861.50000122.2
45S42.3Very low40.2Very low100 Ų100140.4 Ų140.470%0.69979%0.792SS**  162.4145.8108.4-80.70000116.7
46K42.8Very low39.5Very low191 Ų191147.7 Ų147.783%0.8380%0.798SS**  trans51.3107.2152.8-63.6174.9-176.7176.80117.3
47M41.7Very low39.5Very low183 Ų183149.7 Ų149.790%0.90180%0.799SS**  cis62.9128.240.972.8159.865.900118.2
48S35Very low39.2Very low125 Ų125149.9 Ų149.987%0.87480%0.801SS**  trans89.1141.7174.9-132.90000118.9
49P42.3Very low39Very low116 Ų116153.5 Ų153.575%0.75381%0.806SS**  trans-118.5157.7-155.841.5-30.6000117.1
50R38Very low38.8Very low244 Ų244153.5 Ų153.592%0.92180%0.803SS**  trans-149.4147.3156.3-74-166173.6165.9-1.5111.6
51V38Very low39Very low140 Ų140152.6 Ų152.685%0.84881%0.805SS**  trans-91.6137.6168.3175.70000109.2
52P38.9Very low39.1Very low122 Ų122146.6 Ų146.679%0.79280%0.802SS**  trans-130.2151.3130.37.414.6000113.5
53Q32Very low38.8Very low161 Ų161154.6 Ų154.675%0.75281%0.81SS**  trans-82.8148.9172169.1-174.7-4.800110.8D55Q53-D55 WeakPolarHBondContact CG-OD2 3.47Å; Q53-D55 PolarHBondContact NE2-OD2 3.29Å
54Q35.9Very low38.7Very low183 Ų183152.2 Ų152.286%0.85581%0.808SS**  trans-147.3108.8163.4-168.9167.30.800112
55D34.9Very low38.4Very low106 Ų106152.8 Ų152.857%0.56781%0.811SS**  trans-81.2157.8173.1-72.8-101.5000112.6Q53 L57Q53-D55 WeakPolarHBondContact CG-OD2 3.47Å; Q53-D55 PolarHBondContact NE2-OD2 3.29Å; D55-L57 HydrophobicContact CB-CD1 4.34Å
56W34.2Very low38.4Very low257 Ų257155.5 Ų155.597%0.97382%0.816SS**  trans-97.4110.3167.3-81.596.7000111
57L39.9Very low38Very low151 Ų151153.5 Ų153.579%0.79181%0.808SS**  trans-97.1139.3179.6-112.572.6000112.3D55D55-L57 HydrophobicContact CB-CD1 4.34Å
58S37.6Very low38Very low112 Ų112153.3 Ų153.378%0.78381%0.806SS**  trans160.3141.5144.3-77.70000111
59Q37Very low37.9Very low181 Ų181154.2 Ų154.285%0.84680%0.797SS**  cis-151169.3-12.9-106.3-156.99.800110.3
60P40.3Very low37.6Very low109 Ų109154.6 Ų154.671%0.70880%0.801SS**  trans-122.6-150.9-168.238.6-19.2000112.6
61P45.7Very low37.6Very low120 Ų120150.3 Ų150.378%0.77980%0.796SS**  -126.3174.8-60.531.5-14.3000113.8
62A42.2Very low37.6Very low101 Ų101148.8 Ų148.884%0.83579%0.789SS**  trans-136149.1156.400000111.5
63R36.7Very low37.5Very low242 Ų242148.2 Ų148.291%0.91379%0.788SS**  trans-93.6154.6-177.4-64.4172.1169167.3-5.5111.5
64V37.2Very low37.9Very low135 Ų135148.3 Ų148.382%0.81879%0.789SS**  -160.9141.3101.8163.90000108.4
65T33.7Very low38.1Very low129 Ų129145.3 Ų145.379%0.79178%0.783SS**  trans-120.9128.1173.3-56.80000109.5
66I41.9Very low38.1Very low157 Ų157147.8 Ų147.881%0.80580%0.796SS**  trans-134.6127.1149-62-174.7000108.1
67K35.8Very low38.3Very low150 Ų150139 Ų13965%0.65278%0.784SS**  trans-106.9136.5169.4173.7-166.7173.8-166.80107E69K67-E69 WeakPolarHBondContact CE-OE2 3.36Å; K67-E69 IonicContact NZ-OE2 2.61Å; K67-E69 PolarHBondContact NZ-OE2 3.29Å
68M39.9Very low38.3Very low178 Ų178136.5 Ų136.588%0.87778%0.78SS**  trans-142.2115.8164.4-153.967.6-177.400110.8
69E33.5Very low38.5Very low145 Ų145141.5 Ų141.568%0.67878%0.782SS**  trans-86.2149161.5-69.7168.278.700108.2K67K67-E69 WeakPolarHBondContact CE-OE2 3.36Å; K67-E69 IonicContact NZ-OE2 2.61Å; K67-E69 PolarHBondContact NZ-OE2 3.29Å
70C36Very low38.6Very low124 Ų124140.2 Ų140.284%0.83878%0.781SS**  trans-139.3125.2170.9-165.30000110.5
71N38Very low38.6Very low154 Ų154139.7 Ų139.782%0.82478%0.779SS**  trans-105125.3179-173.517.2000107.9
72P37.6Very low38.9Very low108 Ų108139.9 Ų139.970%0.70178%0.781SS**  trans-79.1128.9-167.129.6-35.6000113.4
73S37.2Very low38.9Very low110 Ų110141.9 Ų141.977%0.76978%0.777SS**  trans-171.1146.1165.6-98.80000115
74Q40.4Very low39Very low163 Ų163138.7 Ų138.776%0.76277%0.773SS**  trans7994.8155.7-60.8-70.5-21.800120.9
75V41Very low39.1Very low120 Ų120137.2 Ų137.273%0.72777%0.767SS**  trans67.4115132.4-56.30000124.8
76N35.2Very low39.3Very low158 Ų158135.9 Ų135.985%0.84576%0.763SS**  62.9124.7122.5-161.922.8000121.2
77G38.3Very low39.3Very low71 Ų71134.8 Ų134.873%0.73276%0.764SS**  trans-170.93.2-179.100000122.4
78S40Very low39.5Very low99 Ų99131.8 Ų131.869%0.69277%0.766SS**  trans39.1125161.6-81.60000123.7
79R40Very low39.7Very low218 Ų218133.6 Ų133.682%0.82377%0.769SS**  trans95.3111.9133.2-71.2174.6177.5-169.7-2.4123.5
80N40.2Very low40Very low154 Ų154130.5 Ų130.582%0.82478%0.777SS**  95.5140.5125.5-63.711.3000122
81S41.1Very low40.5Very low97 Ų97128.9 Ų128.968%0.67878%0.781SS**  trans-103168.9174-165.50000110.8
82P50.9Low40.7Very low125 Ų125130.9 Ų130.981%0.81278%0.782SS**  -150.6172.196.840.3-23.1000116.9
83D41.5Very low41.1Very low143 Ų143133 Ų13377%0.76579%0.785SS**  trans-89.2162.4173.4-58.1-97.1000114.2
84E40.6Very low41.4Very low174 Ų174134.7 Ų134.781%0.81379%0.79SS**  163.2150.1122-93.9-160.953.100117.2
85C38.9Very low41.5Very low104 Ų104130 Ų13070%0.70379%0.786SS**  trans63.3162.9151.1-80.20000122.6
86S37.8Very low41.6Very low101 Ų101130.4 Ų130.471%0.70679%0.794SS**  cis-178.4173.4-38.1-96.70000112.4
87V41.9Very low42.3Very low135 Ų135127.7 Ų127.782%0.81879%0.785SS**  trans9089.4156.3-160.90000122.9
88A40.5Very low42.4Very low86 Ų86131.2 Ų131.271%0.71179%0.787SS**  40.7151.7116.400000128
89K43.5Very low42.6Very low216 Ų216133.6 Ų133.694%0.93980%0.797SS**  trans76.3146.9161.7-65.6175.7177173.70118.6
90G39.3Very low42.7Very low81 Ų81129.4 Ų129.484%0.83580%0.796SS**  cis160.4145.8-10.100000113.8
91G47Very low43Very low89 Ų89125.4 Ų125.492%0.91879%0.791SS**  trans-169.8157.7-178.300000116.7
92K42.8Very low43.3Very low196 Ų196129.3 Ų129.385%0.85280%0.801SS**  trans-142.3160.4-161.3-143.7-173.8170.6-174.30109
93M45.2Very low42.9Very low154 Ų154130.8 Ų130.876%0.75980%0.802SS**  cis-168.4164.847.8-69.7-168-70.400113.9
94V43.1Very low42.6Very low144 Ų144135.3 Ų135.387%0.87381%0.81SS**  trans36.1137.6139.2-1790000120.7
95G43.8Very low42.9Very low66 Ų66130.3 Ų130.368%0.6881%0.805SS**  cis155.7175.1-4.600000114.8
96S41.3Very low43Very low127 Ų127129.6 Ų129.689%0.88880%0.802SS**  trans77157.9171.4-88.80000119.5
97P51.1Low43.1Very low101 Ų101136 Ų13666%0.65681%0.812SS**  -134.1-168.7-125.446-31000117.9
98D39.7Very low43.8Very low146 Ų146136.1 Ų136.178%0.78181%0.805SS**  trans69.297.2158.3-58.5-29.7000120.4
99T43.9Very low43.8Very low149 Ų149139 Ų13991%0.91480%0.804SS**  trans-150.5138.4143.7-46.10000110.4
100V43.8Very low43.5Very low129 Ų129136.8 Ų136.878%0.78280%0.797SS**  trans-80.2128.4-178.3177.60000111.1M102V100-M102 HydrophobicContact CG1-CE 4.23Å
101G45.5Very low43.7Very low71 Ų71141 Ų14173%0.73279%0.792SS**  trans-141.8110.8172.700000111.5
102M47.5Very low43.5Very low178 Ų178145.1 Ų145.188%0.87779%0.787SS**  trans-78.3124.9176-69.9-69.1150.500110.1V100V100-M102 HydrophobicContact CG1-CE 4.23Å
103N43.3Very low43.6Very low156 Ų156144.1 Ų144.183%0.83479%0.788SS**  trans-127.4127.7172-168.322.7000110.8
104Y35.3Very low43.6Very low238 Ų238141.6 Ų141.693%0.93378%0.783SS**  trans-76.4127.3177-110.1-114.8000109.6
105G46.8Very low43.6Very low70 Ų70140 Ų14072%0.72278%0.775SS**  trans-147.8105.7-174.500000114.5
106S40.5Very low43.5Very low89 Ų89142.5 Ų142.562%0.62278%0.78SS**  trans50.794161.4-161.10000117.6M108S106-M108 PolarHBondContact O-N 3.42Å; S106-M108 WeakPolarHBondContact OG-CE 3.27Å; S106-M108 PolarHBondContact OG-SD 2.98Å
107Y39.9Very low43.2Very low234 Ų234142.9 Ų142.992%0.91877%0.772SS**  trans-66.2113.8163.7-148.3-89.3000109.3
108M55.3Low42.3Very low138 Ų138146.6 Ų146.668%0.6878%0.783SS**  trans-83.6132.4173.8-48.2-56.5176.400108.6S106 E110S106-M108 PolarHBondContact O-N 3.42Å; S106-M108 WeakPolarHBondContact OG-CE 3.27Å; S106-M108 PolarHBondContact OG-SD 2.98Å; M108-E110 PolarHBondContact O-N 3.5Å
109E40.7Very low42.3Very low146 Ų146144 Ų14468%0.68277%0.772SS**  trans-78.291.8-177.2-165.3-177.9107.300111.1K111E109-K111 VanDerWaalsContact C-N 3.28Å; E109-K111 PolarHBondContact O-N 3.48Å; E109-K111 WeakPolarHBondContact OE1-CD 3.39Å; E109-K111 WeakPolarHBondContact OE1-CE 3.47Å; E109-K111 IonicContact OE1-NZ 2.72Å; E109-K111 PolarHBondContact OE1-NZ 3.16Å
110E37.8Very low42.1Very low171 Ų171143.7 Ų143.780%0.79977%0.77SS**  trans-74.376.1-176.2-160.3177150.200112.7M108 H112M108-E110 PolarHBondContact O-N 3.5Å; E110-H112 PolarHBondContact O-N 3.43Å; E110-H112 PolarHBondContact O-ND1 2.87Å
111K43.7Very low41.7Very low169 Ų169143.7 Ų143.774%0.73577%0.766SS**  trans-7173.8169.8-86.4176166137.70111.6E109 M113E109-K111 VanDerWaalsContact C-N 3.28Å; E109-K111 PolarHBondContact O-N 3.48Å; E109-K111 WeakPolarHBondContact OE1-CD 3.39Å; E109-K111 WeakPolarHBondContact OE1-CE 3.47Å; E109-K111 IonicContact OE1-NZ 2.72Å; E109-K111 PolarHBondContact OE1-NZ 3.16Å; K111-M113 PolarHBondContact O-N 2.93Å; K111-M113 VanDerWaalsContact O-N 3.1Å
112H42.1Very low41.1Very low175 Ų175148.9 Ų148.981%0.8177%0.771SS**  trans16.982.3151.1-72.258.5000114.9E110E110-H112 PolarHBondContact O-N 3.43Å; E110-H112 PolarHBondContact O-ND1 2.87Å
113M45.9Very low40.6Very low175 Ų175148.8 Ų148.886%0.86276%0.761SS**PPolyproline II helixtrans-70.7126.8168-169.888.175.300108.5K111K111-M113 PolarHBondContact O-N 2.93Å; K111-M113 VanDerWaalsContact O-N 3.1Å
114P44.6Very low40.6Very low101 Ų101149.5 Ų149.566%0.65675%0.752SS**PPolyproline II helixtrans-64.3147.517028.3-33.9000109.9
115P42.5Very low40.9Very low110 Ų110140 Ų14071%0.71472%0.719SS**PPolyproline II helixtrans-62.8146.4-178.526.6-34.8000111.2N117P115-N117 PolarHBondContact O-N 3.45Å
116P43.4Very low41.3Very low120 Ų120144 Ų14478%0.77972%0.722SS**  trans-63.2108.8174.427.1-33.5000108.9M118P116-M118 PolarHBondContact O-N 3.13Å
117N34.6Very low42.3Very low135 Ų135141.8 Ų141.872%0.72270%0.704SS**  trans-76.390-170.3-1639.7000110.5P115 T119P115-N117 PolarHBondContact O-N 3.45Å; N117-T119 PolarHBondContact O-N 3.46Å
118M32.5Very low43.7Very low179 Ų179132.5 Ų132.588%0.88267%0.673SS**  trans-6767.6175.9-75.5176.853.800111.6P116P116-M118 PolarHBondContact O-N 3.13Å
119T38Very low44.3Very low91 Ų91129 Ų12956%0.55867%0.666SS**  trans-87.4127.6170.455.60000109.5N117 N121N117-T119 PolarHBondContact O-N 3.46Å; T119-N121 VanDerWaalsContact C-N 3.32Å; T119-N121 PolarHBondContact O-N 3.15Å
120T40.1Very low46.1Very low142 Ų142125.2 Ų125.287%0.87165%0.65SS**  trans-74.778-169.151.90000112.2E122T120-E122 VanDerWaalsContact C-N 3.34Å
121N34.8Very low48.4Very low129 Ų129117.2 Ų117.269%0.6961%0.613SS**  trans-90.66.7176.5-120.4-52.8000113.7T119 R123T119-N121 VanDerWaalsContact C-N 3.32Å; T119-N121 PolarHBondContact O-N 3.15Å; N121-R123 PolarHBondContact O-N 2.95Å
122E34.4Very low50.4Low180 Ų180111.6 Ų111.684%0.84159%0.593SS**THydrogen-bonded Turntrans-67.9121.9173.2-63.5-167.814900110.4T120T120-E122 VanDerWaalsContact C-N 3.34Å
123R36.9Very low52.5Low177 Ų177107.2 Ų107.267%0.66858%0.575SS**THydrogen-bonded Turntrans76.740.7156.9-145.3174.2-134.8-87.85.3116.8N121 V125 E144N121-R123 PolarHBondContact O-N 2.95Å; R123-V125 PolarHBondContact O-N 3.04Å; R123-E144 IonicContact CZ-OE2 3.93Å; R123-E144 IonicContact NH1-OE2 3.38Å; R123-E144 PolarHBondContact NH1-OE2 2.83Å; R123-E144 IonicContact NH2-OE2 2.64Å
124R43.8Very low54.6Low170 Ų17099.3 Ų99.364%0.64254%0.536SS*.  trans-73.8105.7155.5-77.5-169.3174.6-162.8-4.1109.8
125V39.8Very low56.7Low39 Ų3996.8 Ų96.824%0.23652%0.52CS..  trans-72136.2176.5171.80000110R123 V127 Q141R123-V125 PolarHBondContact O-N 3.04Å; V125-V127 HydrophobicContact CG1-CG2 3.67Å; V125-Q141 HydrophobicContact CB-CB 4.31Å; V125-Q141 HydrophobicContact CG1-CB 3.45Å; V125-Q141 VanDerWaalsContact CG1-CB 3.45Å; V125-Q141 HydrophobicContact CG1-CG 4.29Å; V125-Q141 HydrophobicContact CG2-CB 3.86Å; V125-Q141 HydrophobicContact CG2-CG 4.37Å
126I56.7Low59.1Low153 Ų15394.4 Ų94.479%0.78550%0.504SS*.  trans-102.692.2167.8-54.4178000108.4
127V60.7Low61.2Low43 Ų4391.9 Ų91.926%0.26148%0.484SS..  trans-82.6141.4168.5-135.50000108.6V125 W134 H138 W142V125-V127 HydrophobicContact CG1-CG2 3.67Å; V127-W134 HydrophobicContact CB-CZ2 4.31Å; V127-W134 HydrophobicContact CG1-CD2 3.64Å; V127-W134 HydrophobicContact CG1-CE3 4.3Å; V127-W134 HydrophobicContact CG1-CG 3.95Å; V127-W134 HydrophobicContact CG1-CH2 4.48Å; V127-W134 HydrophobicContact CG1-CZ2 3.82Å; V127-H138 HydrophobicContact CG1-CB 3.74Å; V127-W142 HydrophobicContact CG1-CB 4.33Å; V127-W142 HydrophobicContact CG2-CB 4.42Å
128P70.3Confident63.8Low39 Ų3988 Ų8825%0.25346%0.461SS..  trans-56.3147.1171.8-26.334000112.3D130 L133 W134 H138P128-D130 VanDerWaalsContact C-N 3.26Å; P128-D130 PolarHBondContact O-N 2.86Å; P128-L133 HydrophobicContact CB-CB 4.29Å; P128-W134 PolarHBondContact O-NE1 3Å; P128-H138 VanDerWaalsContact CD-ND1 3.27Å; P128-H138 WeakPolarHBondContact CD-ND1 3.31Å; P128-H138 WeakPolarHBondContact CG-ND1 3.48Å
129A67.3Low66.6Low65 Ų6579.4 Ų79.454%0.53742%0.419SS..SBendtrans-64.9-27.6-176.100000113.9
130D78.1Confident69.1Low67 Ų6778.6 Ų78.636%0.35841%0.406SS..SBendtrans-97.2117175.1177.1-11.3000110P128 T132 L133 W134P128-D130 VanDerWaalsContact C-N 3.26Å; P128-D130 PolarHBondContact O-N 2.86Å; D130-T132 PolarHBondContact O-N 3.46Å; D130-T132 WeakPolarHBondContact OD1-CB 3.49Å; D130-T132 WeakPolarHBondContact OD1-CG2 3.37Å; D130-T132 PolarHBondContact OD1-N 3.24Å; D130-T132 PolarHBondContact OD1-OG1 3.22Å; D130-T132 PolarHBondContact OD2-OG1 3.4Å; D130-T132 VanDerWaalsContact OD2-OG1 3.08Å; D130-L133 HydrophobicContact CB-CD1 4Å; D130-L133 HydrophobicContact CB-CG 3.99Å; D130-L133 PolarHBondContact O-N 3.11Å; D130-W134 PolarHBondContact O-NE1 2.88Å
131P85.4Confident71.3Confident2 Ų273.9 Ų73.91%0.01337%0.374CS..G310 helixtrans-58.2-25.3177.3-27.136.9000115.4L133 W134 G165 L192 L195 R196P131-L133 PolarHBondContact O-N 2.72Å; P131-W134 HydrophobicContact CB-CD2 4.28Å; P131-W134 HydrophobicContact CB-CH2 4.25Å; P131-W134 HydrophobicContact CB-CZ2 4.05Å; P131-W134 HydrophobicContact CB-CZ3 4.48Å; P131-W134 HydrophobicContact CG-CH2 4.29Å; P131-W134 HydrophobicContact CG-CZ2 3.92Å; P131-W134 WeakPolarHBondContact O-CB 3.26Å; P131-W134 PolarHBondContact O-N 2.8Å; P131-G165 CarbonylContact O-C 3.6Å; P131-G165 WeakPolarHBondContact O-CA 3.25Å; P131-L192 HydrophobicContact CB-CD1 3.62Å; P131-L192 HydrophobicContact CG-CD1 4.05Å; P131-L195 HydrophobicContact CG-CB 3.66Å; P131-L195 HydrophobicContact CG-CD1 4.26Å; P131-R196 HydrophobicContact CG-CG 4.38Å
132T87.1Confident73.9Confident51 Ų5167.9 Ų67.931%0.31334%0.342SS..G310 helixtrans-71.9-12.7176.874.40000113.4D130 K166 C169D130-T132 PolarHBondContact O-N 3.46Å; D130-T132 WeakPolarHBondContact OD1-CB 3.49Å; D130-T132 WeakPolarHBondContact OD1-CG2 3.37Å; D130-T132 PolarHBondContact OD1-N 3.24Å; D130-T132 PolarHBondContact OD1-OG1 3.22Å; D130-T132 PolarHBondContact OD2-OG1 3.4Å; D130-T132 VanDerWaalsContact OD2-OG1 3.08Å; T132-K166 WeakPolarHBondContact O-CG 3.44Å; T132-C169 HydrophobicContact CG2-CB 4.16Å
133L85.4Confident76.6Confident84 Ų8459.3 Ų59.344%0.4430%0.302SS..G310 helixtrans-97.75176.8-56.9-176.9000113.3P128 D130 P131P128-L133 HydrophobicContact CB-CB 4.29Å; D130-L133 HydrophobicContact CB-CD1 4Å; D130-L133 HydrophobicContact CB-CG 3.99Å; D130-L133 PolarHBondContact O-N 3.11Å; P131-L133 PolarHBondContact O-N 2.72Å
134W90Very high79Confident9 Ų953.2 Ų53.23%0.03428%0.281CS..  trans-73.6137.2179.4-65.23.5000111.9V127 P128 D130 P131 H138 V139 W142 G165 L168 L192 L195V127-W134 HydrophobicContact CB-CZ2 4.31Å; V127-W134 HydrophobicContact CG1-CD2 3.64Å; V127-W134 HydrophobicContact CG1-CE3 4.3Å; V127-W134 HydrophobicContact CG1-CG 3.95Å; V127-W134 HydrophobicContact CG1-CH2 4.48Å; V127-W134 HydrophobicContact CG1-CZ2 3.82Å; P128-W134 PolarHBondContact O-NE1 3Å; D130-W134 PolarHBondContact O-NE1 2.88Å; P131-W134 HydrophobicContact CB-CD2 4.28Å; P131-W134 HydrophobicContact CB-CH2 4.25Å; P131-W134 HydrophobicContact CB-CZ2 4.05Å; P131-W134 HydrophobicContact CB-CZ3 4.48Å; P131-W134 HydrophobicContact CG-CH2 4.29Å; P131-W134 HydrophobicContact CG-CZ2 3.92Å; P131-W134 WeakPolarHBondContact O-CB 3.26Å; P131-W134 PolarHBondContact O-N 2.8Å; W134-H138 HydrophobicContact CB-CB 3.68Å; W134-H138 HydrophobicContact CG-CB 3.94Å; W134-V139 HydrophobicContact CB-CG2 4.04Å; W134-V139 HydrophobicContact CE3-CG2 4.08Å; W134-W142 HydrophobicContact CE3-CB 4.31Å; W134-W142 HydrophobicContact CE3-CG 4.37Å; W134-W142 HydrophobicContact CH2-CB 4.05Å; W134-W142 AromaticContact CH2-CD1 3.3Å; W134-W142 AromaticContact CH2-CD2 3.85Å; W134-W142 HydrophobicContact CH2-CD2 3.85Å; W134-W142 AromaticContact CH2-CE2 3.85Å; W134-W142 AromaticContact CH2-CG 3.49Å; W134-W142 HydrophobicContact CH2-CG 3.49Å; W134-W142 VanDerWaalsContact CH2-CG 3.49Å; W134-W142 AromaticContact CH2-NE1 3.5Å; W134-W142 HydrophobicContact CZ3-CB 3.77Å; W134-W142 AromaticContact CZ3-CD1 3.73Å; W134-W142 AromaticContact CZ3-CD2 3.48Å; W134-W142 HydrophobicContact CZ3-CD2 3.48Å; W134-W142 VanDerWaalsContact CZ3-CD2 3.48Å; W134-W142 AromaticContact CZ3-CE2 3.84Å; W134-W142 AromaticContact CZ3-CE3 3.97Å; W134-W142 HydrophobicContact CZ3-CE3 3.97Å; W134-W142 AromaticContact CZ3-CG 3.4Å; W134-W142 HydrophobicContact CZ3-CG 3.4Å; W134-W142 AromaticContact CZ3-NE1 3.95Å; W134-G165 WeakPolarHBondContact O-CA 3.49Å; W134-G165 PolarHBondContact O-N 3.07Å; W134-L168 HydrophobicContact CE3-CD2 3.92Å; W134-L168 HydrophobicContact CZ3-CD2 3.81Å; W134-L192 HydrophobicContact CZ3-CD1 4.43Å; W134-L195 HydrophobicContact CH2-CD1 3.78Å; W134-L195 HydrophobicContact CZ2-CD1 3.94Å
135S89.5Confident81Confident47 Ų4748.7 Ų48.733%0.32926%0.263SS..  trans-78.1168.7163.262.30000109.9D137 H138 V139S135-D137 PolarHBondContact O-N 2.87Å; S135-D137 PolarHBondContact OG-N 2.9Å; S135-H138 PolarHBondContact N-ND1 3.11Å; S135-H138 WeakPolarHBondContact O-CB 3.19Å; S135-H138 PolarHBondContact O-N 3.37Å; S135-H138 VanDerWaalsContact O-N 3.08Å; S135-H138 VanDerWaalsContact OG-CG 3.25Å; S135-H138 PolarHBondContact OG-N 3.27Å; S135-H138 PolarHBondContact OG-ND1 3.21Å; S135-V139 WeakPolarHBondContact O-CG2 3.35Å; S135-V139 PolarHBondContact O-N 2.77Å
136T91.7Very high83.3Confident60 Ų6046.8 Ų46.837%0.36825%0.252SS..Hα-helixtrans-53.3-34.1168.249.50000112.2V139 R140 I163 D164T136-V139 PolarHBondContact O-N 3.01Å; T136-R140 WeakPolarHBondContact O-CB 3.43Å; T136-R140 PolarHBondContact O-N 3.49Å; T136-I163 WeakPolarHBondContact CA-O 3.44Å; T136-D164 HydrophobicContact CG2-CB 4.39Å
137D88.3Confident84.8Confident68 Ų6841.3 Ų41.336%0.36423%0.226SC..Hα-helixtrans-71.1-40.4176.6-159.7-94.7000112.7S135 R140 Q141S135-D137 PolarHBondContact O-N 2.87Å; S135-D137 PolarHBondContact OG-N 2.9Å; D137-R140 PolarHBondContact O-N 3.05Å; D137-R140 IonicContact OD1-NH2 2.99Å; D137-R140 PolarHBondContact OD1-NH2 3.04Å; D137-R140 IonicContact OD2-CZ 2.62Å; D137-R140 IonicContact OD2-NE 3.68Å; D137-R140 PolarHBondContact OD2-NE 3.17Å; D137-R140 VanDerWaalsContact OD2-NE 3.1Å; D137-R140 IonicContact OD2-NH2 3.73Å; D137-R140 PolarHBondContact OD2-NH2 3.27Å; D137-Q141 WeakPolarHBondContact O-CB 3.43Å; D137-Q141 VanDerWaalsContact O-CG 3.3Å; D137-Q141 WeakPolarHBondContact O-CG 3.06Å; D137-Q141 PolarHBondContact O-N 3.03Å; D137-Q141 PolarHBondContact OD1-NE2 2.77Å
138H89.7Confident86Confident52 Ų5247.4 Ų47.424%0.24125%0.249CC..Hα-helixtrans-63.3-41.2172.1-66.2157000111.8V127 P128 W134 S135 Q141 W142V127-H138 HydrophobicContact CG1-CB 3.74Å; P128-H138 VanDerWaalsContact CD-ND1 3.27Å; P128-H138 WeakPolarHBondContact CD-ND1 3.31Å; P128-H138 WeakPolarHBondContact CG-ND1 3.48Å; W134-H138 HydrophobicContact CB-CB 3.68Å; W134-H138 HydrophobicContact CG-CB 3.94Å; S135-H138 PolarHBondContact N-ND1 3.11Å; S135-H138 WeakPolarHBondContact O-CB 3.19Å; S135-H138 PolarHBondContact O-N 3.37Å; S135-H138 VanDerWaalsContact O-N 3.08Å; S135-H138 VanDerWaalsContact OG-CG 3.25Å; S135-H138 PolarHBondContact OG-N 3.27Å; S135-H138 PolarHBondContact OG-ND1 3.21Å; H138-Q141 PolarHBondContact O-N 3.44Å; H138-W142 WeakPolarHBondContact O-CB 3.47Å; H138-W142 PolarHBondContact O-N 2.9Å
139V91.4Very high86.7Confident0 Ų050.8 Ų50.80%026%0.261CS..Hα-helixtrans-60.9-47.41741730000110.9W134 S135 T136 Q141 W142 L143 I163 L168W134-V139 HydrophobicContact CB-CG2 4.04Å; W134-V139 HydrophobicContact CE3-CG2 4.08Å; S135-V139 WeakPolarHBondContact O-CG2 3.35Å; S135-V139 PolarHBondContact O-N 2.77Å; T136-V139 PolarHBondContact O-N 3.01Å; V139-Q141 PolarHBondContact O-N 2.85Å; V139-W142 PolarHBondContact O-N 2.77Å; V139-L143 WeakPolarHBondContact O-CB 3.19Å; V139-L143 PolarHBondContact O-N 2.98Å; V139-I163 WeakPolarHBondContact CG2-O 3.34Å; V139-L168 HydrophobicContact CG1-CD1 4.39Å; V139-L168 HydrophobicContact CG1-CD2 4.22Å; V139-L168 HydrophobicContact CG2-CD2 4.11Å
140R90.1Very high87.5Confident73 Ų7350.7 Ų50.728%0.27525%0.247SC..Hα-helixtrans-56.8-49.8175178.5-169.862.168.70.6111.6T136 D137 L143 E144 I157T136-R140 WeakPolarHBondContact O-CB 3.43Å; T136-R140 PolarHBondContact O-N 3.49Å; D137-R140 PolarHBondContact O-N 3.05Å; D137-R140 IonicContact OD1-NH2 2.99Å; D137-R140 PolarHBondContact OD1-NH2 3.04Å; D137-R140 IonicContact OD2-CZ 2.62Å; D137-R140 IonicContact OD2-NE 3.68Å; D137-R140 PolarHBondContact OD2-NE 3.17Å; D137-R140 VanDerWaalsContact OD2-NE 3.1Å; D137-R140 IonicContact OD2-NH2 3.73Å; D137-R140 PolarHBondContact OD2-NH2 3.27Å; R140-L143 PolarHBondContact O-N 2.91Å; R140-E144 WeakPolarHBondContact CG-OE1 2.98Å; R140-E144 IonicContact CZ-OE1 3.75Å; R140-E144 IonicContact NH1-OE1 3.21Å; R140-E144 PolarHBondContact NH1-OE1 2.61Å; R140-E144 IonicContact NH1-OE2 2.68Å; R140-E144 PolarHBondContact NH1-OE2 3.44Å; R140-E144 WeakPolarHBondContact O-CG 3.19Å; R140-E144 PolarHBondContact O-N 3.1Å; R140-I157 HydrophobicContact CG-CG2 4.09Å
141Q85Confident87.9Confident43 Ų4350.2 Ų50.220%0.20126%0.258CS..Hα-helixtrans-68.1-36.3-178.4-69.3-175.576.900113V125 D137 H138 V139 W145V125-Q141 HydrophobicContact CB-CB 4.31Å; V125-Q141 HydrophobicContact CG1-CB 3.45Å; V125-Q141 VanDerWaalsContact CG1-CB 3.45Å; V125-Q141 HydrophobicContact CG1-CG 4.29Å; V125-Q141 HydrophobicContact CG2-CB 3.86Å; V125-Q141 HydrophobicContact CG2-CG 4.37Å; D137-Q141 WeakPolarHBondContact O-CB 3.43Å; D137-Q141 VanDerWaalsContact O-CG 3.3Å; D137-Q141 WeakPolarHBondContact O-CG 3.06Å; D137-Q141 PolarHBondContact O-N 3.03Å; D137-Q141 PolarHBondContact OD1-NE2 2.77Å; H138-Q141 PolarHBondContact O-N 3.44Å; V139-Q141 PolarHBondContact O-N 2.85Å; Q141-W145 PolarHBondContact O-N 3.3Å
142W89.9Confident87.9Confident4 Ų450.5 Ų50.52%0.01526%0.26CS..Hα-helixtrans-61.9-42.7170.8166.582.8000111.8V127 W134 H138 V139 W145 A146 L168 L188 H191 L192V127-W142 HydrophobicContact CG1-CB 4.33Å; V127-W142 HydrophobicContact CG2-CB 4.42Å; W134-W142 HydrophobicContact CE3-CB 4.31Å; W134-W142 HydrophobicContact CE3-CG 4.37Å; W134-W142 HydrophobicContact CH2-CB 4.05Å; W134-W142 AromaticContact CH2-CD1 3.3Å; W134-W142 AromaticContact CH2-CD2 3.85Å; W134-W142 HydrophobicContact CH2-CD2 3.85Å; W134-W142 AromaticContact CH2-CE2 3.85Å; W134-W142 AromaticContact CH2-CG 3.49Å; W134-W142 HydrophobicContact CH2-CG 3.49Å; W134-W142 VanDerWaalsContact CH2-CG 3.49Å; W134-W142 AromaticContact CH2-NE1 3.5Å; W134-W142 HydrophobicContact CZ3-CB 3.77Å; W134-W142 AromaticContact CZ3-CD1 3.73Å; W134-W142 AromaticContact CZ3-CD2 3.48Å; W134-W142 HydrophobicContact CZ3-CD2 3.48Å; W134-W142 VanDerWaalsContact CZ3-CD2 3.48Å; W134-W142 AromaticContact CZ3-CE2 3.84Å; W134-W142 AromaticContact CZ3-CE3 3.97Å; W134-W142 HydrophobicContact CZ3-CE3 3.97Å; W134-W142 AromaticContact CZ3-CG 3.4Å; W134-W142 HydrophobicContact CZ3-CG 3.4Å; W134-W142 AromaticContact CZ3-NE1 3.95Å; H138-W142 WeakPolarHBondContact O-CB 3.47Å; H138-W142 PolarHBondContact O-N 2.9Å; V139-W142 PolarHBondContact O-N 2.77Å; W142-W145 PolarHBondContact O-N 3.21Å; W142-A146 WeakPolarHBondContact O-CB 3.45Å; W142-A146 PolarHBondContact O-N 2.83Å; W142-L168 HydrophobicContact CE3-CD2 4.23Å; W142-L168 HydrophobicContact CH2-CD2 4.3Å; W142-L168 HydrophobicContact CZ3-CD1 4.38Å; W142-L168 HydrophobicContact CZ3-CD2 3.9Å; W142-L188 HydrophobicContact CH2-CB 4.05Å; W142-L188 HydrophobicContact CH2-CD2 3.88Å; W142-L188 HydrophobicContact CH2-CG 4.5Å; W142-L188 HydrophobicContact CZ2-CD2 4.25Å; W142-L188 HydrophobicContact CZ3-CD2 4.27Å; W142-H191 AromaticContact CE2-ND1 3.97Å; W142-H191 AromaticContact NE1-CE1 3.57Å; W142-H191 AromaticContact NE1-ND1 3.2Å; W142-H191 PolarHBondContact NE1-ND1 3.06Å; W142-L192 HydrophobicContact CZ2-CB 4.38Å
143L90.9Very high87.7Confident0 Ų051.6 Ų51.60%027%0.267CS..Hα-helixtrans-68.2-41.5179.2-167.863.2000111.6V139 R140 W145 A146 V147 V155 I157 F160 L188V139-L143 WeakPolarHBondContact O-CB 3.19Å; V139-L143 PolarHBondContact O-N 2.98Å; R140-L143 PolarHBondContact O-N 2.91Å; L143-W145 VanDerWaalsContact C-N 3.28Å; L143-W145 PolarHBondContact O-N 3.45Å; L143-A146 PolarHBondContact O-N 3.25Å; L143-V147 WeakPolarHBondContact O-CB 3.22Å; L143-V147 VanDerWaalsContact O-CG2 3.24Å; L143-V147 WeakPolarHBondContact O-CG2 3.38Å; L143-V147 PolarHBondContact O-N 3.29Å; L143-V155 HydrophobicContact CD1-CG1 3.88Å; L143-V155 HydrophobicContact CD2-CG1 4.09Å; L143-V155 HydrophobicContact CG-CG1 4.04Å; L143-I157 HydrophobicContact CD2-CB 4.29Å; L143-I157 HydrophobicContact CD2-CG1 4.05Å; L143-I157 HydrophobicContact CD2-CG2 4.32Å; L143-I157 HydrophobicContact CG-CG1 4.23Å; L143-F160 HydrophobicContact CD2-CB 3.87Å; L143-F160 HydrophobicContact CD2-CD1 4.27Å; L143-F160 HydrophobicContact CD2-CD2 3.38Å; L143-F160 HydrophobicContact CD2-CE2 3.93Å; L143-F160 HydrophobicContact CD2-CG 3.58Å; L143-L188 HydrophobicContact CD1-CD1 3.7Å; L143-L188 HydrophobicContact CD1-CD2 3.73Å; L143-L188 HydrophobicContact CD1-CG 4.4Å
144E87.5Confident87.5Confident49 Ų4954.3 Ų54.323%0.22928%0.283CS..Hα-helixtrans-57.1-39.3171.5-76169.1-165.300112.4R123 R140 I157R123-E144 IonicContact CZ-OE2 3.93Å; R123-E144 IonicContact NH1-OE2 3.38Å; R123-E144 PolarHBondContact NH1-OE2 2.83Å; R123-E144 IonicContact NH2-OE2 2.64Å; R140-E144 WeakPolarHBondContact CG-OE1 2.98Å; R140-E144 IonicContact CZ-OE1 3.75Å; R140-E144 IonicContact NH1-OE1 3.21Å; R140-E144 PolarHBondContact NH1-OE1 2.61Å; R140-E144 IonicContact NH1-OE2 2.68Å; R140-E144 PolarHBondContact NH1-OE2 3.44Å; R140-E144 WeakPolarHBondContact O-CG 3.19Å; R140-E144 PolarHBondContact O-N 3.1Å; E144-I157 HydrophobicContact CG-CD1 3.81Å
145W87.4Confident87.2Confident74 Ų7454.8 Ų54.828%0.2829%0.286SS..Hα-helixtrans-70.7-48.9173169.179.1000112.1Q141 W142 L143 V147 K148 E149 Y150 H191Q141-W145 PolarHBondContact O-N 3.3Å; W142-W145 PolarHBondContact O-N 3.21Å; L143-W145 VanDerWaalsContact C-N 3.28Å; L143-W145 PolarHBondContact O-N 3.45Å; W145-V147 VanDerWaalsContact C-N 3.32Å; W145-V147 PolarHBondContact O-N 2.66Å; W145-K148 WeakPolarHBondContact O-CA 3.19Å; W145-K148 WeakPolarHBondContact O-CB 3.19Å; W145-K148 PolarHBondContact O-N 2.62Å; W145-E149 HydrophobicContact CD2-CB 4.35Å; W145-E149 HydrophobicContact CH2-CB 4.37Å; W145-E149 HydrophobicContact CH2-CG 4.3Å; W145-E149 HydrophobicContact CZ2-CB 3.88Å; W145-E149 HydrophobicContact CZ2-CG 3.6Å; W145-E149 PolarHBondContact NE1-OE2 3.29Å; W145-E149 WeakPolarHBondContact O-CB 3.32Å; W145-E149 PolarHBondContact O-N 3.48Å; W145-Y150 HydrophobicContact CH2-CE2 4.06Å; W145-Y150 AromaticContact CZ3-CE2 4Å; W145-Y150 HydrophobicContact CZ3-CE2 4Å; W145-H191 AromaticContact CH2-CE1 3.57Å; W145-H191 AromaticContact CH2-NE2 3.94Å; W145-H191 AromaticContact CZ3-CE1 3.22Å; W145-H191 WeakPolarHBondContact CZ3-CE1 3.16Å; W145-H191 AromaticContact CZ3-ND1 3.62Å
146A87.4Confident87.1Confident0 Ų056.2 Ų56.20%029%0.29CS..Hα-helixtrans-63.4-36.8-17500000112.4W142 L143 K148 E149 Y150 L188W142-A146 WeakPolarHBondContact O-CB 3.45Å; W142-A146 PolarHBondContact O-N 2.83Å; L143-A146 PolarHBondContact O-N 3.25Å; A146-K148 VanDerWaalsContact C-N 3.33Å; A146-K148 PolarHBondContact O-N 2.95Å; A146-E149 PolarHBondContact O-N 3.44Å; A146-Y150 HydrophobicContact CB-CD2 4.15Å; A146-Y150 HydrophobicContact CB-CE2 4.39Å; A146-Y150 WeakPolarHBondContact O-CB 3.43Å; A146-Y150 WeakPolarHBondContact O-CD2 3.38Å; A146-Y150 PolarHBondContact O-N 2.98Å; A146-L188 HydrophobicContact CB-CD2 3.78Å
147V88.1Confident86.9Confident38 Ų3855.7 Ų55.723%0.2329%0.285CS..Hα-helixtrans-60.4-42.8172.6168.60000111.4L143 W145 G151 L152 V155L143-V147 WeakPolarHBondContact O-CB 3.22Å; L143-V147 VanDerWaalsContact O-CG2 3.24Å; L143-V147 WeakPolarHBondContact O-CG2 3.38Å; L143-V147 PolarHBondContact O-N 3.29Å; W145-V147 VanDerWaalsContact C-N 3.32Å; W145-V147 PolarHBondContact O-N 2.66Å; V147-G151 CarbonylContact O-C 3.38Å; V147-G151 WeakPolarHBondContact O-CA 3.48Å; V147-G151 PolarHBondContact O-N 2.91Å; V147-G151 VanDerWaalsContact O-N 3.17Å; V147-L152 HydrophobicContact CG2-CB 4.42Å; V147-L152 PolarHBondContact O-N 3.48Å; V147-V155 HydrophobicContact CG2-CB 3.54Å; V147-V155 HydrophobicContact CG2-CG1 3.61Å; V147-V155 HydrophobicContact CG2-CG2 3.86Å
148K85.1Confident86.8Confident170 Ų17058 Ų5874%0.73930%0.296SS*.Hα-helixtrans-71-42.6178.6-176.3-173.7174.8-170.60112.4W145 A146W145-K148 WeakPolarHBondContact O-CA 3.19Å; W145-K148 WeakPolarHBondContact O-CB 3.19Å; W145-K148 PolarHBondContact O-N 2.62Å; A146-K148 VanDerWaalsContact C-N 3.33Å; A146-K148 PolarHBondContact O-N 2.95Å
149E85Confident86.8Confident110 Ų11059.5 Ų59.551%0.51431%0.306SS..Hα-helixtrans-77-45.1-172.5-157.569.6-11600112.6W145 A146W145-E149 HydrophobicContact CD2-CB 4.35Å; W145-E149 HydrophobicContact CH2-CB 4.37Å; W145-E149 HydrophobicContact CH2-CG 4.3Å; W145-E149 HydrophobicContact CZ2-CB 3.88Å; W145-E149 HydrophobicContact CZ2-CG 3.6Å; W145-E149 PolarHBondContact NE1-OE2 3.29Å; W145-E149 WeakPolarHBondContact O-CB 3.32Å; W145-E149 PolarHBondContact O-N 3.48Å; A146-E149 PolarHBondContact O-N 3.44Å
150Y84.7Confident86.7Confident64 Ų6459.6 Ų59.625%0.25131%0.306SS..Hα-helixtrans-89.4-2.5178.5-59.3-68.5000113.3W145 A146 I187 H191W145-Y150 HydrophobicContact CH2-CE2 4.06Å; W145-Y150 AromaticContact CZ3-CE2 4Å; W145-Y150 HydrophobicContact CZ3-CE2 4Å; A146-Y150 HydrophobicContact CB-CD2 4.15Å; A146-Y150 HydrophobicContact CB-CE2 4.39Å; A146-Y150 WeakPolarHBondContact O-CB 3.43Å; A146-Y150 WeakPolarHBondContact O-CD2 3.38Å; A146-Y150 PolarHBondContact O-N 2.98Å; Y150-I187 HydrophobicContact CD1-CG2 4.1Å; Y150-I187 HydrophobicContact CD2-CG2 3.84Å; Y150-I187 HydrophobicContact CE2-CG2 4.33Å; Y150-I187 HydrophobicContact CG-CG2 3.72Å; Y150-H191 HydrophobicContact CE2-CB 4.35Å; Y150-H191 PolarHBondContact OH-CD2 3.12Å; Y150-H191 VanDerWaalsContact OH-CD2 3.29Å
151G85.9Confident86.6Confident57 Ų5761.2 Ų61.259%0.58832%0.317SS*.THydrogen-bonded Turntrans64.240.717900000113.5V147 P153V147-G151 CarbonylContact O-C 3.38Å; V147-G151 WeakPolarHBondContact O-CA 3.48Å; V147-G151 PolarHBondContact O-N 2.91Å; V147-G151 VanDerWaalsContact O-N 3.17Å; G151-P153 WeakPolarHBondContact O-CD 3.42Å
152L85.6Confident86.8Confident8 Ų865.6 Ų65.64%0.04234%0.342CS..  trans-76.1116.8-170.8-53.9179.8000111.6V147 V155 I187 L188V147-L152 HydrophobicContact CG2-CB 4.42Å; V147-L152 PolarHBondContact O-N 3.48Å; L152-V155 HydrophobicContact CB-CG2 3.6Å; L152-V155 HydrophobicContact CD1-CG2 4.13Å; L152-I187 HydrophobicContact CD2-CB 4.3Å; L152-I187 HydrophobicContact CD2-CD1 3.61Å; L152-I187 HydrophobicContact CD2-CG2 4.16Å; L152-L188 HydrophobicContact CD1-CD2 3.9Å; L152-L188 HydrophobicContact CD1-CG 4.08Å
153P83.8Confident86.9Confident73 Ų7366.7 Ų66.747%0.47435%0.348SS..THydrogen-bonded Turntrans-72.5154.2172.932.4-35000111G151 V155 N184G151-P153 WeakPolarHBondContact O-CD 3.42Å; P153-V155 PolarHBondContact O-N 3.24Å; P153-N184 PolarHBondContact O-ND2 2.97Å
154D80.8Confident86.9Confident142 Ų14268.9 Ų68.976%0.75936%0.359SS*.THydrogen-bonded Turntrans56.524.2165.7-51.2-42000116.8N156D154-N156 PolarHBondContact O-N 3.09Å
155V83.9Confident87.1Confident18 Ų1866.5 Ų66.511%0.10935%0.348CS..  trans-79.7101.9171.8-179.30000110.3L143 V147 L152 P153 I157 N184L143-V155 HydrophobicContact CD1-CG1 3.88Å; L143-V155 HydrophobicContact CD2-CG1 4.09Å; L143-V155 HydrophobicContact CG-CG1 4.04Å; V147-V155 HydrophobicContact CG2-CB 3.54Å; V147-V155 HydrophobicContact CG2-CG1 3.61Å; V147-V155 HydrophobicContact CG2-CG2 3.86Å; L152-V155 HydrophobicContact CB-CG2 3.6Å; L152-V155 HydrophobicContact CD1-CG2 4.13Å; P153-V155 PolarHBondContact O-N 3.24Å; V155-I157 PolarHBondContact O-N 3.42Å; V155-I157 VanDerWaalsContact O-N 3.14Å; V155-N184 HydrophobicContact CG2-CB 4.17Å; V155-N184 VanDerWaalsContact CG2-ND2 3.31Å; V155-N184 WeakPolarHBondContact CG2-ND2 3.37Å
156N86.1Confident87.2Confident77 Ų7767.9 Ų67.941%0.41236%0.356SS..  trans-79.495.5174.6-174.6-1.3000111.5D154 L158 L159D154-N156 PolarHBondContact O-N 3.09Å; N156-L158 PolarHBondContact O-N 2.96Å; N156-L158 VanDerWaalsContact O-N 3.12Å; N156-L158 WeakPolarHBondContact OD1-CB 3.49Å; N156-L158 PolarHBondContact OD1-N 2.96Å; N156-L159 HydrophobicContact CB-CD1 3.98Å; N156-L159 HydrophobicContact CB-CG 4.13Å; N156-L159 WeakPolarHBondContact O-CB 3.42Å; N156-L159 PolarHBondContact O-N 2.92Å
157I87.4Confident87.4Confident49 Ų4972.2 Ų72.225%0.25138%0.376SS..G310 helixtrans-55.2-29.9-178.9-62.4163.3000112.6R140 L143 E144 V155 L159 F160R140-I157 HydrophobicContact CG-CG2 4.09Å; L143-I157 HydrophobicContact CD2-CB 4.29Å; L143-I157 HydrophobicContact CD2-CG1 4.05Å; L143-I157 HydrophobicContact CD2-CG2 4.32Å; L143-I157 HydrophobicContact CG-CG1 4.23Å; E144-I157 HydrophobicContact CG-CD1 3.81Å; V155-I157 PolarHBondContact O-N 3.42Å; V155-I157 VanDerWaalsContact O-N 3.14Å; I157-L159 PolarHBondContact O-N 3.38Å; I157-F160 PolarHBondContact O-N 3.44Å
158L87.8Confident87.7Confident117 Ų11770.4 Ų70.461%0.61337%0.365SS*.G310 helixtrans-63.6-24.6179.2-58.3176.3000112.9N156 F160 Q161N156-L158 PolarHBondContact O-N 2.96Å; N156-L158 VanDerWaalsContact O-N 3.12Å; N156-L158 WeakPolarHBondContact OD1-CB 3.49Å; N156-L158 PolarHBondContact OD1-N 2.96Å; L158-F160 PolarHBondContact O-N 2.89Å; L158-Q161 VanDerWaalsContact O-CG 3.22Å; L158-Q161 WeakPolarHBondContact O-CG 3.36Å; L158-Q161 PolarHBondContact O-N 3.05Å; L158-Q161 PolarHBondContact O-OE1 3.36Å
159L89.5Confident87.9Confident84 Ų8463.1 Ų63.144%0.4434%0.336SS..G310 helixtrans-69.9-17.3176.3-62.9177.3000112.9N156 I157 L179N156-L159 HydrophobicContact CB-CD1 3.98Å; N156-L159 HydrophobicContact CB-CG 4.13Å; N156-L159 WeakPolarHBondContact O-CB 3.42Å; N156-L159 PolarHBondContact O-N 2.92Å; I157-L159 PolarHBondContact O-N 3.38Å; L159-L179 HydrophobicContact CB-CB 4.31Å; L159-L179 HydrophobicContact CB-CD2 4.3Å; L159-L179 VanDerWaalsContact CD1-O 3.27Å; L159-L179 WeakPolarHBondContact CD1-O 3.45Å
160F89.7Confident88.2Confident1 Ų164.4 Ų64.40%0.00434%0.34CS..G310 helixtrans-102.7-3.3179.6-63.8-99.9000113.2L143 I157 L158 N162 I163 L168 F176 L179L143-F160 HydrophobicContact CD2-CB 3.87Å; L143-F160 HydrophobicContact CD2-CD1 4.27Å; L143-F160 HydrophobicContact CD2-CD2 3.38Å; L143-F160 HydrophobicContact CD2-CE2 3.93Å; L143-F160 HydrophobicContact CD2-CG 3.58Å; I157-F160 PolarHBondContact O-N 3.44Å; L158-F160 PolarHBondContact O-N 2.89Å; F160-N162 PolarHBondContact O-N 2.88Å; F160-I163 HydrophobicContact CB-CD1 4.48Å; F160-I163 HydrophobicContact CD1-CD1 4.04Å; F160-I163 WeakPolarHBondContact O-CB 3.24Å; F160-I163 PolarHBondContact O-N 3.13Å; F160-L168 HydrophobicContact CD1-CD1 4.46Å; F160-F176 HydrophobicContact CE1-CD1 4.18Å; F160-F176 HydrophobicContact CE1-CE1 4.01Å; F160-F176 HydrophobicContact CZ-CD1 4.43Å; F160-L179 HydrophobicContact CD1-CD1 3.99Å; F160-L179 HydrophobicContact CE1-CB 4.27Å; F160-L179 HydrophobicContact CE1-CD1 3.76Å; F160-L179 HydrophobicContact CE2-CB 3.77Å; F160-L179 HydrophobicContact CE2-CD1 4.35Å; F160-L179 HydrophobicContact CG-CD1 4.39Å; F160-L179 HydrophobicContact CZ-CB 3.6Å; F160-L179 HydrophobicContact CZ-CD1 3.96Å; F160-L179 HydrophobicContact CZ-CG 4.44Å
161Q87.5Confident88.4Confident107 Ų10762.7 Ų62.750%0.533%0.334SS..THydrogen-bonded Turntrans-59-23.8-167.472.9176.452.900115.6L158L158-Q161 VanDerWaalsContact O-CG 3.22Å; L158-Q161 WeakPolarHBondContact O-CG 3.36Å; L158-Q161 PolarHBondContact O-N 3.05Å; L158-Q161 PolarHBondContact O-OE1 3.36Å
162N89Confident88.6Confident136 Ų13663.2 Ų63.273%0.72733%0.326SS*.THydrogen-bonded Turntrans-105.73.6-177.7-66.3-21.5000112.9F160F160-N162 PolarHBondContact O-N 2.88Å
163I91.7Very high88.8Confident27 Ų2766.7 Ų66.714%0.13834%0.341CS..  trans-93.9121-175.3-54.8-176.6000108.6T136 V139 F160 E167 L168 M171 L179T136-I163 WeakPolarHBondContact CA-O 3.44Å; V139-I163 WeakPolarHBondContact CG2-O 3.34Å; F160-I163 HydrophobicContact CB-CD1 4.48Å; F160-I163 HydrophobicContact CD1-CD1 4.04Å; F160-I163 WeakPolarHBondContact O-CB 3.24Å; F160-I163 PolarHBondContact O-N 3.13Å; I163-E167 HydrophobicContact CG2-CB 3.96Å; I163-L168 HydrophobicContact CG2-CB 3.97Å; I163-L168 HydrophobicContact CG2-CD1 4.29Å; I163-M171 HydrophobicContact CD1-SD 3.93Å; I163-M171 HydrophobicContact CG2-SD 4.28Å; I163-L179 HydrophobicContact CD1-CD1 3.54Å
164D91.3Very high89.2Confident45 Ų4567.9 Ų67.924%0.24134%0.343CS..  trans-87.1173.6171.891.2-12.7000111.3T136 K166 E167 L168T136-D164 HydrophobicContact CG2-CB 4.39Å; D164-K166 PolarHBondContact O-N 3.1Å; D164-K166 WeakPolarHBondContact OD1-CA 3.48Å; D164-K166 WeakPolarHBondContact OD1-CB 3.19Å; D164-K166 PolarHBondContact OD1-N 2.87Å; D164-E167 PolarHBondContact O-N 3.02Å; D164-E167 PolarHBondContact OD1-N 3.33Å; D164-L168 WeakPolarHBondContact O-CB 3.25Å; D164-L168 PolarHBondContact O-N 3.5Å
165G90.8Very high89.7Confident0 Ų064 Ų640%032%0.322CS..Hα-helixtrans-59.2-28-179.900000115P131 W134 C169P131-G165 CarbonylContact O-C 3.6Å; P131-G165 WeakPolarHBondContact O-CA 3.25Å; W134-G165 WeakPolarHBondContact O-CA 3.49Å; W134-G165 PolarHBondContact O-N 3.07Å; G165-C169 VanDerWaalsContact O-CB 3.31Å; G165-C169 WeakPolarHBondContact O-CB 3.32Å; G165-C169 PolarHBondContact O-N 3.28Å; G165-C169 PolarHBondContact O-SG 3.26Å
166K90.5Very high90.1Very high103 Ų10363.1 Ų63.145%0.44832%0.317SS..Hα-helixtrans-79.1-43.8-179.4-57.3170.5-169.9150.90110.8T132 D164 C169 K170T132-K166 WeakPolarHBondContact O-CG 3.44Å; D164-K166 PolarHBondContact O-N 3.1Å; D164-K166 WeakPolarHBondContact OD1-CA 3.48Å; D164-K166 WeakPolarHBondContact OD1-CB 3.19Å; D164-K166 PolarHBondContact OD1-N 2.87Å; K166-C169 PolarHBondContact O-N 2.82Å; K166-K170 VanDerWaalsContact O-CG 3.29Å; K166-K170 WeakPolarHBondContact O-CG 3.48Å; K166-K170 PolarHBondContact O-N 3.02Å
167E92.3Very high90.3Very high91 Ų9163.4 Ų63.443%0.42532%0.316SS..Hα-helixtrans-65.2-42.9173.6-61.2-45.4120.500110.5I163 D164 C169 K170 M171I163-E167 HydrophobicContact CG2-CB 3.96Å; D164-E167 PolarHBondContact O-N 3.02Å; D164-E167 PolarHBondContact OD1-N 3.33Å; E167-C169 VanDerWaalsContact C-N 3.27Å; E167-C169 PolarHBondContact O-N 3.14Å; E167-K170 PolarHBondContact O-N 2.83Å; E167-K170 IonicContact OE1-NZ 3.51Å; E167-K170 PolarHBondContact OE1-NZ 2.97Å; E167-K170 IonicContact OE2-NZ 2.82Å; E167-M171 WeakPolarHBondContact O-CG 3.36Å; E167-M171 PolarHBondContact O-N 3.35Å
168L92.4Very high90.5Very high0 Ų070.1 Ų70.10%034%0.338CS..Hα-helixtrans-56.4-40.9174-167.774.3000111.9W134 V139 W142 F160 I163 D164 K170 M171 F176 L192W134-L168 HydrophobicContact CE3-CD2 3.92Å; W134-L168 HydrophobicContact CZ3-CD2 3.81Å; V139-L168 HydrophobicContact CG1-CD1 4.39Å; V139-L168 HydrophobicContact CG1-CD2 4.22Å; V139-L168 HydrophobicContact CG2-CD2 4.11Å; W142-L168 HydrophobicContact CE3-CD2 4.23Å; W142-L168 HydrophobicContact CH2-CD2 4.3Å; W142-L168 HydrophobicContact CZ3-CD1 4.38Å; W142-L168 HydrophobicContact CZ3-CD2 3.9Å; F160-L168 HydrophobicContact CD1-CD1 4.46Å; I163-L168 HydrophobicContact CG2-CB 3.97Å; I163-L168 HydrophobicContact CG2-CD1 4.29Å; D164-L168 WeakPolarHBondContact O-CB 3.25Å; D164-L168 PolarHBondContact O-N 3.5Å; L168-K170 VanDerWaalsContact C-N 3.3Å; L168-K170 PolarHBondContact O-N 2.96Å; L168-M171 HydrophobicContact CD1-SD 4.11Å; L168-M171 PolarHBondContact O-N 3.07Å; L168-F176 HydrophobicContact CD1-CE1 4.17Å; L168-F176 HydrophobicContact CD1-CZ 3.64Å; L168-F176 HydrophobicContact CG-CZ 4.3Å; L168-L192 HydrophobicContact CD2-CD1 3.97Å; L168-L192 HydrophobicContact CD2-CD2 4.34Å; L168-L192 HydrophobicContact CG-CD1 4.42Å; L168-L192 HydrophobicContact CG-CD2 3.94Å; L168-L192 WeakPolarHBondContact O-CD2 3.38Å
169C90.5Very high90.6Very high17 Ų1766.4 Ų66.412%0.11532%0.319CS..Hα-helixtrans-74-13.2176.8-72.60000115.1T132 G165 K166 E167 R196T132-C169 HydrophobicContact CG2-CB 4.16Å; G165-C169 VanDerWaalsContact O-CB 3.31Å; G165-C169 WeakPolarHBondContact O-CB 3.32Å; G165-C169 PolarHBondContact O-N 3.28Å; G165-C169 PolarHBondContact O-SG 3.26Å; K166-C169 PolarHBondContact O-N 2.82Å; E167-C169 VanDerWaalsContact C-N 3.27Å; E167-C169 PolarHBondContact O-N 3.14Å; C169-R196 PolarHBondContact O-NH1 3.33Å
170K91Very high90.6Very high137 Ų13762.8 Ų62.860%0.59630%0.3SS*.Hα-helixtrans-93.2-25.1173.7-68.5167.1-168.8174.20112.9K166 E167 L168 T172K166-K170 VanDerWaalsContact O-CG 3.29Å; K166-K170 WeakPolarHBondContact O-CG 3.48Å; K166-K170 PolarHBondContact O-N 3.02Å; E167-K170 PolarHBondContact O-N 2.83Å; E167-K170 IonicContact OE1-NZ 3.51Å; E167-K170 PolarHBondContact OE1-NZ 2.97Å; E167-K170 IonicContact OE2-NZ 2.82Å; L168-K170 VanDerWaalsContact C-N 3.3Å; L168-K170 PolarHBondContact O-N 2.96Å; K170-T172 PolarHBondContact O-N 3.02Å
171M89.7Confident90.6Very high27 Ų2766 Ų6613%0.13332%0.321CS..  trans-54.2130.1-176.3-79.1177.968.700111.9I163 E167 L168 D175 F176 L179I163-M171 HydrophobicContact CD1-SD 3.93Å; I163-M171 HydrophobicContact CG2-SD 4.28Å; E167-M171 WeakPolarHBondContact O-CG 3.36Å; E167-M171 PolarHBondContact O-N 3.35Å; L168-M171 HydrophobicContact CD1-SD 4.11Å; L168-M171 PolarHBondContact O-N 3.07Å; M171-D175 HydrophobicContact CB-CB 4.05Å; M171-D175 HydrophobicContact CE-CB 3.86Å; M171-D175 HydrophobicContact CG-CB 4.06Å; M171-F176 HydrophobicContact CB-CD2 3.84Å; M171-F176 HydrophobicContact CB-CE2 3.66Å; M171-F176 HydrophobicContact CE-CB 4.4Å; M171-F176 HydrophobicContact CE-CD1 4.26Å; M171-F176 HydrophobicContact CE-CD2 3.78Å; M171-F176 HydrophobicContact CE-CE2 4.08Å; M171-F176 HydrophobicContact CE-CG 3.88Å; M171-F176 HydrophobicContact CE-CZ 4.44Å; M171-F176 HydrophobicContact SD-CE2 4.24Å; M171-F176 HydrophobicContact SD-CZ 4.48Å; M171-L179 HydrophobicContact CE-CD1 3.65Å; M171-L179 HydrophobicContact CE-CG 4.33Å; M171-L179 HydrophobicContact SD-CD1 4.49Å
172T90.4Very high90.6Very high69 Ų6964.1 Ų64.142%0.42332%0.32SS..  trans-77.9170.2171.566.80000111.1K170 D174 D175 F176K170-T172 PolarHBondContact O-N 3.02Å; T172-D174 PolarHBondContact O-N 3.44Å; T172-D174 PolarHBondContact OG1-N 2.94Å; T172-D175 WeakPolarHBondContact CB-OD2 3.47Å; T172-D175 PolarHBondContact N-OD2 3.43Å; T172-D175 PolarHBondContact O-N 3.3Å; T172-D175 VanDerWaalsContact O-N 3.13Å; T172-D175 PolarHBondContact OG1-N 2.85Å; T172-D175 PolarHBondContact OG1-OD2 3.13Å; T172-F176 PolarHBondContact O-N 2.9Å; T172-F176 VanDerWaalsContact O-N 3.13Å
173K89.2Confident90.5Very high81 Ų8164.6 Ų64.635%0.35231%0.313SS..Hα-helixtrans-56.6-40.7170.4178.5167.2175.9159.30111.5D175 F176 Q177 D186 L189K173-D175 VanDerWaalsContact C-N 3.31Å; K173-D175 PolarHBondContact O-N 3.07Å; K173-F176 PolarHBondContact O-N 3.46Å; K173-Q177 HydrophobicContact CG-CG 4.46Å; K173-Q177 WeakPolarHBondContact O-CB 3.48Å; K173-Q177 VanDerWaalsContact O-CG 3.32Å; K173-Q177 WeakPolarHBondContact O-CG 3.45Å; K173-Q177 PolarHBondContact O-N 3.37Å; K173-D186 WeakPolarHBondContact CE-OD1 3.44Å; K173-D186 WeakPolarHBondContact CE-OD2 3.32Å; K173-D186 IonicContact NZ-OD1 3.61Å; K173-D186 PolarHBondContact NZ-OD1 3.3Å; K173-D186 IonicContact NZ-OD2 2.73Å; K173-D186 PolarHBondContact NZ-OD2 3.2Å; K173-L189 HydrophobicContact CB-CD2 3.96Å
174D91.6Very high90.4Very high98 Ų9863.4 Ų63.452%0.52431%0.306SS..Hα-helixtrans-62-36176.2-59.7-99.3000112.5T172 Q177 R178T172-D174 PolarHBondContact O-N 3.44Å; T172-D174 PolarHBondContact OG1-N 2.94Å; D174-Q177 PolarHBondContact O-N 3.46Å; D174-R178 WeakPolarHBondContact O-CG 3.36Å; D174-R178 PolarHBondContact O-N 3.39Å
175D92.3Very high90.4Very high60 Ų6061.2 Ų61.232%0.32130%0.295SS..Hα-helixtrans-69.8-43.3177-58.7-51.1000111.6M171 T172 K173 Q177 R178M171-D175 HydrophobicContact CB-CB 4.05Å; M171-D175 HydrophobicContact CE-CB 3.86Å; M171-D175 HydrophobicContact CG-CB 4.06Å; T172-D175 WeakPolarHBondContact CB-OD2 3.47Å; T172-D175 PolarHBondContact N-OD2 3.43Å; T172-D175 PolarHBondContact O-N 3.3Å; T172-D175 VanDerWaalsContact O-N 3.13Å; T172-D175 PolarHBondContact OG1-N 2.85Å; T172-D175 PolarHBondContact OG1-OD2 3.13Å; K173-D175 VanDerWaalsContact C-N 3.31Å; K173-D175 PolarHBondContact O-N 3.07Å; D175-Q177 VanDerWaalsContact C-N 3.3Å; D175-Q177 PolarHBondContact O-N 2.83Å; D175-R178 WeakPolarHBondContact O-CB 3.34Å; D175-R178 PolarHBondContact O-N 3.35Å; D175-R178 VanDerWaalsContact O-N 3.16Å
176F91.5Very high90.2Very high0 Ų064.1 Ų64.10%031%0.31CS..Hα-helixtrans-60.4-40.5171.7-87.7-88.6000111.7F160 L168 M171 T172 K173 R178 L179 T180 A185 L188 L189 L192F160-F176 HydrophobicContact CE1-CD1 4.18Å; F160-F176 HydrophobicContact CE1-CE1 4.01Å; F160-F176 HydrophobicContact CZ-CD1 4.43Å; L168-F176 HydrophobicContact CD1-CE1 4.17Å; L168-F176 HydrophobicContact CD1-CZ 3.64Å; L168-F176 HydrophobicContact CG-CZ 4.3Å; M171-F176 HydrophobicContact CB-CD2 3.84Å; M171-F176 HydrophobicContact CB-CE2 3.66Å; M171-F176 HydrophobicContact CE-CB 4.4Å; M171-F176 HydrophobicContact CE-CD1 4.26Å; M171-F176 HydrophobicContact CE-CD2 3.78Å; M171-F176 HydrophobicContact CE-CE2 4.08Å; M171-F176 HydrophobicContact CE-CG 3.88Å; M171-F176 HydrophobicContact CE-CZ 4.44Å; M171-F176 HydrophobicContact SD-CE2 4.24Å; M171-F176 HydrophobicContact SD-CZ 4.48Å; T172-F176 PolarHBondContact O-N 2.9Å; T172-F176 VanDerWaalsContact O-N 3.13Å; K173-F176 PolarHBondContact O-N 3.46Å; F176-R178 PolarHBondContact O-N 3.13Å; F176-L179 PolarHBondContact O-N 3.05Å; F176-T180 PolarHBondContact O-N 3.44Å; F176-A185 HydrophobicContact CB-CB 3.71Å; F176-L188 HydrophobicContact CD1-CB 4.22Å; F176-L188 HydrophobicContact CD1-CD1 4.48Å; F176-L188 HydrophobicContact CE1-CB 3.92Å; F176-L188 HydrophobicContact CE1-CD1 4.43Å; F176-L189 HydrophobicContact CD2-CD1 4.18Å; F176-L189 HydrophobicContact CE2-CD1 3.96Å; F176-L192 HydrophobicContact CE2-CD2 4.31Å; F176-L192 HydrophobicContact CZ-CD2 4.12Å
177Q91.4Very high90.1Very high83 Ų8360.9 Ų60.939%0.38830%0.297SS..Hα-helixtrans-66.8-14.5177.4-73.5-172.5-6.800114.4K173 D174 D175 A185K173-Q177 HydrophobicContact CG-CG 4.46Å; K173-Q177 WeakPolarHBondContact O-CB 3.48Å; K173-Q177 VanDerWaalsContact O-CG 3.32Å; K173-Q177 WeakPolarHBondContact O-CG 3.45Å; K173-Q177 PolarHBondContact O-N 3.37Å; D174-Q177 PolarHBondContact O-N 3.46Å; D175-Q177 VanDerWaalsContact C-N 3.3Å; D175-Q177 PolarHBondContact O-N 2.83Å; Q177-A185 HydrophobicContact CG-CB 3.79Å
178R90.6Very high90.1Very high189 Ų18956.5 Ų56.571%0.71328%0.277SS*.Hα-helixtrans-82.1-21.7169.4-67.1166.2-163.5-71.4-5.3113.1D174 D175 F176D174-R178 WeakPolarHBondContact O-CG 3.36Å; D174-R178 PolarHBondContact O-N 3.39Å; D175-R178 WeakPolarHBondContact O-CB 3.34Å; D175-R178 PolarHBondContact O-N 3.35Å; D175-R178 VanDerWaalsContact O-N 3.16Å; F176-R178 PolarHBondContact O-N 3.13Å
179L90.3Very high89.9Confident40 Ų4058.6 Ų58.621%0.20929%0.288CS..Hα-helixtrans-105.8-20-176.3-52-172.9000113.5L159 F160 I163 M171 F176L159-L179 HydrophobicContact CB-CB 4.31Å; L159-L179 HydrophobicContact CB-CD2 4.3Å; L159-L179 VanDerWaalsContact CD1-O 3.27Å; L159-L179 WeakPolarHBondContact CD1-O 3.45Å; F160-L179 HydrophobicContact CD1-CD1 3.99Å; F160-L179 HydrophobicContact CE1-CB 4.27Å; F160-L179 HydrophobicContact CE1-CD1 3.76Å; F160-L179 HydrophobicContact CE2-CB 3.77Å; F160-L179 HydrophobicContact CE2-CD1 4.35Å; F160-L179 HydrophobicContact CG-CD1 4.39Å; F160-L179 HydrophobicContact CZ-CB 3.6Å; F160-L179 HydrophobicContact CZ-CD1 3.96Å; F160-L179 HydrophobicContact CZ-CG 4.44Å; I163-L179 HydrophobicContact CD1-CD1 3.54Å; M171-L179 HydrophobicContact CE-CD1 3.65Å; M171-L179 HydrophobicContact CE-CG 4.33Å; M171-L179 HydrophobicContact SD-CD1 4.49Å; F176-L179 PolarHBondContact O-N 3.05Å
180T89.9Confident89.7Confident8 Ų860.4 Ų60.45%0.04930%0.301CS..SBendtrans-154.7154.6-179.2-160.70000111.5F176 N184 A185 L188F176-T180 PolarHBondContact O-N 3.44Å; T180-N184 HydrophobicContact CG2-CB 3.75Å; T180-N184 WeakPolarHBondContact OG1-CB 3.27Å; T180-N184 PolarHBondContact OG1-ND2 3.22Å; T180-A185 HydrophobicContact CG2-CB 4.05Å; T180-L188 HydrophobicContact CG2-CD1 4.23Å
181P89.1Confident89.4Confident67 Ų6754.5 Ų54.544%0.43528%0.275SS..  trans-50.2148.9175.9-31.136.9000114Y183 N184 A185P181-Y183 VanDerWaalsContact C-N 3.25Å; P181-Y183 PolarHBondContact O-N 3.43Å; P181-Y183 VanDerWaalsContact O-N 3.11Å; P181-N184 WeakPolarHBondContact O-CB 3.34Å; P181-N184 PolarHBondContact O-N 2.94Å; P181-A185 PolarHBondContact O-N 3.16Å
182S87.2Confident89.4Confident69 Ų6953.3 Ų53.348%0.48327%0.269SS..Hα-helixtrans-54.4-36.3-172.451.70000114.7A185 D186S182-A185 PolarHBondContact O-N 3.2Å; S182-D186 PolarHBondContact O-N 2.95Å; S182-D186 VanDerWaalsContact O-N 3.09Å
183Y87.1Confident89.1Confident146 Ų14655 Ų5557%0.57327%0.272SS*.Hα-helixtrans-60.6-47.4173.1174.6-102.8000112.8P181 D186 I187P181-Y183 VanDerWaalsContact C-N 3.25Å; P181-Y183 PolarHBondContact O-N 3.43Å; P181-Y183 VanDerWaalsContact O-N 3.11Å; Y183-D186 PolarHBondContact O-N 3.39Å; Y183-I187 HydrophobicContact CD1-CD1 4.15Å; Y183-I187 HydrophobicContact CD2-CD1 4.49Å; Y183-I187 HydrophobicContact CE1-CD1 3.6Å; Y183-I187 HydrophobicContact CE2-CD1 3.99Å; Y183-I187 PolarHBondContact O-N 2.99Å
184N90Very high88.7Confident1 Ų154.8 Ų54.81%0.00527%0.27CS..Hα-helixtrans-68-39.3177.7-62.6-17.8000111.2P153 V155 T180 P181 D186 I187 L188P153-N184 PolarHBondContact O-ND2 2.97Å; V155-N184 HydrophobicContact CG2-CB 4.17Å; V155-N184 VanDerWaalsContact CG2-ND2 3.31Å; V155-N184 WeakPolarHBondContact CG2-ND2 3.37Å; T180-N184 HydrophobicContact CG2-CB 3.75Å; T180-N184 WeakPolarHBondContact OG1-CB 3.27Å; T180-N184 PolarHBondContact OG1-ND2 3.22Å; P181-N184 WeakPolarHBondContact O-CB 3.34Å; P181-N184 PolarHBondContact O-N 2.94Å; N184-D186 VanDerWaalsContact C-N 3.31Å; N184-D186 PolarHBondContact O-N 3.49Å; N184-I187 PolarHBondContact O-N 3.39Å; N184-L188 WeakPolarHBondContact O-CB 3.42Å; N184-L188 WeakPolarHBondContact O-CG 3.36Å; N184-L188 PolarHBondContact O-N 3.06Å
185A91Very high88.2Confident0 Ų051.4 Ų51.40%025%0.251CS..Hα-helixtrans-57.5-44.417700000111.3F176 Q177 T180 P181 S182 L189F176-A185 HydrophobicContact CB-CB 3.71Å; Q177-A185 HydrophobicContact CG-CB 3.79Å; T180-A185 HydrophobicContact CG2-CB 4.05Å; P181-A185 PolarHBondContact O-N 3.16Å; S182-A185 PolarHBondContact O-N 3.2Å; A185-L189 WeakPolarHBondContact O-CB 3.43Å; A185-L189 PolarHBondContact O-N 2.6Å
186D86.3Confident87.5Confident61 Ų6154.7 Ų54.733%0.32626%0.259SS..Hα-helixtrans-66.5-37.5177.7-84.7-43.3000113.1K173 S182 Y183 N184 S190K173-D186 WeakPolarHBondContact CE-OD1 3.44Å; K173-D186 WeakPolarHBondContact CE-OD2 3.32Å; K173-D186 IonicContact NZ-OD1 3.61Å; K173-D186 PolarHBondContact NZ-OD1 3.3Å; K173-D186 IonicContact NZ-OD2 2.73Å; K173-D186 PolarHBondContact NZ-OD2 3.2Å; S182-D186 PolarHBondContact O-N 2.95Å; S182-D186 VanDerWaalsContact O-N 3.09Å; Y183-D186 PolarHBondContact O-N 3.39Å; N184-D186 VanDerWaalsContact C-N 3.31Å; N184-D186 PolarHBondContact O-N 3.49Å; D186-S190 WeakPolarHBondContact O-CB 3.38Å; D186-S190 PolarHBondContact O-N 2.93Å; D186-S190 PolarHBondContact O-OG 3.41Å
187I88.7Confident86.3Confident34 Ų3461.3 Ų61.317%0.17429%0.29CS..Hα-helixtrans-69.7-49.1176.8-65.9167.9000111.2Y150 L152 Y183 N184 L189 S190 H191Y150-I187 HydrophobicContact CD1-CG2 4.1Å; Y150-I187 HydrophobicContact CD2-CG2 3.84Å; Y150-I187 HydrophobicContact CE2-CG2 4.33Å; Y150-I187 HydrophobicContact CG-CG2 3.72Å; L152-I187 HydrophobicContact CD2-CB 4.3Å; L152-I187 HydrophobicContact CD2-CD1 3.61Å; L152-I187 HydrophobicContact CD2-CG2 4.16Å; Y183-I187 HydrophobicContact CD1-CD1 4.15Å; Y183-I187 HydrophobicContact CD2-CD1 4.49Å; Y183-I187 HydrophobicContact CE1-CD1 3.6Å; Y183-I187 HydrophobicContact CE2-CD1 3.99Å; Y183-I187 PolarHBondContact O-N 2.99Å; N184-I187 PolarHBondContact O-N 3.39Å; I187-L189 PolarHBondContact O-N 3.29Å; I187-S190 PolarHBondContact O-N 2.97Å; I187-H191 PolarHBondContact O-N 2.88Å
188L91.2Very high84.6Confident0 Ų058.6 Ų58.60%028%0.279CS..Hα-helixtrans-62.8-43.1-179.4-68.9173.9000111.6W142 L143 A146 L152 F176 T180 N184 H191 L192W142-L188 HydrophobicContact CH2-CB 4.05Å; W142-L188 HydrophobicContact CH2-CD2 3.88Å; W142-L188 HydrophobicContact CH2-CG 4.5Å; W142-L188 HydrophobicContact CZ2-CD2 4.25Å; W142-L188 HydrophobicContact CZ3-CD2 4.27Å; L143-L188 HydrophobicContact CD1-CD1 3.7Å; L143-L188 HydrophobicContact CD1-CD2 3.73Å; L143-L188 HydrophobicContact CD1-CG 4.4Å; A146-L188 HydrophobicContact CB-CD2 3.78Å; L152-L188 HydrophobicContact CD1-CD2 3.9Å; L152-L188 HydrophobicContact CD1-CG 4.08Å; F176-L188 HydrophobicContact CD1-CB 4.22Å; F176-L188 HydrophobicContact CD1-CD1 4.48Å; F176-L188 HydrophobicContact CE1-CB 3.92Å; F176-L188 HydrophobicContact CE1-CD1 4.43Å; T180-L188 HydrophobicContact CG2-CD1 4.23Å; N184-L188 WeakPolarHBondContact O-CB 3.42Å; N184-L188 WeakPolarHBondContact O-CG 3.36Å; N184-L188 PolarHBondContact O-N 3.06Å; L188-H191 PolarHBondContact O-N 3.22Å; L188-L192 WeakPolarHBondContact O-CB 3.35Å; L188-L192 PolarHBondContact O-N 3.26Å
189L90Very high82.5Confident44 Ų4455.1 Ų55.123%0.2328%0.282CS..Hα-helixtrans-67.5-39.7176.4-172.665.6000111.7K173 F176 A185 I187 H191 L192 H193K173-L189 HydrophobicContact CB-CD2 3.96Å; F176-L189 HydrophobicContact CD2-CD1 4.18Å; F176-L189 HydrophobicContact CE2-CD1 3.96Å; A185-L189 WeakPolarHBondContact O-CB 3.43Å; A185-L189 PolarHBondContact O-N 2.6Å; I187-L189 PolarHBondContact O-N 3.29Å; L189-H191 PolarHBondContact O-N 3.04Å; L189-L192 PolarHBondContact O-N 2.96Å; L189-H193 VanDerWaalsContact O-CB 3.25Å; L189-H193 WeakPolarHBondContact O-CB 2.93Å; L189-H193 PolarHBondContact O-N 2.97Å
190S84.4Confident80.3Confident54 Ų5457.7 Ų57.738%0.37830%0.295SS..Hα-helixtrans-62.5-40.8175.5-63.70000112.2D186 I187 H193 Y194D186-S190 WeakPolarHBondContact O-CB 3.38Å; D186-S190 PolarHBondContact O-N 2.93Å; D186-S190 PolarHBondContact O-OG 3.41Å; I187-S190 PolarHBondContact O-N 2.97Å; S190-H193 PolarHBondContact O-N 3.28Å; S190-Y194 WeakPolarHBondContact O-CB 3.37Å; S190-Y194 PolarHBondContact O-N 3.04Å
191H86.3Confident77.8Confident14 Ų1460.7 Ų60.77%0.06532%0.315CS..Hα-helixtrans-71.3-40177.2-174.3-127.9000112.2W142 W145 Y150 I187 L188 L189 H193 Y194 L195W142-H191 AromaticContact CE2-ND1 3.97Å; W142-H191 AromaticContact NE1-CE1 3.57Å; W142-H191 AromaticContact NE1-ND1 3.2Å; W142-H191 PolarHBondContact NE1-ND1 3.06Å; W145-H191 AromaticContact CH2-CE1 3.57Å; W145-H191 AromaticContact CH2-NE2 3.94Å; W145-H191 AromaticContact CZ3-CE1 3.22Å; W145-H191 WeakPolarHBondContact CZ3-CE1 3.16Å; W145-H191 AromaticContact CZ3-ND1 3.62Å; Y150-H191 HydrophobicContact CE2-CB 4.35Å; Y150-H191 PolarHBondContact OH-CD2 3.12Å; Y150-H191 VanDerWaalsContact OH-CD2 3.29Å; I187-H191 PolarHBondContact O-N 2.88Å; L188-H191 PolarHBondContact O-N 3.22Å; L189-H191 PolarHBondContact O-N 3.04Å; H191-H193 VanDerWaalsContact C-N 3.3Å; H191-H193 PolarHBondContact O-N 3.05Å; H191-Y194 WeakPolarHBondContact O-CB 3.15Å; H191-Y194 PolarHBondContact O-N 3.3Å; H191-L195 WeakPolarHBondContact O-CG 3.4Å; H191-L195 PolarHBondContact O-N 3.29Å
192L89.1Confident75.6Confident2 Ų259.6 Ų59.61%0.0130%0.303CS..Hα-helixtrans-62.8-36.9172.7-175.167.8000112.2P131 W134 W142 L168 F176 L188 L189 R196P131-L192 HydrophobicContact CB-CD1 3.62Å; P131-L192 HydrophobicContact CG-CD1 4.05Å; W134-L192 HydrophobicContact CZ3-CD1 4.43Å; W142-L192 HydrophobicContact CZ2-CB 4.38Å; L168-L192 HydrophobicContact CD2-CD1 3.97Å; L168-L192 HydrophobicContact CD2-CD2 4.34Å; L168-L192 HydrophobicContact CG-CD1 4.42Å; L168-L192 HydrophobicContact CG-CD2 3.94Å; L168-L192 WeakPolarHBondContact O-CD2 3.38Å; F176-L192 HydrophobicContact CE2-CD2 4.31Å; F176-L192 HydrophobicContact CZ-CD2 4.12Å; L188-L192 WeakPolarHBondContact O-CB 3.35Å; L188-L192 PolarHBondContact O-N 3.26Å; L189-L192 PolarHBondContact O-N 2.96Å; L192-R196 WeakPolarHBondContact O-CG 3.29Å; L192-R196 PolarHBondContact O-N 2.8Å
193H83.2Confident73.5Confident104 Ų10458.5 Ų58.548%0.48129%0.292SS..Hα-helixtrans-69.4-41.9175-163.3-79.4000111.3L189 S190 H191 L195 R196 E197L189-H193 VanDerWaalsContact O-CB 3.25Å; L189-H193 WeakPolarHBondContact O-CB 2.93Å; L189-H193 PolarHBondContact O-N 2.97Å; S190-H193 PolarHBondContact O-N 3.28Å; H191-H193 VanDerWaalsContact C-N 3.3Å; H191-H193 PolarHBondContact O-N 3.05Å; H193-L195 PolarHBondContact O-N 2.88Å; H193-R196 PolarHBondContact O-N 3.24Å; H193-E197 WeakPolarHBondContact CE1-CG 3.37Å; H193-E197 IonicContact CE1-OE1 2.61Å; H193-E197 WeakPolarHBondContact ND1-CG 3.47Å; H193-E197 WeakPolarHBondContact O-CB 3.33Å; H193-E197 WeakPolarHBondContact O-CG 3.39Å; H193-E197 PolarHBondContact O-N 3.48Å
194Y80.5Confident71.7Confident77 Ų7754.8 Ų54.830%0.30228%0.284SS..Hα-helixtrans-55-50.4173.3173.2-102.5000111.4S190 H191 R196 E197 T198 L203 A211S190-Y194 WeakPolarHBondContact O-CB 3.37Å; S190-Y194 PolarHBondContact O-N 3.04Å; H191-Y194 WeakPolarHBondContact O-CB 3.15Å; H191-Y194 PolarHBondContact O-N 3.3Å; Y194-R196 PolarHBondContact O-N 2.99Å; Y194-E197 PolarHBondContact O-N 2.65Å; Y194-T198 HydrophobicContact CD2-CG2 4.34Å; Y194-T198 HydrophobicContact CE2-CG2 3.91Å; Y194-T198 WeakPolarHBondContact O-CG2 3.49Å; Y194-T198 PolarHBondContact O-N 2.71Å; Y194-T198 PolarHBondContact O-OG1 3.2Å; Y194-L203 HydrophobicContact CE1-CD1 3.98Å; Y194-A211 WeakPolarHBondContact OH-CB 3.41Å
195L82.2Confident69.8Low26 Ų2657.1 Ų57.114%0.13630%0.301CS..Hα-helixtrans-61.6-15177.5-67.4169.6000114.4P131 W134 H191 H193 L203P131-L195 HydrophobicContact CG-CB 3.66Å; P131-L195 HydrophobicContact CG-CD1 4.26Å; W134-L195 HydrophobicContact CH2-CD1 3.78Å; W134-L195 HydrophobicContact CZ2-CD1 3.94Å; H191-L195 WeakPolarHBondContact O-CG 3.4Å; H191-L195 PolarHBondContact O-N 3.29Å; H193-L195 PolarHBondContact O-N 2.88Å; L195-L203 HydrophobicContact CD2-CD1 4.17Å
196R78Confident67.8Low130 Ų13060.8 Ų60.849%0.49132%0.321SS..Hα-helixtrans-101-40.2177.5-71.9171.759.3172.52.2113.1P131 C169 L192 H193 Y194 T198P131-R196 HydrophobicContact CG-CG 4.38Å; C169-R196 PolarHBondContact O-NH1 3.33Å; L192-R196 WeakPolarHBondContact O-CG 3.29Å; L192-R196 PolarHBondContact O-N 2.8Å; H193-R196 PolarHBondContact O-N 3.24Å; Y194-R196 PolarHBondContact O-N 2.99Å; R196-T198 PolarHBondContact O-N 3.39Å
197E65.9Low66.2Low138 Ų13861.1 Ų61.165%0.64532%0.322SS*.Hα-helixtrans-65.5-19.7172-73.9-72.9108.900112.2H193 Y194 P199H193-E197 WeakPolarHBondContact CE1-CG 3.37Å; H193-E197 IonicContact CE1-OE1 2.61Å; H193-E197 WeakPolarHBondContact ND1-CG 3.47Å; H193-E197 WeakPolarHBondContact O-CB 3.33Å; H193-E197 WeakPolarHBondContact O-CG 3.39Å; H193-E197 PolarHBondContact O-N 3.48Å; Y194-E197 PolarHBondContact O-N 2.65Å; E197-P199 WeakPolarHBondContact O-CD 3.37Å
198T54.7Low64.7Low26 Ų2660.9 Ų60.916%0.1632%0.322CS..  trans-91.291.4164.358.50000110.8Y194 R196 L200Y194-T198 HydrophobicContact CD2-CG2 4.34Å; Y194-T198 HydrophobicContact CE2-CG2 3.91Å; Y194-T198 WeakPolarHBondContact O-CG2 3.49Å; Y194-T198 PolarHBondContact O-N 2.71Å; Y194-T198 PolarHBondContact O-OG1 3.2Å; R196-T198 PolarHBondContact O-N 3.39Å; T198-L200 HydrophobicContact CG2-CD1 3.72Å; T198-L200 HydrophobicContact CG2-CG 4.19Å; T198-L200 PolarHBondContact O-N 2.78Å
199P47Very low63Low117 Ų11764.4 Ų64.476%0.7634%0.341SS*.  trans-72.754.3157.534.8-36.3000109.1E197 P201E197-P199 WeakPolarHBondContact O-CD 3.37Å; P199-P201 WeakPolarHBondContact O-CD 3.32Å
200L44Very low61.4Low94 Ų9468.6 Ų68.649%0.49236%0.358SS..  trans-103.6104.1179.8-65.4180000107.5T198 H202 L203T198-L200 HydrophobicContact CG2-CD1 3.72Å; T198-L200 HydrophobicContact CG2-CG 4.19Å; T198-L200 PolarHBondContact O-N 2.78Å; L200-H202 PolarHBondContact O-N 3.36Å; L200-L203 HydrophobicContact CD1-CD2 4.3Å
201P37.2Very low59.8Low71 Ų7167.6 Ų67.646%0.46135%0.353SS..SBendtrans-57.4131.4162.8-15.227.8000107.3P199 R302P199-P201 WeakPolarHBondContact O-CD 3.32Å; P201-R302 PolarHBondContact O-NH1 2.98Å; P201-R302 PolarHBondContact O-NH2 2.91Å
202H43.3Very low58.2Low43 Ų4369.5 Ų69.520%0.19936%0.363CS..  trans59.686.5176.6-30.3-74.5000114.7L200 I295 T299 R302L200-H202 PolarHBondContact O-N 3.36Å; H202-I295 PolarHBondContact CE1-O 3.33Å; H202-T299 PolarHBondContact ND1-OG1 3.36Å; H202-R302 PolarHBondContact O-NH1 3.18Å
203L43.3Very low56.6Low47 Ų4775.4 Ų75.425%0.24639%0.391CS..  trans-78.7123.1143.7-72.6166.3000107.6Y194 L195 L200 D207 V208Y194-L203 HydrophobicContact CE1-CD1 3.98Å; L195-L203 HydrophobicContact CD2-CD1 4.17Å; L200-L203 HydrophobicContact CD1-CD2 4.3Å; L203-D207 HydrophobicContact CD2-CB 3.85Å; L203-V208 HydrophobicContact CB-CG2 3.99Å; L203-V208 HydrophobicContact CD1-CG2 4.28Å
204T49.8Very low54.8Low67 Ų6776.2 Ų76.241%0.41140%0.398SS..  trans-78.8168.1161.966.10000110.1D206 D207 V208T204-D206 PolarHBondContact O-N 2.62Å; T204-D206 PolarHBondContact OG1-N 2.85Å; T204-D207 WeakPolarHBondContact CB-OD2 3.36Å; T204-D207 WeakPolarHBondContact CG2-OD2 3.21Å; T204-D207 PolarHBondContact N-OD2 3.32Å; T204-D207 PolarHBondContact O-N 3.2Å; T204-D207 VanDerWaalsContact OG1-CG 3.25Å; T204-D207 PolarHBondContact OG1-N 3.26Å; T204-D207 VanDerWaalsContact OG1-N 3.1Å; T204-D207 PolarHBondContact OG1-OD2 2.69Å; T204-V208 PolarHBondContact O-N 2.8Å
205S49.1Very low52.9Low51 Ų5174.4 Ų74.436%0.35740%0.397SS..Hα-helixtrans-53-45171.3-167.50000110.2D207 V208 D209S205-D207 VanDerWaalsContact C-N 3.3Å; S205-D207 PolarHBondContact O-N 2.88Å; S205-V208 PolarHBondContact O-N 3.48Å; S205-V208 VanDerWaalsContact O-N 3.13Å; S205-D209 PolarHBondContact O-N 2.71Å
206D49.5Very low51Low77 Ų7778 Ų7841%0.41242%0.422SS..Hα-helixtrans-64.1-30.6179.4-50.7-99.1000112.6T204 K210T204-D206 PolarHBondContact O-N 2.62Å; T204-D206 PolarHBondContact OG1-N 2.85Å; D206-K210 WeakPolarHBondContact O-CB 3.43Å; D206-K210 PolarHBondContact O-N 3.27Å
207D54Low49.4Very low67 Ų6781.9 Ų81.936%0.35844%0.436SS..Hα-helixtrans-74.7-35.2172.5-63-61.4000112.5L203 T204 S205 A211L203-D207 HydrophobicContact CD2-CB 3.85Å; T204-D207 WeakPolarHBondContact CB-OD2 3.36Å; T204-D207 WeakPolarHBondContact CG2-OD2 3.21Å; T204-D207 PolarHBondContact N-OD2 3.32Å; T204-D207 PolarHBondContact O-N 3.2Å; T204-D207 VanDerWaalsContact OG1-CG 3.25Å; T204-D207 PolarHBondContact OG1-N 3.26Å; T204-D207 VanDerWaalsContact OG1-N 3.1Å; T204-D207 PolarHBondContact OG1-OD2 2.69Å; S205-D207 VanDerWaalsContact C-N 3.3Å; S205-D207 PolarHBondContact O-N 2.88Å; D207-A211 WeakPolarHBondContact O-CB 3.34Å; D207-A211 PolarHBondContact O-N 3.06Å
208V56.6Low48.4Very low29 Ų2979.2 Ų79.218%0.17643%0.426CS..Hα-helixtrans-65.7-50.9172.7-178.80000109.7L203 T204 S205 K210 A211 L212L203-V208 HydrophobicContact CB-CG2 3.99Å; L203-V208 HydrophobicContact CD1-CG2 4.28Å; T204-V208 PolarHBondContact O-N 2.8Å; S205-V208 PolarHBondContact O-N 3.48Å; S205-V208 VanDerWaalsContact O-N 3.13Å; V208-K210 VanDerWaalsContact C-N 3.31Å; V208-K210 PolarHBondContact O-N 3.47Å; V208-A211 PolarHBondContact O-N 3.42Å; V208-L212 HydrophobicContact CG1-CD1 3.94Å; V208-L212 HydrophobicContact CG1-CG 4.45Å; V208-L212 WeakPolarHBondContact O-CB 3.48Å; V208-L212 VanDerWaalsContact O-CG 3.26Å; V208-L212 WeakPolarHBondContact O-CG 3.37Å; V208-L212 PolarHBondContact O-N 3.05Å
209D55.7Low47.6Very low75 Ų7582.9 Ų82.940%0.40144%0.443SS..Hα-helixtrans-54.4-47173.9-86.1-66.5000111.5S205 L212 Q213S205-D209 PolarHBondContact O-N 2.71Å; D209-L212 PolarHBondContact O-N 2.71Å; D209-Q213 WeakPolarHBondContact O-CB 3.25Å; D209-Q213 WeakPolarHBondContact O-CG 3.26Å; D209-Q213 PolarHBondContact O-N 3.46Å
210K55.7Low47.2Very low131 Ų13183.8 Ų83.857%0.5744%0.437SS*.Hα-helixtrans-70.7-32.7-179.1-171.5176-177.2-176.80112.8D206 V208 N214D206-K210 WeakPolarHBondContact O-CB 3.43Å; D206-K210 PolarHBondContact O-N 3.27Å; V208-K210 VanDerWaalsContact C-N 3.31Å; V208-K210 PolarHBondContact O-N 3.47Å; K210-N214 WeakPolarHBondContact CG-ND2 3.46Å; K210-N214 VanDerWaalsContact O-CB 3.27Å; K210-N214 WeakPolarHBondContact O-CB 3.3Å; K210-N214 PolarHBondContact O-N 3.46Å; K210-N214 PolarHBondContact O-ND2 3.34Å
211A51.7Low47.1Very low33 Ų3382.2 Ų82.227%0.27344%0.437SS..Hα-helixtrans-71.7-37.6172.800000112.1Y194 D207 V208 S215Y194-A211 WeakPolarHBondContact OH-CB 3.41Å; D207-A211 WeakPolarHBondContact O-CB 3.34Å; D207-A211 PolarHBondContact O-N 3.06Å; V208-A211 PolarHBondContact O-N 3.42Å; A211-S215 WeakPolarHBondContact O-CB 3.22Å; A211-S215 PolarHBondContact O-N 3.2Å
212L53Low47.3Very low55 Ų5589.7 Ų89.729%0.28846%0.456SS..Hα-helixtrans-66.2-38.3172.9-69.6171.1000111.7V208 D209 L218V208-L212 HydrophobicContact CG1-CD1 3.94Å; V208-L212 HydrophobicContact CG1-CG 4.45Å; V208-L212 WeakPolarHBondContact O-CB 3.48Å; V208-L212 VanDerWaalsContact O-CG 3.26Å; V208-L212 WeakPolarHBondContact O-CG 3.37Å; V208-L212 PolarHBondContact O-N 3.05Å; D209-L212 PolarHBondContact O-N 2.71Å; L212-L218 HydrophobicContact CD2-CD1 3.99Å
213Q53.6Low47.2Very low126 Ų12694.8 Ų94.859%0.58949%0.485SS*.Hα-helixtrans-71.2-39.7174.8-72.1169.620.900113D209 S215D209-Q213 WeakPolarHBondContact O-CB 3.25Å; D209-Q213 WeakPolarHBondContact O-CG 3.26Å; D209-Q213 PolarHBondContact O-N 3.46Å; Q213-S215 VanDerWaalsContact C-N 3.29Å; Q213-S215 PolarHBondContact O-N 3.11Å
214N46.4Very low47Very low120 Ų12096.8 Ų96.864%0.64250%0.499SS*.THydrogen-bonded Turntrans-90.720.7-179.4-68.4-85.7000113.5K210 P216K210-N214 WeakPolarHBondContact CG-ND2 3.46Å; K210-N214 VanDerWaalsContact O-CB 3.27Å; K210-N214 WeakPolarHBondContact O-CB 3.3Å; K210-N214 PolarHBondContact O-N 3.46Å; K210-N214 PolarHBondContact O-ND2 3.34Å; N214-P216 WeakPolarHBondContact O-CD 3.48Å
215S40.3Very low46.1Very low39 Ų3998 Ų9827%0.27353%0.525SS..  trans-107.598.3169.4-176.80000110.9A211 Q213 R217 L218A211-S215 WeakPolarHBondContact O-CB 3.22Å; A211-S215 PolarHBondContact O-N 3.2Å; Q213-S215 VanDerWaalsContact C-N 3.29Å; Q213-S215 PolarHBondContact O-N 3.11Å; S215-R217 PolarHBondContact O-N 3.43Å; S215-L218 PolarHBondContact O-N 3.27Å; S215-L218 VanDerWaalsContact O-N 3.11Å
216P41.8Very low45.1Very low101 Ų10199.2 Ų99.266%0.65655%0.546SS*.THydrogen-bonded Turntrans-59-13.1177-25.134.8000114.3N214 H220N214-P216 WeakPolarHBondContact O-CD 3.48Å; P216-H220 PolarHBondContact O-CE1 3.47Å; P216-H220 PolarHBondContact O-ND1 2.75Å
217R44.3Very low44.2Very low212 Ų21299.6 Ų99.680%0.856%0.56SS**THydrogen-bonded Turntrans-90.2-13-179.6-75.2-176.2155.3147.7-3.5114.7S215S215-R217 PolarHBondContact O-N 3.43Å
218L45Very low43.2Very low82 Ų82100.9 Ų100.943%0.42958%0.579SS.*THydrogen-bonded Turntrans-102.2-30178.3-115.6156.4000113.1L212 S215 H220 A221L212-L218 HydrophobicContact CD2-CD1 3.99Å; S215-L218 PolarHBondContact O-N 3.27Å; S215-L218 VanDerWaalsContact O-N 3.11Å; L218-H220 PolarHBondContact O-N 3.48Å; L218-H220 VanDerWaalsContact O-N 3.13Å; L218-A221 PolarHBondContact O-N 2.74Å; L218-A221 VanDerWaalsContact O-N 3.15Å
219M37.9Very low41.9Very low103 Ų103105.9 Ų105.951%0.50760%0.599SS.*G310 helixtrans-51-35.2172.8-74.8-79.1113.300113.7A221 R222M219-A221 PolarHBondContact O-N 3.49Å; M219-R222 PolarHBondContact O-N 2.94Å
220H39.6Very low40.8Very low136 Ų136109.9 Ų109.963%0.6362%0.619SS**G310 helixtrans-71.1-25.2-177-71.891.5000114.2P216 L218 R222 T224P216-H220 PolarHBondContact O-CE1 3.47Å; P216-H220 PolarHBondContact O-ND1 2.75Å; L218-H220 PolarHBondContact O-N 3.48Å; L218-H220 VanDerWaalsContact O-N 3.13Å; H220-R222 VanDerWaalsContact C-N 3.33Å; H220-R222 PolarHBondContact O-N 3.26Å; H220-T224 PolarHBondContact O-OG1 3.49Å
221A42.3Very low39.6Very low61 Ų61110.8 Ų110.850%0.50462%0.623SS.*G310 helixtrans-73.3-25.2178.600000112.9L218 M219 N223L218-A221 PolarHBondContact O-N 2.74Å; L218-A221 VanDerWaalsContact O-N 3.15Å; M219-A221 PolarHBondContact O-N 3.49Å; A221-N223 PolarHBondContact O-N 3.38Å
222R40.5Very low38.7Very low228 Ų228114.8 Ų114.886%0.8665%0.646SS**G310 helixtrans-83.3-7.5-173.1-170165.1173146.8-2.7114.4M219 H220M219-R222 PolarHBondContact O-N 2.94Å; H220-R222 VanDerWaalsContact C-N 3.33Å; H220-R222 PolarHBondContact O-N 3.26Å
223N40.3Very low37.6Very low151 Ų151119.4 Ų119.481%0.80767%0.671SS**THydrogen-bonded Turntrans-134.8-0.8-175.8-154.634.8000115.3A221A221-N223 PolarHBondContact O-N 3.38Å
224T40.3Very low36.7Very low88 Ų88119 Ų11954%0.5468%0.678SS.*SBendtrans-138.6116.8172.1420000110.3H220 G226H220-T224 PolarHBondContact O-OG1 3.49Å; T224-G226 PolarHBondContact O-N 3.5Å; T224-G226 VanDerWaalsContact O-N 3.16Å
225G29.7Very low36.1Very low92 Ų92118.9 Ų118.995%0.94869%0.686SS**SBendtrans-70.7106.4179.200000112
226G29.2Very low35.7Very low78 Ų78123 Ų12380%0.80471%0.709SS**  trans100.997.1171.600000114.8T224T224-G226 PolarHBondContact O-N 3.5Å; T224-G226 VanDerWaalsContact O-N 3.16Å
227A30.7Very low35.2Very low85 Ų85129 Ų12970%0.70272%0.721SS**  trans-146.5133.7159.500000108.8
228A32Very low34.8Very low93 Ų93125 Ų12577%0.76972%0.722SS**  trans-85.9134.1-176.700000111.9I230A228-I230 PolarHBondContact O-N 2.92Å
229F30.1Very low34.3Very low135 Ų135130.8 Ų130.859%0.59275%0.747SS**  trans-79.4114171.7-65.9-77.5000110.5F231F229-F231 HydrophobicContact CB-CD2 4.4Å; F229-F231 HydrophobicContact CB-CE2 3.91Å
230I33Very low34.3Very low158 Ų158129.8 Ų129.881%0.8175%0.754SS**  trans-97.5112.7172.1-58.7176.7000108.3A228A228-I230 PolarHBondContact O-N 2.92Å
231F30Very low34.2Very low151 Ų151129.1 Ų129.166%0.66276%0.76SS**  trans-95.8125.2173.3-71-85.8000110.7F229 N233F229-F231 HydrophobicContact CB-CD2 4.4Å; F229-F231 HydrophobicContact CB-CE2 3.91Å; F231-N233 PolarHBondContact O-N 3.39Å
232P32.6Very low34Very low117 Ų117134.6 Ų134.676%0.7678%0.775SS**  trans-73.4111.6166.430-30.9000109
233N30.2Very low33.6Very low152 Ų152135.1 Ų135.181%0.81378%0.777SS**  trans-93.2104.6-174-169.95.8000110.9F231F231-N233 PolarHBondContact O-N 3.39Å
234T34.7Very low33.5Very low118 Ų118135.8 Ų135.872%0.72478%0.779SS**  trans-13695.7176.157.40000111.3
235S33.3Very low33.4Very low117 Ų117136.8 Ų136.882%0.81879%0.785SS**  trans-72.8136.5168.348.20000110.8
236V32.5Very low33.9Very low124 Ų124139.5 Ų139.575%0.75278%0.783SS**  trans-127.581.6178.4-173.90000110
237Y32.2Very low34.4Very low229 Ų229146.4 Ų146.490%0.89879%0.785SS**  trans-146.4121.1156.9-106.5-79.7000108.8
238P35.2Very low35.2Very low127 Ų127147.4 Ų147.483%0.82579%0.785SS**  trans-91.1116.9-178.433.1-31000111.6
239E33.3Very low35.7Very low204 Ų204149.2 Ų149.295%0.95378%0.781SS**  trans-122162.2161.4-147.8-177.6126.400110.6
240A38.1Very low37.1Very low81 Ų81149.9 Ų149.967%0.66979%0.79SS**  trans-115.7127.8-145.400000115.5
241T38.4Very low37.9Very low123 Ų123147.7 Ų147.776%0.75579%0.786SS**  trans82.5142.4145.2-32.60000118.7
242Q38.4Very low38.6Very low176 Ų176150.5 Ų150.582%0.82279%0.794SS**  trans77.896.6168.6-42.3-167.440.500115.1
243R32.7Very low39.6Very low239 Ų239152.1 Ų152.190%0.90279%0.791SS**  86.8154.664.3-86.5-169169.1171.2-1.4114.3
244I38Very low40.7Very low165 Ų165149.4 Ų149.485%0.84678%0.782SS**  trans84.4132.8174-61.2167.3000113.4
245T37.4Very low41.5Very low109 Ų109149 Ų14967%0.66978%0.782SS**  cis-171.1148.1-13-97.30000110.4
246T40.2Very low42.1Very low148 Ų148153.5 Ų153.591%0.90878%0.781SS**  trans-156157.9138.713.40000113.1
247R38.9Very low42.7Very low224 Ų224157 Ų15785%0.84578%0.781SS**  trans-100.8-173.9-167.3-111-177.1162.1168.9-6.3112.3
248P47.8Very low43.5Very low106 Ų106150.9 Ų150.969%0.68877%0.771SS**  cis-123.6166.811.441.8-25.3000114.9
249D42.7Very low44Very low130 Ų130148.9 Ų148.970%0.69577%0.765SS**  -162.1-169.475.4-125.7-49.9000116.5
250L59.8Low44.6Very low149 Ų149150.1 Ų150.178%0.7876%0.761SS**  trans-87.1-179.7-163.9-73.6156.4000117.1
251P50Low45.3Very low112 Ų112151.7 Ų151.773%0.72776%0.763SS**  cis-137.6174.1-38.837.6-20.9000115.6
252Y44.2Very low45.5Very low210 Ų210148.8 Ų148.882%0.82476%0.757SS**  159.8110.5124.4-170.3-103.1000115.7
253E52.7Low45.9Very low151 Ų151149.6 Ų149.671%0.70676%0.761SS**  trans47.7156.2148-74.7-72.290.200124.1
254P53.9Low46.4Very low96 Ų96141.8 Ų141.862%0.62376%0.755SS**  trans-142.9-119.6-135.934.3-5.4000115.9
255P52.1Low46.7Very low109 Ų109143.3 Ų143.371%0.70876%0.758SS**  -116.1-176.5-93.732.8-13.7000114.5
256R45.3Very low47.6Very low211 Ų211143 Ų14380%0.79676%0.757SS**  trans147.9144.2149.7-67.8-128.4-154.5-1484.2107.2
257R45.4Very low47.9Very low199 Ų199142.7 Ų142.775%0.75176%0.755SS**  cis-154.5170.53.1-121.7177.4-160.8-9011.3110
258S48Very low48.5Very low100 Ų100137.4 Ų137.470%0.69975%0.75SS**  trans-27.3165.2156.2-34.50000116.8
259A45.8Very low48.4Very low85 Ų85141.2 Ų141.270%0.70276%0.759SS**  cis-167.4-178.324.100000109.3
260W47.3Very low48.6Very low229 Ų229139.5 Ų139.587%0.86776%0.757SS**  cis-169.2172-13.9-119.411000110.6
261T51.3Low47.9Very low115 Ų115141.7 Ų141.771%0.70676%0.76SS**  trans23.9147.7150.961.30000123.3
262G43.6Very low47.7Very low62 Ų62141.1 Ų141.164%0.63977%0.765SS**  cis157.7173.8-1.400000113.9
263H47.4Very low47.7Very low193 Ų193136 Ų13689%0.89477%0.766SS**  trans46.1149.1154.8-48.5-49.9000122.1
264G43.1Very low47.2Very low75 Ų75137.2 Ų137.277%0.77377%0.772SS**  cis-169.3-161.410.200000115.8
265H44.6Very low46.8Very low197 Ų197137.7 Ų137.791%0.91278%0.775SS**  trans-96.3178.2-160.5-124.9-132.1000115
266P54.4Low46.4Very low101 Ų101137.3 Ų137.366%0.65678%0.775SS**  trans-109.6-174-165.743.5-36.7000115.3
267T47.9Very low46.1Very low142 Ų142133.5 Ų133.587%0.87178%0.777SS**  trans-151.8164.7166.429.70000114.5
268P51.4Low46.1Very low113 Ų113129.6 Ų129.673%0.73478%0.78SS**  trans-130.3-165.4-166.442.9-25.7000117
269Q45.3Very low45.6Very low187 Ų187131.6 Ų131.687%0.87479%0.788SS**  trans90.9137176.1-52.3-173.80.400115.5
270S46.7Very low45.8Very low93 Ų93133.5 Ų133.565%0.6579%0.791SS**  cis-176.5155.748.9-163.40000113.4
271K44.9Very low45.5Very low196 Ų196128 Ų12885%0.85279%0.785SS**  trans37.5122.9155.9-66.2170.2-179.5178.60121.9
272A45.8Very low44.7Very low99 Ų99131.8 Ų131.882%0.81879%0.792SS**  165147.595.700000115.6
273A45.8Very low44.4Very low103 Ų103135 Ų13585%0.85180%0.799SS**  trans58.5137.7153.200000123.4
274Q42.4Very low43.8Very low177 Ų177133 Ų13383%0.82779%0.79SS**  trans-92178.3163.4-81.4-85.9-33.700109.6
275P43.6Very low43.5Very low106 Ų106136.8 Ų136.869%0.68879%0.792SS**  cis-139.6-173.71341.9-22.6000117.3
276S45.2Very low42.8Very low101 Ų101135.2 Ų135.271%0.70679%0.786SS**  trans110.1132.7152.5-55.60000116.9
277P39.4Very low41.8Very low130 Ų130139.6 Ų139.684%0.84479%0.789SS**  trans-89.2136.1179.834.8-32.9000112.7
278S44.5Very low41.4Very low118 Ų118138 Ų13883%0.82578%0.781SS**  trans-113.4130.6169.1-72.90000110.8V280S278-V280 PolarHBondContact O-N 3Å
279T38.2Very low40.7Very low141 Ų141140 Ų14087%0.86578%0.781SS**PPolyproline II helixtrans-62.2122.7-178.3-51.40000112
280V48.4Very low40.7Very low126 Ų126137.1 Ų137.176%0.76477%0.771SS**PPolyproline II helixtrans-87.2135.5164.3-80.40000110.3S278S278-V280 PolarHBondContact O-N 3Å
281P41.6Very low40.8Very low113 Ų113135 Ų13573%0.73475%0.752SS**PPolyproline II helixtrans-69.8136.117629.9-34000110T283P281-T283 PolarHBondContact O-N 3Å
282K35.2Very low40.9Very low195 Ų195127.5 Ų127.585%0.84872%0.723SS**  trans-85.493.4178.2-157.1-177.9-172.8-170.10108.8E284K282-E284 PolarHBondContact O-N 3.38Å
283T37.7Very low41.4Very low129 Ų129123.1 Ų123.179%0.79169%0.686SS**  trans-61.8118.5172.4-52.80000108.7P281P281-T283 PolarHBondContact O-N 3Å
284E34.5Very low41.9Very low151 Ų151124 Ų12471%0.70667%0.672SS**  trans-92.3107.9-173.4-158.3161.4116.400109.8K282 Q286K282-E284 PolarHBondContact O-N 3.38Å; E284-Q286 VanDerWaalsContact C-N 3.34Å; E284-Q286 PolarHBondContact O-N 3.3Å
285D35.7Very low42.5Very low154 Ų154120.1 Ų120.182%0.82466%0.656SS**  trans-73.483.1-172.9-130.7-55.8000110.8R287D285-R287 PolarHBondContact O-N 3.36Å
286Q31.1Very low43.3Very low165 Ų165116.7 Ų116.777%0.77163%0.632SS**  trans-72.566.8179.9-67.9-17511.500111.8E284E284-Q286 VanDerWaalsContact C-N 3.34Å; E284-Q286 PolarHBondContact O-N 3.3Å
287R33.7Very low44Very low192 Ų192112 Ų11273%0.72560%0.599SS**  trans-55.5128.8163.4-176.7-177.4-177.989.74.9108D285 Q289D285-R287 PolarHBondContact O-N 3.36Å; R287-Q289 PolarHBondContact O-N 2.73Å
288P37.7Very low44.9Very low110 Ų110108.1 Ų108.171%0.71457%0.574SS**  trans-60.8116.9-176.523.5-33.4000110.3L290P288-L290 PolarHBondContact O-N 2.88Å; P288-L290 VanDerWaalsContact O-N 3.13Å
289Q36.9Very low45.5Very low155 Ų155103.6 Ų103.672%0.72454%0.541SS*.  trans-63.2112.1169.3178.8-178.6-13.400107.5R287 D291R287-Q289 PolarHBondContact O-N 2.73Å; Q289-D291 PolarHBondContact O-N 2.91Å
290L45.4Very low46.4Very low125 Ų12597 Ų9765%0.65450%0.501SS*.  trans-65.2109.3170.8-71.6177.8000107.8P288P288-L290 PolarHBondContact O-N 2.88Å; P288-L290 VanDerWaalsContact O-N 3.13Å
291D48.8Very low46.6Very low49 Ų4992.9 Ų92.926%0.26248%0.478SS..  trans-72.1126.3-168.4-167.823.6000110Q289 Y293 Q294Q289-D291 PolarHBondContact O-N 2.91Å; D291-Y293 PolarHBondContact O-N 2.71Å; D291-Y293 VanDerWaalsContact OD1-CD2 3.3Å; D291-Y293 WeakPolarHBondContact OD1-CD2 3.14Å; D291-Y293 WeakPolarHBondContact OD2-CD2 3.29Å; D291-Q294 HydrophobicContact CB-CG 4.4Å; D291-Q294 PolarHBondContact O-N 3.01Å
292P47Very low47.4Very low38 Ų3893.5 Ų93.525%0.24747%0.465CS..Hα-helixtrans-54.1-23.5-176.1-30.538.2000114.2I295 F392P292-I295 WeakPolarHBondContact O-CB 3.31Å; P292-I295 PolarHBondContact O-N 3.05Å; P292-F392 HydrophobicContact CB-CE2 4.38Å; P292-F392 HydrophobicContact CB-CZ 4.43Å
293Y57.8Low48.4Very low8 Ų888 Ų883%0.03145%0.445CS..Hα-helixtrans-65.9-35.1175.1-59.4-63.8000114.1D291 I295 L296 G297 W332 N336 G337 F392D291-Y293 PolarHBondContact O-N 2.71Å; D291-Y293 VanDerWaalsContact OD1-CD2 3.3Å; D291-Y293 WeakPolarHBondContact OD1-CD2 3.14Å; D291-Y293 WeakPolarHBondContact OD2-CD2 3.29Å; Y293-I295 PolarHBondContact O-N 3.46Å; Y293-L296 PolarHBondContact O-N 3.07Å; Y293-L296 VanDerWaalsContact O-N 3.16Å; Y293-G297 PolarHBondContact O-N 3.27Å; Y293-W332 VanDerWaalsContact CB-CE2 3.44Å; Y293-W332 HydrophobicContact CD1-CD2 4.06Å; Y293-W332 AromaticContact CD1-CE2 3.98Å; Y293-W332 AromaticContact CD1-CE3 3.69Å; Y293-W332 HydrophobicContact CD1-CE3 3.69Å; Y293-W332 AromaticContact CD1-CH2 3.23Å; Y293-W332 HydrophobicContact CD1-CH2 3.23Å; Y293-W332 AromaticContact CD1-CZ2 3.59Å; Y293-W332 HydrophobicContact CD1-CZ2 3.59Å; Y293-W332 AromaticContact CD1-CZ3 3.27Å; Y293-W332 HydrophobicContact CD1-CZ3 3.27Å; Y293-W332 HydrophobicContact CD2-CD2 4.42Å; Y293-W332 HydrophobicContact CD2-CE3 4.36Å; Y293-W332 HydrophobicContact CE1-CE3 4.33Å; Y293-W332 HydrophobicContact CE1-CH2 4.07Å; Y293-W332 AromaticContact CE1-CZ3 3.82Å; Y293-W332 HydrophobicContact CE1-CZ3 3.82Å; Y293-W332 AromaticContact CG-CD2 3.76Å; Y293-W332 HydrophobicContact CG-CD2 3.76Å; Y293-W332 AromaticContact CG-CE2 3.75Å; Y293-W332 AromaticContact CG-CE3 3.77Å; Y293-W332 HydrophobicContact CG-CE3 3.77Å; Y293-W332 HydrophobicContact CG-CG 4.49Å; Y293-W332 AromaticContact CG-CH2 3.9Å; Y293-W332 HydrophobicContact CG-CH2 3.9Å; Y293-W332 AromaticContact CG-CZ2 3.83Å; Y293-W332 HydrophobicContact CG-CZ2 3.83Å; Y293-W332 AromaticContact CG-CZ3 3.86Å; Y293-W332 HydrophobicContact CG-CZ3 3.86Å; Y293-N336 WeakPolarHBondContact OH-CA 3.45Å; Y293-N336 PolarHBondContact OH-ND2 3.01Å; Y293-N336 VanDerWaalsContact OH-ND2 3.07Å; Y293-N336 PolarHBondContact OH-OD1 3.1Å; Y293-N336 VanDerWaalsContact OH-OD1 3.12Å; Y293-G337 WeakPolarHBondContact OH-CA 3.33Å; Y293-G337 PolarHBondContact OH-N 3.4Å; Y293-F392 HydrophobicContact CD1-CE1 4.35Å; Y293-F392 HydrophobicContact CD1-CZ 4.06Å; Y293-F392 AromaticContact CE1-CE1 3.56Å; Y293-F392 HydrophobicContact CE1-CE1 3.56Å; Y293-F392 HydrophobicContact CE1-CE2 4.2Å; Y293-F392 AromaticContact CE1-CZ 3.16Å; Y293-F392 HydrophobicContact CE1-CZ 3.16Å; Y293-F392 AromaticContact CZ-CZ 3.39Å; Y293-F392 WeakPolarHBondContact OH-CE2 3.31Å; Y293-F392 WeakPolarHBondContact OH-CZ 3.34Å
294Q54.3Low49.3Very low122 Ų12282.1 Ų82.157%0.5741%0.409SS*.Hα-helixtrans-69.5-17.8176.3-66.9-179.156.500112.6D291 P298D291-Q294 HydrophobicContact CB-CG 4.4Å; D291-Q294 PolarHBondContact O-N 3.01Å; Q294-P298 WeakPolarHBondContact O-CD 3.47Å; Q294-P298 WeakPolarHBondContact O-CG 3.41Å
295I56.3Low50.3Low94 Ų9480.8 Ų80.848%0.48241%0.407SS..Hα-helixtrans-80-34.1173.5-51.8178.9000110.5H202 P292 Y293 T299H202-I295 PolarHBondContact CE1-O 3.33Å; P292-I295 WeakPolarHBondContact O-CB 3.31Å; P292-I295 PolarHBondContact O-N 3.05Å; Y293-I295 PolarHBondContact O-N 3.46Å; I295-T299 PolarHBondContact O-OG1 3.49Å
296L59.8Low51.3Low35 Ų3578.7 Ų78.718%0.18340%0.402CS..Hα-helixtrans-90.2-22.5-174.3-69.4170.6000114.2Y293 T299 S300 F392Y293-L296 PolarHBondContact O-N 3.07Å; Y293-L296 VanDerWaalsContact O-N 3.16Å; L296-T299 WeakPolarHBondContact O-CB 3.28Å; L296-T299 PolarHBondContact O-N 3.2Å; L296-S300 WeakPolarHBondContact O-CB 3.37Å; L296-S300 PolarHBondContact O-N 3.08Å; L296-F392 HydrophobicContact CD1-CD1 3.66Å; L296-F392 HydrophobicContact CD1-CE1 3.1Å; L296-F392 HydrophobicContact CD1-CE2 4.43Å; L296-F392 HydrophobicContact CD1-CG 4.49Å; L296-F392 HydrophobicContact CD1-CZ 3.51Å
297G59.4Low52.5Low1 Ų173.6 Ų73.61%0.0139%0.394CS..Hα-helixtrans-56.1-57.6170.700000113.4Y293 T299 S300 S301Y293-G297 PolarHBondContact O-N 3.27Å; G297-T299 VanDerWaalsContact C-N 3.26Å; G297-T299 PolarHBondContact O-N 3.27Å; G297-S300 WeakPolarHBondContact O-CB 3.42Å; G297-S300 PolarHBondContact O-N 2.74Å; G297-S300 VanDerWaalsContact O-N 3.11Å; G297-S301 PolarHBondContact O-N 3.1Å; G297-S301 VanDerWaalsContact O-N 3.16Å; G297-S301 PolarHBondContact O-OG 3.04Å
298P58.6Low54.1Low49 Ų4966 Ų6632%0.31837%0.37SS..Hα-helixtrans-65.4-25175.2-21.433.5000114Q294 S301 R302Q294-P298 WeakPolarHBondContact O-CD 3.47Å; Q294-P298 WeakPolarHBondContact O-CG 3.41Å; P298-S301 PolarHBondContact O-OG 3.28Å; P298-R302 WeakPolarHBondContact O-CD 3.45Å; P298-R302 VanDerWaalsContact O-CG 3.29Å; P298-R302 WeakPolarHBondContact O-CG 3Å
299T58.1Low55.7Low24 Ų2463 Ų6315%0.14736%0.359CS..Hα-helixtrans-65.8-47.5170-61.20000109.8H202 I295 L296 G297 S301 R302 L303H202-T299 PolarHBondContact ND1-OG1 3.36Å; I295-T299 PolarHBondContact O-OG1 3.49Å; L296-T299 WeakPolarHBondContact O-CB 3.28Å; L296-T299 PolarHBondContact O-N 3.2Å; G297-T299 VanDerWaalsContact C-N 3.26Å; G297-T299 PolarHBondContact O-N 3.27Å; T299-S301 PolarHBondContact O-N 3.06Å; T299-R302 PolarHBondContact O-N 3.35Å; T299-L303 HydrophobicContact CG2-CD1 3.79Å; T299-L303 WeakPolarHBondContact O-CD1 3.18Å; T299-L303 WeakPolarHBondContact O-CG 3.49Å; T299-L303 PolarHBondContact O-N 2.92Å
300S56.4Low57.9Low1 Ų164 Ų641%0.00736%0.364CS..Hα-helixtrans-60.5-46-179.4-165.60000113.6L296 G297 R302 L303 A304 Q315 L318L296-S300 WeakPolarHBondContact O-CB 3.37Å; L296-S300 PolarHBondContact O-N 3.08Å; G297-S300 WeakPolarHBondContact O-CB 3.42Å; G297-S300 PolarHBondContact O-N 2.74Å; G297-S300 VanDerWaalsContact O-N 3.11Å; S300-R302 PolarHBondContact O-N 2.79Å; S300-R302 VanDerWaalsContact O-N 3.11Å; S300-L303 PolarHBondContact O-N 3.19Å; S300-A304 PolarHBondContact O-N 3.29Å; S300-Q315 VanDerWaalsContact OG-C 3.24Å; S300-Q315 WeakPolarHBondContact OG-CA 3.48Å; S300-Q315 WeakPolarHBondContact OG-CB 3.46Å; S300-Q315 PolarHBondContact OG-O 3.34Å; S300-L318 WeakPolarHBondContact OG-CB 3.43Å
301S52.8Low59.9Low40 Ų4058.1 Ų58.128%0.2833%0.333SS..Hα-helixtrans-70.3-3.1-178.7600000114.8G297 P298 T299G297-S301 PolarHBondContact O-N 3.1Å; G297-S301 VanDerWaalsContact O-N 3.16Å; G297-S301 PolarHBondContact O-OG 3.04Å; P298-S301 PolarHBondContact O-OG 3.28Å; T299-S301 PolarHBondContact O-N 3.06Å
302R57.2Low62Low127 Ų12760 Ų6048%0.47934%0.34SS..Hα-helixtrans-99.3-31.7171.2-67.9169.7174.9-157.26.6113.6P201 H202 P298 T299 S300 A304P201-R302 PolarHBondContact O-NH1 2.98Å; P201-R302 PolarHBondContact O-NH2 2.91Å; H202-R302 PolarHBondContact O-NH1 3.18Å; P298-R302 WeakPolarHBondContact O-CD 3.45Å; P298-R302 VanDerWaalsContact O-CG 3.29Å; P298-R302 WeakPolarHBondContact O-CG 3Å; T299-R302 PolarHBondContact O-N 3.35Å; S300-R302 PolarHBondContact O-N 2.79Å; S300-R302 VanDerWaalsContact O-N 3.11Å; R302-A304 VanDerWaalsContact C-N 3.29Å
303L58Low64.3Low79 Ų7958.4 Ų58.441%0.41433%0.33SS..Hα-helixtrans-79.3-16.7-176.5-64.2152.2000113T299 S300 W314 Q315 L399T299-L303 HydrophobicContact CG2-CD1 3.79Å; T299-L303 WeakPolarHBondContact O-CD1 3.18Å; T299-L303 WeakPolarHBondContact O-CG 3.49Å; T299-L303 PolarHBondContact O-N 2.92Å; S300-L303 PolarHBondContact O-N 3.19Å; L303-W314 HydrophobicContact CD1-CH2 4.48Å; L303-Q315 VanDerWaalsContact CB-NE2 3.3Å; L303-Q315 PolarHBondContact O-NE2 3.35Å; L303-L399 HydrophobicContact CD1-CD2 3.11Å; L303-L399 HydrophobicContact CD2-CD2 3.89Å; L303-L399 HydrophobicContact CG-CD2 4.13Å
304A55.4Low66Low6 Ų658.1 Ų58.15%0.0533%0.329CS..SBendtrans-111.4128.7159.600000107.8S300 R302 P306 I311S300-A304 PolarHBondContact O-N 3.29Å; R302-A304 VanDerWaalsContact C-N 3.29Å; A304-P306 WeakPolarHBondContact O-CD 3.05Å; A304-P306 VanDerWaalsContact O-N 3.16Å; A304-I311 HydrophobicContact CB-CB 3.63Å; A304-I311 HydrophobicContact CB-CD1 3.63Å; A304-I311 HydrophobicContact CB-CG1 3.47Å; A304-I311 VanDerWaalsContact CB-CG1 3.47Å
305N56.1Low67.8Low122 Ų12252.9 Ų52.965%0.65230%0.304SS*.  trans-52.5124169.8-68.4-7.6000108.1G307 S308N305-G307 PolarHBondContact O-N 2.79Å; N305-S308 WeakPolarHBondContact O-CB 3.5Å; N305-S308 PolarHBondContact O-N 3.12Å; N305-S308 PolarHBondContact O-OG 2.93Å
306P55.9Low69.5Low110 Ų11048.5 Ų48.571%0.71428%0.282SS*.THydrogen-bonded Turntrans-52.7130.9-175.5-31.436.7000112.5A304 S308A304-P306 WeakPolarHBondContact O-CD 3.05Å; A304-P306 VanDerWaalsContact O-N 3.16Å; P306-S308 PolarHBondContact O-N 3.24Å
307G57.8Low71.2Confident59 Ų5946.9 Ų46.961%0.60827%0.273SS*.THydrogen-bonded Turntrans75.2-6.1-175.600000116N305N305-G307 PolarHBondContact O-N 2.79Å
308S65.5Low72.8Confident31 Ų3147 Ų4722%0.21727%0.274CS..  trans-69.2135.7-178.468.80000113.2N305 P306 Q310 I311N305-S308 WeakPolarHBondContact O-CB 3.5Å; N305-S308 PolarHBondContact O-N 3.12Å; N305-S308 PolarHBondContact O-OG 2.93Å; P306-S308 PolarHBondContact O-N 3.24Å; S308-Q310 PolarHBondContact O-N 3.17Å; S308-I311 WeakPolarHBondContact O-CG2 3.48Å; S308-I311 PolarHBondContact O-N 2.9Å
309G71.3Confident74.3Confident48 Ų4846.4 Ų46.450%0.49527%0.267SS..THydrogen-bonded Turntrans-66.7-1.6174.100000114.6K355G309-K355 WeakPolarHBondContact O-CD 3.37Å; G309-K355 VanDerWaalsContact O-CE 3.32Å; G309-K355 WeakPolarHBondContact O-CE 3.48Å; G309-K355 PolarHBondContact O-NZ 3.08Å
310Q82.9Confident76Confident175 Ų17545.8 Ų45.882%0.81826%0.262SS*.THydrogen-bonded Turntrans-88.5-17.2-179-167.3161.2-11.200113.6S308 K355S308-Q310 PolarHBondContact O-N 3.17Å; Q310-K355 PolarHBondContact O-NZ 3.46Å
311I88.6Confident77.7Confident3 Ų346.3 Ų46.32%0.01527%0.265CS..  trans-45.2138.1178.8-172.1164.4000114.5A304 S308 Q315 F316 E319 W351 R354 K355A304-I311 HydrophobicContact CB-CB 3.63Å; A304-I311 HydrophobicContact CB-CD1 3.63Å; A304-I311 HydrophobicContact CB-CG1 3.47Å; A304-I311 VanDerWaalsContact CB-CG1 3.47Å; S308-I311 WeakPolarHBondContact O-CG2 3.48Å; S308-I311 PolarHBondContact O-N 2.9Å; I311-Q315 HydrophobicContact CD1-CB 4.16Å; I311-Q315 HydrophobicContact CG1-CB 3.76Å; I311-F316 HydrophobicContact CD1-CB 3.9Å; I311-F316 HydrophobicContact CG1-CB 4.15Å; I311-E319 WeakPolarHBondContact CD1-OE2 3.48Å; I311-W351 HydrophobicContact CG2-CZ3 4.18Å; I311-W351 WeakPolarHBondContact O-CH2 3.33Å; I311-R354 HydrophobicContact CG2-CG 3.53Å; I311-K355 HydrophobicContact CG2-CD 4.17Å; I311-K355 PolarHBondContact O-NZ 2.92Å
312Q91.9Very high79.4Confident88 Ų8846.9 Ų46.941%0.41127%0.269SS..  trans-80.9155.6174.1-58.6-171.350.700111.6W314 Q315 F316Q312-W314 PolarHBondContact O-N 2.95Å; Q312-Q315 HydrophobicContact CB-CG 4.18Å; Q312-Q315 WeakPolarHBondContact O-CB 3.48Å; Q312-Q315 PolarHBondContact O-N 2.73Å; Q312-F316 PolarHBondContact O-N 3.16Å
313L95.2Very high80.8Confident4 Ų444.3 Ų44.32%0.02127%0.265CS..Hα-helixtrans-63.2-39.5-177.9175.759.6000112.3Q315 F316 L317 W351 L365 A368 L369 Y372L313-Q315 VanDerWaalsContact C-N 3.32Å; L313-Q315 PolarHBondContact O-N 2.88Å; L313-F316 HydrophobicContact CD1-CD1 4.18Å; L313-F316 PolarHBondContact O-N 3.35Å; L313-L317 HydrophobicContact CD1-CD1 4.21Å; L313-L317 HydrophobicContact CD1-CD2 4.41Å; L313-L317 HydrophobicContact CD1-CG 4.06Å; L313-L317 HydrophobicContact CG-CD1 4.32Å; L313-L317 WeakPolarHBondContact O-CG 3.11Å; L313-L317 PolarHBondContact O-N 2.9Å; L313-W351 HydrophobicContact CB-CH2 3.83Å; L313-W351 HydrophobicContact CB-CZ2 3.72Å; L313-W351 HydrophobicContact CB-CZ3 4.38Å; L313-W351 HydrophobicContact CD1-CD2 3.75Å; L313-W351 HydrophobicContact CD1-CE3 4.08Å; L313-W351 HydrophobicContact CD1-CG 4.05Å; L313-W351 HydrophobicContact CD1-CZ2 4.25Å; L313-W351 HydrophobicContact CD1-CZ3 4.44Å; L313-W351 HydrophobicContact CG-CZ2 4.47Å; L313-L365 HydrophobicContact CD1-CD1 4.2Å; L313-L365 HydrophobicContact CD1-CG 4.17Å; L313-L365 HydrophobicContact CD2-CD2 4.45Å; L313-L365 HydrophobicContact CD2-CG 4.2Å; L313-A368 HydrophobicContact CD2-CB 3.56Å; L313-L369 HydrophobicContact CD2-CD2 3.53Å; L313-L369 HydrophobicContact CD2-CG 4.16Å; L313-L369 HydrophobicContact CG-CD2 3.93Å; L313-Y372 HydrophobicContact CB-CE2 4.01Å; L313-Y372 HydrophobicContact CD2-CE2 4.38Å; L313-Y372 HydrophobicContact CG-CE2 4.3Å; L313-Y372 PolarHBondContact N-OH 3.11Å
314W94.2Very high82.4Confident2 Ų245.3 Ų45.31%0.00828%0.278CS..Hα-helixtrans-63.2-37.9176.371.7-100.2000112.3L303 Q312 L318 Y372 I377 M378 F390 I395 A398 L399L303-W314 HydrophobicContact CD1-CH2 4.48Å; Q312-W314 PolarHBondContact O-N 2.95Å; W314-L318 HydrophobicContact CE3-CD1 3.86Å; W314-L318 HydrophobicContact CZ3-CD1 3.92Å; W314-L318 PolarHBondContact O-N 3.47Å; W314-Y372 HydrophobicContact CB-CE2 4.01Å; W314-Y372 AromaticContact CD1-CE1 3.78Å; W314-Y372 AromaticContact CD1-CZ 3.71Å; W314-Y372 PolarHBondContact N-OH 3.01Å; W314-I377 HydrophobicContact CB-CG2 3.7Å; W314-I377 HydrophobicContact CG-CG2 3.89Å; W314-M378 HydrophobicContact CB-CE 4.07Å; W314-F390 HydrophobicContact CB-CE1 4.27Å; W314-I395 HydrophobicContact CD2-CD1 3.89Å; W314-I395 HydrophobicContact CE3-CD1 3.39Å; W314-I395 HydrophobicContact CG-CD1 4.45Å; W314-I395 HydrophobicContact CZ3-CD1 3.78Å; W314-I395 HydrophobicContact CZ3-CG2 4.23Å; W314-A398 HydrophobicContact CZ2-CB 3.98Å; W314-L399 HydrophobicContact CH2-CD2 3.91Å
315Q91.7Very high84.2Confident13 Ų1348.9 Ų48.96%0.06130%0.303CS..Hα-helixtrans-65.9-48.2176.1-66172.3-50.200110.9S300 L303 I311 Q312 L313 L317 L318 E319S300-Q315 VanDerWaalsContact OG-C 3.24Å; S300-Q315 WeakPolarHBondContact OG-CA 3.48Å; S300-Q315 WeakPolarHBondContact OG-CB 3.46Å; S300-Q315 PolarHBondContact OG-O 3.34Å; L303-Q315 VanDerWaalsContact CB-NE2 3.3Å; L303-Q315 PolarHBondContact O-NE2 3.35Å; I311-Q315 HydrophobicContact CD1-CB 4.16Å; I311-Q315 HydrophobicContact CG1-CB 3.76Å; Q312-Q315 HydrophobicContact CB-CG 4.18Å; Q312-Q315 WeakPolarHBondContact O-CB 3.48Å; Q312-Q315 PolarHBondContact O-N 2.73Å; L313-Q315 VanDerWaalsContact C-N 3.32Å; L313-Q315 PolarHBondContact O-N 2.88Å; Q315-L317 VanDerWaalsContact C-N 3.29Å; Q315-L317 PolarHBondContact O-N 3.04Å; Q315-L318 PolarHBondContact O-N 3.29Å; Q315-E319 WeakPolarHBondContact O-CB 3.44Å; Q315-E319 PolarHBondContact O-N 3.04Å
316F93.7Very high86Confident2 Ų243.8 Ų43.81%0.00928%0.276CS..Hα-helixtrans-58.6-37.8178.5169.9-100000112.9I311 Q312 L313 E319 L320 R350 W351 R354I311-F316 HydrophobicContact CD1-CB 3.9Å; I311-F316 HydrophobicContact CG1-CB 4.15Å; Q312-F316 PolarHBondContact O-N 3.16Å; L313-F316 HydrophobicContact CD1-CD1 4.18Å; L313-F316 PolarHBondContact O-N 3.35Å; F316-E319 WeakPolarHBondContact O-CB 3.5Å; F316-E319 PolarHBondContact O-N 3.28Å; F316-L320 HydrophobicContact CD1-CD1 4.44Å; F316-L320 HydrophobicContact CE1-CD1 3.68Å; F316-L320 HydrophobicContact CE1-CG 4.38Å; F316-L320 HydrophobicContact CE2-CD1 4.31Å; F316-L320 HydrophobicContact CE2-CG 4.3Å; F316-L320 HydrophobicContact CZ-CD1 3.61Å; F316-L320 HydrophobicContact CZ-CD2 4.47Å; F316-L320 HydrophobicContact CZ-CG 4.1Å; F316-L320 PolarHBondContact O-N 3.38Å; F316-L320 VanDerWaalsContact O-N 3.09Å; F316-R350 HydrophobicContact CZ-CB 3.77Å; F316-W351 HydrophobicContact CB-CE3 3.9Å; F316-W351 HydrophobicContact CB-CZ3 3.73Å; F316-W351 HydrophobicContact CD1-CB 4.25Å; F316-W351 HydrophobicContact CD1-CD2 4.27Å; F316-W351 AromaticContact CD1-CE3 3.56Å; F316-W351 HydrophobicContact CD1-CE3 3.56Å; F316-W351 HydrophobicContact CD1-CZ3 4.28Å; F316-W351 HydrophobicContact CD2-CE3 4.18Å; F316-W351 HydrophobicContact CE1-CB 3.68Å; F316-W351 HydrophobicContact CE1-CE3 4.11Å; F316-W351 HydrophobicContact CE1-CG 4.45Å; F316-W351 AromaticContact CG-CE3 3.6Å; F316-W351 HydrophobicContact CG-CE3 3.6Å; F316-W351 AromaticContact CG-CZ3 3.97Å; F316-W351 HydrophobicContact CG-CZ3 3.97Å; F316-W351 HydrophobicContact CZ-CB 4.13Å; F316-R354 HydrophobicContact CD2-CB 4.26Å; F316-R354 HydrophobicContact CD2-CG 3.97Å; F316-R354 HydrophobicContact CE2-CB 4.03Å; F316-R354 HydrophobicContact CE2-CG 4.21Å
317L95.5Very high87.9Confident0 Ų040.7 Ų40.70%026%0.256CS..Hα-helixtrans-69.7-41.3176.1-66.2177.8000112.1L313 Q315 E319 L320 L321 I330 F339 M341 V347 L369 M378 F390L313-L317 HydrophobicContact CD1-CD1 4.21Å; L313-L317 HydrophobicContact CD1-CD2 4.41Å; L313-L317 HydrophobicContact CD1-CG 4.06Å; L313-L317 HydrophobicContact CG-CD1 4.32Å; L313-L317 WeakPolarHBondContact O-CG 3.11Å; L313-L317 PolarHBondContact O-N 2.9Å; Q315-L317 VanDerWaalsContact C-N 3.29Å; Q315-L317 PolarHBondContact O-N 3.04Å; L317-E319 VanDerWaalsContact C-N 3.28Å; L317-E319 PolarHBondContact O-N 2.87Å; L317-L320 PolarHBondContact O-N 3.43Å; L317-L321 VanDerWaalsContact O-CB 3.22Å; L317-L321 WeakPolarHBondContact O-CB 3.46Å; L317-L321 WeakPolarHBondContact O-CD1 3.46Å; L317-L321 VanDerWaalsContact O-CG 3.28Å; L317-L321 WeakPolarHBondContact O-CG 3.27Å; L317-L321 PolarHBondContact O-N 3.39Å; L317-I330 HydrophobicContact CB-CD1 4.43Å; L317-I330 HydrophobicContact CD2-CD1 3.64Å; L317-F339 HydrophobicContact CD1-CE2 4.2Å; L317-F339 HydrophobicContact CD1-CZ 4.01Å; L317-M341 HydrophobicContact CD1-CE 3.94Å; L317-M341 HydrophobicContact CD2-CE 3.8Å; L317-V347 HydrophobicContact CD2-CG1 3.74Å; L317-L369 HydrophobicContact CD1-CD2 3.64Å; L317-M378 HydrophobicContact CD1-CE 4.31Å; L317-F390 HydrophobicContact CB-CZ 4.15Å
318L91.9Very high89.7Confident4 Ų442.1 Ų42.12%0.02126%0.257CS..Hα-helixtrans-64.3-31.8172.1-73.1177.1000112.9S300 W314 Q315 L321 S322 W332 F390S300-L318 WeakPolarHBondContact OG-CB 3.43Å; W314-L318 HydrophobicContact CE3-CD1 3.86Å; W314-L318 HydrophobicContact CZ3-CD1 3.92Å; W314-L318 PolarHBondContact O-N 3.47Å; Q315-L318 PolarHBondContact O-N 3.29Å; L318-L321 CarbonylContact O-C 3.59Å; L318-S322 WeakPolarHBondContact O-CB 3.31Å; L318-S322 PolarHBondContact O-N 2.97Å; L318-W332 HydrophobicContact CD2-CH2 3.73Å; L318-W332 HydrophobicContact CD2-CZ2 4.03Å; L318-F390 HydrophobicContact CD1-CE1 4.43Å; L318-F390 HydrophobicContact CD2-CD2 3.94Å; L318-F390 HydrophobicContact CD2-CE1 4.15Å; L318-F390 HydrophobicContact CD2-CE2 3.52Å; L318-F390 HydrophobicContact CD2-CG 4.42Å; L318-F390 HydrophobicContact CD2-CZ 3.64Å; L318-F390 HydrophobicContact CG-CE1 3.95Å; L318-F390 HydrophobicContact CG-CE2 4.08Å; L318-F390 HydrophobicContact CG-CZ 3.64Å
319E90.5Very high91.3Very high37 Ų3740.7 Ų40.717%0.17325%0.247CC..Hα-helixtrans-65.2-51.4175.1-174.4-164.2122.500110.8I311 Q315 F316 L317 L321 S322 R354I311-E319 WeakPolarHBondContact CD1-OE2 3.48Å; Q315-E319 WeakPolarHBondContact O-CB 3.44Å; Q315-E319 PolarHBondContact O-N 3.04Å; F316-E319 WeakPolarHBondContact O-CB 3.5Å; F316-E319 PolarHBondContact O-N 3.28Å; L317-E319 VanDerWaalsContact C-N 3.28Å; L317-E319 PolarHBondContact O-N 2.87Å; E319-L321 VanDerWaalsContact C-N 3.3Å; E319-L321 PolarHBondContact O-N 3.2Å; E319-S322 WeakPolarHBondContact O-CB 3.38Å; E319-S322 PolarHBondContact O-N 2.85Å; E319-S322 VanDerWaalsContact O-N 3.13Å; E319-S322 PolarHBondContact O-OG 3.03Å; E319-R354 IonicContact OE1-CZ 2.65Å; E319-R354 VanDerWaalsContact OE1-CZ 3.26Å; E319-R354 IonicContact OE1-NH1 2.71Å; E319-R354 PolarHBondContact OE1-NH1 3.12Å; E319-R354 IonicContact OE1-NH2 3.1Å; E319-R354 PolarHBondContact OE1-NH2 3.08Å; E319-R354 IonicContact OE2-CZ 3.78Å; E319-R354 IonicContact OE2-NH1 3.33Å; E319-R354 PolarHBondContact OE2-NH1 2.83Å; E319-R354 IonicContact OE2-NH2 3.6Å
320L93Very high92.5Very high11 Ų1138.5 Ų38.56%0.05822%0.224CC..Hα-helixtrans-60.3-41.7175.2-67.5179.9000111.7F316 L317 S322 D323 N326 I330F316-L320 HydrophobicContact CD1-CD1 4.44Å; F316-L320 HydrophobicContact CE1-CD1 3.68Å; F316-L320 HydrophobicContact CE1-CG 4.38Å; F316-L320 HydrophobicContact CE2-CD1 4.31Å; F316-L320 HydrophobicContact CE2-CG 4.3Å; F316-L320 HydrophobicContact CZ-CD1 3.61Å; F316-L320 HydrophobicContact CZ-CD2 4.47Å; F316-L320 HydrophobicContact CZ-CG 4.1Å; F316-L320 PolarHBondContact O-N 3.38Å; F316-L320 VanDerWaalsContact O-N 3.09Å; L317-L320 PolarHBondContact O-N 3.43Å; L320-S322 PolarHBondContact O-N 3.18Å; L320-D323 PolarHBondContact O-N 3.34Å; L320-D323 VanDerWaalsContact O-O 3.1Å; L320-N326 WeakPolarHBondContact O-CB 3.41Å; L320-N326 PolarHBondContact O-ND2 3.4Å; L320-I330 HydrophobicContact CB-CG2 3.6Å; L320-I330 HydrophobicContact CD1-CG2 4.03Å; L320-I330 HydrophobicContact CG-CG2 4.46Å
321L93.6Very high93.1Very high11 Ų1131.7 Ų31.76%0.05820%0.195CC..THydrogen-bonded Turntrans-72.9-6.7178.2-77.3167000114.7L317 L318 E319 I330 T331 W332 F339 F390L317-L321 VanDerWaalsContact O-CB 3.22Å; L317-L321 WeakPolarHBondContact O-CB 3.46Å; L317-L321 WeakPolarHBondContact O-CD1 3.46Å; L317-L321 VanDerWaalsContact O-CG 3.28Å; L317-L321 WeakPolarHBondContact O-CG 3.27Å; L317-L321 PolarHBondContact O-N 3.39Å; L318-L321 CarbonylContact O-C 3.59Å; E319-L321 VanDerWaalsContact C-N 3.3Å; E319-L321 PolarHBondContact O-N 3.2Å; L321-I330 HydrophobicContact CD1-CD1 4.02Å; L321-I330 HydrophobicContact CD1-CG1 4.33Å; L321-I330 HydrophobicContact CD2-CD1 4.43Å; L321-I330 HydrophobicContact CD2-CG1 3.91Å; L321-I330 HydrophobicContact CG-CD1 3.98Å; L321-I330 HydrophobicContact CG-CG1 4.01Å; L321-I330 HydrophobicContact CG-CG2 4.44Å; L321-T331 VanDerWaalsContact CD2-C 3.46Å; L321-W332 HydrophobicContact CB-CH2 4.34Å; L321-W332 HydrophobicContact CB-CZ2 3.47Å; L321-W332 VanDerWaalsContact CB-CZ2 3.47Å; L321-W332 HydrophobicContact CD1-CD2 4.45Å; L321-W332 HydrophobicContact CD1-CE3 4.48Å; L321-W332 HydrophobicContact CD1-CH2 3.73Å; L321-W332 HydrophobicContact CD1-CZ2 3.71Å; L321-W332 HydrophobicContact CD1-CZ3 4.14Å; L321-W332 HydrophobicContact CD2-CD2 4.03Å; L321-W332 HydrophobicContact CD2-CG 4.15Å; L321-W332 HydrophobicContact CD2-CZ2 4.36Å; L321-W332 HydrophobicContact CG-CZ2 4.05Å; L321-W332 PolarHBondContact O-NE1 3.35Å; L321-F339 HydrophobicContact CD1-CB 3.68Å; L321-F339 HydrophobicContact CD1-CD1 4.08Å; L321-F339 HydrophobicContact CD1-CD2 3.85Å; L321-F339 HydrophobicContact CD1-CE2 4.47Å; L321-F339 HydrophobicContact CD1-CG 3.62Å; L321-F339 HydrophobicContact CD2-CB 4.04Å; L321-F390 HydrophobicContact CD1-CE2 4.02Å
322S87.7Confident93.4Very high52 Ų5234.2 Ų34.236%0.36420%0.204SC..THydrogen-bonded Turntrans-76.6-25.7174.2780000112.9L318 E319 L320L318-S322 WeakPolarHBondContact O-CB 3.31Å; L318-S322 PolarHBondContact O-N 2.97Å; E319-S322 WeakPolarHBondContact O-CB 3.38Å; E319-S322 PolarHBondContact O-N 2.85Å; E319-S322 VanDerWaalsContact O-N 3.13Å; E319-S322 PolarHBondContact O-OG 3.03Å; L320-S322 PolarHBondContact O-N 3.18Å
323D86.9Confident93.3Very high73 Ų7333.2 Ų33.239%0.3920%0.199SC..SBendtrans-116.3116.7-178.8166.225.7000109.6L320 S325 N326L320-D323 PolarHBondContact O-N 3.34Å; L320-D323 VanDerWaalsContact O-O 3.1Å; D323-S325 VanDerWaalsContact CG-OG 3.26Å; D323-S325 PolarHBondContact O-N 2.7Å; D323-S325 VanDerWaalsContact O-N 3.14Å; D323-S325 VanDerWaalsContact OD1-CB 3.26Å; D323-S325 WeakPolarHBondContact OD1-CB 3.33Å; D323-S325 PolarHBondContact OD1-N 3.32Å; D323-S325 PolarHBondContact OD1-OG 3.16Å; D323-S325 WeakPolarHBondContact OD2-CB 3.43Å; D323-S325 PolarHBondContact OD2-OG 3.35Å; D323-N326 PolarHBondContact O-N 3.17Å; D323-N326 VanDerWaalsContact O-N 3.14Å; D323-N326 PolarHBondContact O-ND2 3.19Å; D323-N326 VanDerWaalsContact O-ND2 3.13Å; D323-N326 PolarHBondContact OD2-ND2 3.19Å
324S90.6Very high92.8Very high101 Ų10135.8 Ų35.871%0.70623%0.227SC*.G310 helixtrans-64.1-16.2-178.758.90000113.5N326 S327S324-N326 PolarHBondContact O-N 3.33Å; S324-S327 VanDerWaalsContact O-CB 3.25Å; S324-S327 WeakPolarHBondContact O-CB 3.49Å; S324-S327 PolarHBondContact O-N 3.38Å; S324-S327 VanDerWaalsContact O-N 3.09Å; S324-S327 PolarHBondContact O-OG 3.17Å
325S93.3Very high92.4Very high81 Ų8139.5 Ų39.557%0.56625%0.25SS*.G310 helixtrans-58.3-27.5172.6920000112.7D323 S327D323-S325 VanDerWaalsContact CG-OG 3.26Å; D323-S325 PolarHBondContact O-N 2.7Å; D323-S325 VanDerWaalsContact O-N 3.14Å; D323-S325 VanDerWaalsContact OD1-CB 3.26Å; D323-S325 WeakPolarHBondContact OD1-CB 3.33Å; D323-S325 PolarHBondContact OD1-N 3.32Å; D323-S325 PolarHBondContact OD1-OG 3.16Å; D323-S325 WeakPolarHBondContact OD2-CB 3.43Å; D323-S325 PolarHBondContact OD2-OG 3.35Å; S325-S327 PolarHBondContact O-N 2.96Å
326N94Very high92Very high15 Ų1543 Ų438%0.0827%0.269CS..G310 helixtrans-77.1-1.2179.4-60.3-65.6000114L320 D323 S324 S328 C329 I330 R350L320-N326 WeakPolarHBondContact O-CB 3.41Å; L320-N326 PolarHBondContact O-ND2 3.4Å; D323-N326 PolarHBondContact O-N 3.17Å; D323-N326 VanDerWaalsContact O-N 3.14Å; D323-N326 PolarHBondContact O-ND2 3.19Å; D323-N326 VanDerWaalsContact O-ND2 3.13Å; D323-N326 PolarHBondContact OD2-ND2 3.19Å; S324-N326 PolarHBondContact O-N 3.33Å; N326-S328 PolarHBondContact O-N 3.42Å; N326-C329 PolarHBondContact O-N 3.03Å; N326-C329 PolarHBondContact O-SG 3.03Å; N326-I330 CarbonylContact C-O 3.44Å; N326-I330 HydrophobicContact CB-CG2 4.3Å; N326-I330 PolarHBondContact O-N 3.08Å; N326-I330 VanDerWaalsContact O-O 3.12Å; N326-R350 PolarHBondContact OD1-NH1 2.73Å
327S95.5Very high91.8Very high44 Ų4443 Ų4331%0.30827%0.269SS..G310 helixtrans-58.9-17.5-175.9-63.10000115S324 S325 C329 I330 T331 T342S324-S327 VanDerWaalsContact O-CB 3.25Å; S324-S327 WeakPolarHBondContact O-CB 3.49Å; S324-S327 PolarHBondContact O-N 3.38Å; S324-S327 VanDerWaalsContact O-N 3.09Å; S324-S327 PolarHBondContact O-OG 3.17Å; S325-S327 PolarHBondContact O-N 2.96Å; S327-C329 VanDerWaalsContact C-N 3.27Å; S327-C329 PolarHBondContact O-N 3.19Å; S327-I330 VanDerWaalsContact CA-O 3.31Å; S327-I330 WeakPolarHBondContact CA-O 3.38Å; S327-T331 PolarHBondContact OG-OG1 3.04Å; S327-T331 VanDerWaalsContact OG-OG1 3.06Å; S327-T342 PolarHBondContact O-OG1 3.4Å
328S97.1Very high91.7Very high90 Ų9044 Ų4463%0.62927%0.274SS*.G310 helixtrans-62.2-29.9169.651.50000113.5N326 T342N326-S328 PolarHBondContact O-N 3.42Å; S328-T342 VanDerWaalsContact C-OG1 3.29Å; S328-T342 PolarHBondContact O-OG1 3.28Å
329C97.5Very high92Very high1 Ų143.8 Ų43.81%0.00727%0.273CS..THydrogen-bonded Turntrans-118.2-31.4179.469.80000114.4N326 S327 M341 T342 D343 E346 V347N326-C329 PolarHBondContact O-N 3.03Å; N326-C329 PolarHBondContact O-SG 3.03Å; S327-C329 VanDerWaalsContact C-N 3.27Å; S327-C329 PolarHBondContact O-N 3.19Å; C329-M341 CarbonylContact O-C 3.47Å; C329-M341 WeakPolarHBondContact O-CA 3.31Å; C329-T342 WeakPolarHBondContact CA-OG1 3.48Å; C329-T342 PolarHBondContact N-OG1 3.23Å; C329-T342 PolarHBondContact O-N 3.44Å; C329-T342 PolarHBondContact O-OG1 3.01Å; C329-D343 HydrophobicContact CB-CB 4.01Å; C329-D343 PolarHBondContact O-N 3.13Å; C329-E346 HydrophobicContact CB-CB 4.02Å; C329-E346 HydrophobicContact CB-CG 3.7Å; C329-V347 HydrophobicContact CB-CG2 4.02Å; C329-V347 WeakPolarHBondContact O-CG2 3.38Å
330I97.3Very high92.3Very high2 Ų244.9 Ų44.91%0.0128%0.277CS..EExtended strand (participates in β ladder)trans-151.5133.8177.9-165.1175.2000111.6L317 L320 L321 N326 S327 F339 K340 M341 T342 V347L317-I330 HydrophobicContact CB-CD1 4.43Å; L317-I330 HydrophobicContact CD2-CD1 3.64Å; L320-I330 HydrophobicContact CB-CG2 3.6Å; L320-I330 HydrophobicContact CD1-CG2 4.03Å; L320-I330 HydrophobicContact CG-CG2 4.46Å; L321-I330 HydrophobicContact CD1-CD1 4.02Å; L321-I330 HydrophobicContact CD1-CG1 4.33Å; L321-I330 HydrophobicContact CD2-CD1 4.43Å; L321-I330 HydrophobicContact CD2-CG1 3.91Å; L321-I330 HydrophobicContact CG-CD1 3.98Å; L321-I330 HydrophobicContact CG-CG1 4.01Å; L321-I330 HydrophobicContact CG-CG2 4.44Å; N326-I330 CarbonylContact C-O 3.44Å; N326-I330 HydrophobicContact CB-CG2 4.3Å; N326-I330 PolarHBondContact O-N 3.08Å; N326-I330 VanDerWaalsContact O-O 3.12Å; S327-I330 VanDerWaalsContact CA-O 3.31Å; S327-I330 WeakPolarHBondContact CA-O 3.38Å; I330-F339 HydrophobicContact CD1-CD2 3.86Å; I330-F339 HydrophobicContact CD1-CE2 3.98Å; I330-F339 HydrophobicContact CG1-CD2 4.03Å; I330-K340 WeakPolarHBondContact CA-O 3.12Å; I330-K340 WeakPolarHBondContact CG1-O 3.27Å; I330-M341 HydrophobicContact CD1-CE 4.42Å; I330-M341 HydrophobicContact CD1-CG 4.23Å; I330-M341 HydrophobicContact CG1-CG 4.2Å; I330-T342 PolarHBondContact N-OG1 2.68Å; I330-V347 HydrophobicContact CB-CG2 3.84Å; I330-V347 HydrophobicContact CG2-CG2 4.38Å
331T95.6Very high92.5Very high32 Ų3244.5 Ų44.520%0.19628%0.275CS..EExtended strand (participates in β ladder)trans-151.9155.3-176.7-159.70000112.4L321 S327 F339 K340 T342L321-T331 VanDerWaalsContact CD2-C 3.46Å; S327-T331 PolarHBondContact OG-OG1 3.04Å; S327-T331 VanDerWaalsContact OG-OG1 3.06Å; T331-F339 WeakPolarHBondContact O-CA 3.42Å; T331-F339 WeakPolarHBondContact O-CB 3.43Å; T331-K340 HydrophobicContact CG2-CD 4.27Å; T331-K340 VanDerWaalsContact CG2-CE 3.43Å; T331-K340 HydrophobicContact CG2-CG 3.85Å; T331-K340 PolarHBondContact N-O 3.42Å; T331-K340 PolarHBondContact O-N 3.4Å; T331-T342 HydrophobicContact CG2-CG2 4.37Å
332W94.6Very high92.7Very high55 Ų5547.1 Ų47.121%0.20829%0.292CS..EExtended strand (participates in β ladder)trans-68.3134.7173.2-63.4109000110.3Y293 L318 L321 F339 F390Y293-W332 VanDerWaalsContact CB-CE2 3.44Å; Y293-W332 HydrophobicContact CD1-CD2 4.06Å; Y293-W332 AromaticContact CD1-CE2 3.98Å; Y293-W332 AromaticContact CD1-CE3 3.69Å; Y293-W332 HydrophobicContact CD1-CE3 3.69Å; Y293-W332 AromaticContact CD1-CH2 3.23Å; Y293-W332 HydrophobicContact CD1-CH2 3.23Å; Y293-W332 AromaticContact CD1-CZ2 3.59Å; Y293-W332 HydrophobicContact CD1-CZ2 3.59Å; Y293-W332 AromaticContact CD1-CZ3 3.27Å; Y293-W332 HydrophobicContact CD1-CZ3 3.27Å; Y293-W332 HydrophobicContact CD2-CD2 4.42Å; Y293-W332 HydrophobicContact CD2-CE3 4.36Å; Y293-W332 HydrophobicContact CE1-CE3 4.33Å; Y293-W332 HydrophobicContact CE1-CH2 4.07Å; Y293-W332 AromaticContact CE1-CZ3 3.82Å; Y293-W332 HydrophobicContact CE1-CZ3 3.82Å; Y293-W332 AromaticContact CG-CD2 3.76Å; Y293-W332 HydrophobicContact CG-CD2 3.76Å; Y293-W332 AromaticContact CG-CE2 3.75Å; Y293-W332 AromaticContact CG-CE3 3.77Å; Y293-W332 HydrophobicContact CG-CE3 3.77Å; Y293-W332 HydrophobicContact CG-CG 4.49Å; Y293-W332 AromaticContact CG-CH2 3.9Å; Y293-W332 HydrophobicContact CG-CH2 3.9Å; Y293-W332 AromaticContact CG-CZ2 3.83Å; Y293-W332 HydrophobicContact CG-CZ2 3.83Å; Y293-W332 AromaticContact CG-CZ3 3.86Å; Y293-W332 HydrophobicContact CG-CZ3 3.86Å; L318-W332 HydrophobicContact CD2-CH2 3.73Å; L318-W332 HydrophobicContact CD2-CZ2 4.03Å; L321-W332 HydrophobicContact CB-CH2 4.34Å; L321-W332 HydrophobicContact CB-CZ2 3.47Å; L321-W332 VanDerWaalsContact CB-CZ2 3.47Å; L321-W332 HydrophobicContact CD1-CD2 4.45Å; L321-W332 HydrophobicContact CD1-CE3 4.48Å; L321-W332 HydrophobicContact CD1-CH2 3.73Å; L321-W332 HydrophobicContact CD1-CZ2 3.71Å; L321-W332 HydrophobicContact CD1-CZ3 4.14Å; L321-W332 HydrophobicContact CD2-CD2 4.03Å; L321-W332 HydrophobicContact CD2-CG 4.15Å; L321-W332 HydrophobicContact CD2-CZ2 4.36Å; L321-W332 HydrophobicContact CG-CZ2 4.05Å; L321-W332 PolarHBondContact O-NE1 3.35Å; W332-F339 HydrophobicContact CD2-CB 4.48Å; W332-F339 HydrophobicContact CE3-CB 3.82Å; W332-F339 HydrophobicContact CZ3-CB 4.01Å; W332-F339 HydrophobicContact CZ3-CD1 4.21Å; W332-F390 AromaticContact CH2-CD2 3.7Å; W332-F390 HydrophobicContact CH2-CD2 3.7Å; W332-F390 AromaticContact CH2-CE2 3.7Å; W332-F390 HydrophobicContact CH2-CE2 3.7Å; W332-F390 AromaticContact CZ3-CD2 3.84Å; W332-F390 HydrophobicContact CZ3-CD2 3.84Å; W332-F390 HydrophobicContact CZ3-CE2 4.1Å
333E89.3Confident93.2Very high67 Ų6747.9 Ų47.931%0.31329%0.292SS..  trans-160.3112.5178.3-169.8-13484.200112.9E338 K340 K384E333-E338 PolarHBondContact N-O 2.86Å; E333-E338 WeakPolarHBondContact O-CB 3.35Å; E333-K340 HydrophobicContact CB-CD 4.1Å; E333-K340 HydrophobicContact CB-CG 4.05Å; E333-K340 HydrophobicContact CG-CD 4.39Å; E333-K340 VanDerWaalsContact OE2-CD 3.27Å; E333-K340 WeakPolarHBondContact OE2-CD 3.49Å; E333-K340 VanDerWaalsContact OE2-CE 3.31Å; E333-K340 WeakPolarHBondContact OE2-CE 3.15Å; E333-K340 IonicContact OE2-NZ 3.56Å; E333-K340 PolarHBondContact OE2-NZ 3.46Å; E333-K384 PolarHBondContact O-NZ 2.92Å; E333-K384 VanDerWaalsContact O-NZ 3.08Å; E333-K384 WeakPolarHBondContact OE1-CD 3.35Å; E333-K384 WeakPolarHBondContact OE1-CE 3.16Å; E333-K384 IonicContact OE1-NZ 3.57Å; E333-K384 PolarHBondContact OE1-NZ 2.54Å
334G86Confident93.8Very high59 Ų5945 Ų4561%0.60828%0.277SS*.SBendtrans128-139.9171.700000112
335T85.6Confident94.1Very high80 Ų8044.9 Ų44.949%0.49127%0.268SS..SBendtrans-78.7165.5173.572.20000111.6G337 E338 K389T335-G337 PolarHBondContact O-N 3.2Å; T335-E338 VanDerWaalsContact CB-OE1 3.28Å; T335-E338 WeakPolarHBondContact CB-OE1 3.36Å; T335-E338 WeakPolarHBondContact CG2-OE1 3.34Å; T335-E338 VanDerWaalsContact N-CD 3.34Å; T335-E338 PolarHBondContact N-OE1 2.73Å; T335-E338 WeakPolarHBondContact O-CB 3.36Å; T335-E338 PolarHBondContact O-N 3.12Å; T335-E338 PolarHBondContact OG1-OE1 2.68Å; T335-K389 PolarHBondContact OG1-NZ 2.98Å
336N83.2Confident94.4Very high86 Ų8643.2 Ų43.246%0.4625%0.252SS..THydrogen-bonded Turntrans-4297.3170.8-166.280.9000111.7Y293 K389Y293-N336 WeakPolarHBondContact OH-CA 3.45Å; Y293-N336 PolarHBondContact OH-ND2 3.01Å; Y293-N336 VanDerWaalsContact OH-ND2 3.07Å; Y293-N336 PolarHBondContact OH-OD1 3.1Å; Y293-N336 VanDerWaalsContact OH-OD1 3.12Å; N336-K389 WeakPolarHBondContact O-CE 3.28Å; N336-K389 PolarHBondContact O-NZ 3.27Å
337G88.1Confident94.6Very high1 Ų142.5 Ų42.51%0.0125%0.248CC..THydrogen-bonded Turntrans130.3-18.1174.300000113.6Y293 T335 K389 F390Y293-G337 WeakPolarHBondContact OH-CA 3.33Å; Y293-G337 PolarHBondContact OH-N 3.4Å; T335-G337 PolarHBondContact O-N 3.2Å; G337-K389 CarbonylContact O-C 3.56Å; G337-K389 VanDerWaalsContact O-CA 3.31Å; G337-K389 WeakPolarHBondContact O-CA 3.42Å; G337-F390 PolarHBondContact O-N 3.09Å
338E95.3Very high94.7Very high22 Ų2240.4 Ų40.410%0.10323%0.234CC..EExtended strand (participates in β ladder)trans-87.3132-169.2-64.5177.2-132.200113.9E333 T335 V381 K384 Y388 K389E333-E338 PolarHBondContact N-O 2.86Å; E333-E338 WeakPolarHBondContact O-CB 3.35Å; T335-E338 VanDerWaalsContact CB-OE1 3.28Å; T335-E338 WeakPolarHBondContact CB-OE1 3.36Å; T335-E338 WeakPolarHBondContact CG2-OE1 3.34Å; T335-E338 VanDerWaalsContact N-CD 3.34Å; T335-E338 PolarHBondContact N-OE1 2.73Å; T335-E338 WeakPolarHBondContact O-CB 3.36Å; T335-E338 PolarHBondContact O-N 3.12Å; T335-E338 PolarHBondContact OG1-OE1 2.68Å; E338-V381 HydrophobicContact CB-CG2 4.45Å; E338-V381 HydrophobicContact CG-CG2 3.81Å; E338-K384 IonicContact OE2-NZ 2.69Å; E338-K384 PolarHBondContact OE2-NZ 2.64Å; E338-Y388 WeakPolarHBondContact CA-O 3.42Å; E338-K389 HydrophobicContact CG-CB 4.07Å; E338-K389 HydrophobicContact CG-CD 3.83Å; E338-K389 HydrophobicContact CG-CG 4.08Å
339F96.4Very high94.8Very high0 Ų041.5 Ų41.50%022%0.224CC..EExtended strand (participates in β ladder)trans-132.3159.217168.4-84.9000110.8L317 L321 I330 T331 W332 M341 A387 Y388 F390L317-F339 HydrophobicContact CD1-CE2 4.2Å; L317-F339 HydrophobicContact CD1-CZ 4.01Å; L321-F339 HydrophobicContact CD1-CB 3.68Å; L321-F339 HydrophobicContact CD1-CD1 4.08Å; L321-F339 HydrophobicContact CD1-CD2 3.85Å; L321-F339 HydrophobicContact CD1-CE2 4.47Å; L321-F339 HydrophobicContact CD1-CG 3.62Å; L321-F339 HydrophobicContact CD2-CB 4.04Å; I330-F339 HydrophobicContact CD1-CD2 3.86Å; I330-F339 HydrophobicContact CD1-CE2 3.98Å; I330-F339 HydrophobicContact CG1-CD2 4.03Å; T331-F339 WeakPolarHBondContact O-CA 3.42Å; T331-F339 WeakPolarHBondContact O-CB 3.43Å; W332-F339 HydrophobicContact CD2-CB 4.48Å; W332-F339 HydrophobicContact CE3-CB 3.82Å; W332-F339 HydrophobicContact CZ3-CB 4.01Å; W332-F339 HydrophobicContact CZ3-CD1 4.21Å; F339-M341 HydrophobicContact CE2-CE 3.97Å; F339-A387 CarbonylContact O-C 3.59Å; F339-A387 VanDerWaalsContact O-CA 3.24Å; F339-A387 WeakPolarHBondContact O-CA 3.34Å; F339-Y388 WeakPolarHBondContact CD1-O 3.47Å; F339-Y388 HydrophobicContact CE2-CD2 4.46Å; F339-Y388 VanDerWaalsContact CZ-CB 3.46Å; F339-Y388 HydrophobicContact CZ-CG 4.27Å; F339-Y388 PolarHBondContact N-O 2.84Å; F339-Y388 PolarHBondContact O-N 3.08Å; F339-F390 AromaticContact CD1-CD2 3.64Å; F339-F390 HydrophobicContact CD1-CD2 3.64Å; F339-F390 AromaticContact CD1-CE2 3.42Å; F339-F390 HydrophobicContact CD1-CE2 3.42Å; F339-F390 VanDerWaalsContact CD1-CE2 3.42Å; F339-F390 HydrophobicContact CD1-CZ 4.37Å; F339-F390 AromaticContact CE1-CD2 3.55Å; F339-F390 HydrophobicContact CE1-CD2 3.55Å; F339-F390 HydrophobicContact CE1-CE1 4.49Å; F339-F390 AromaticContact CE1-CE2 3.2Å; F339-F390 HydrophobicContact CE1-CE2 3.2Å; F339-F390 HydrophobicContact CE1-CG 4.34Å; F339-F390 AromaticContact CE1-CZ 3.75Å; F339-F390 HydrophobicContact CE1-CZ 3.75Å; F339-F390 HydrophobicContact CG-CE2 4.38Å; F339-F390 HydrophobicContact CZ-CE2 4.01Å; F339-F390 HydrophobicContact CZ-CZ 4.19Å
340K97.4Very high94.8Very high59 Ų5944.6 Ų44.626%0.25724%0.235SC..EExtended strand (participates in β ladder)trans-123.3148.8171.462.4175.3164.8-160.80111.1I330 T331 E333 T342 Y386 A387I330-K340 WeakPolarHBondContact CA-O 3.12Å; I330-K340 WeakPolarHBondContact CG1-O 3.27Å; T331-K340 HydrophobicContact CG2-CD 4.27Å; T331-K340 VanDerWaalsContact CG2-CE 3.43Å; T331-K340 HydrophobicContact CG2-CG 3.85Å; T331-K340 PolarHBondContact N-O 3.42Å; T331-K340 PolarHBondContact O-N 3.4Å; E333-K340 HydrophobicContact CB-CD 4.1Å; E333-K340 HydrophobicContact CB-CG 4.05Å; E333-K340 HydrophobicContact CG-CD 4.39Å; E333-K340 VanDerWaalsContact OE2-CD 3.27Å; E333-K340 WeakPolarHBondContact OE2-CD 3.49Å; E333-K340 VanDerWaalsContact OE2-CE 3.31Å; E333-K340 WeakPolarHBondContact OE2-CE 3.15Å; E333-K340 IonicContact OE2-NZ 3.56Å; E333-K340 PolarHBondContact OE2-NZ 3.46Å; K340-T342 HydrophobicContact CD-CG2 4.01Å; K340-T342 HydrophobicContact CG-CG2 4.32Å; K340-Y386 WeakPolarHBondContact CA-O 3.49Å; K340-A387 HydrophobicContact CB-CB 4.41Å
341M98.1Very high94.7Very high4 Ų445.5 Ų45.52%0.0224%0.239CC..EExtended strand (participates in β ladder)trans-89.8109.5161.2-55.5176.4-176.100107.8L317 C329 I330 F339 P344 V347 Y362 L365 L369 Y386L317-M341 HydrophobicContact CD1-CE 3.94Å; L317-M341 HydrophobicContact CD2-CE 3.8Å; C329-M341 CarbonylContact O-C 3.47Å; C329-M341 WeakPolarHBondContact O-CA 3.31Å; I330-M341 HydrophobicContact CD1-CE 4.42Å; I330-M341 HydrophobicContact CD1-CG 4.23Å; I330-M341 HydrophobicContact CG1-CG 4.2Å; F339-M341 HydrophobicContact CE2-CE 3.97Å; M341-P344 HydrophobicContact CB-CB 4.08Å; M341-V347 HydrophobicContact CB-CG2 4.37Å; M341-V347 HydrophobicContact CE-CG1 4.02Å; M341-V347 HydrophobicContact CG-CG1 4.44Å; M341-V347 HydrophobicContact CG-CG2 4.24Å; M341-V347 HydrophobicContact SD-CB 4.21Å; M341-V347 HydrophobicContact SD-CG1 3.87Å; M341-Y362 HydrophobicContact SD-CD2 4.36Å; M341-Y362 HydrophobicContact SD-CE2 3.96Å; M341-L365 HydrophobicContact CE-CD2 3.91Å; M341-L365 HydrophobicContact SD-CD2 4.27Å; M341-L369 HydrophobicContact CE-CD1 3.93Å; M341-Y386 PolarHBondContact N-O 3.09Å; M341-Y386 WeakPolarHBondContact O-CB 3.32Å
342T97.9Very high94.8Very high66 Ų6644.2 Ų44.241%0.40523%0.231SC..SBendtrans-72.2-36.817430.50000111.1S327 S328 C329 I330 T331 K340S327-T342 PolarHBondContact O-OG1 3.4Å; S328-T342 VanDerWaalsContact C-OG1 3.29Å; S328-T342 PolarHBondContact O-OG1 3.28Å; C329-T342 WeakPolarHBondContact CA-OG1 3.48Å; C329-T342 PolarHBondContact N-OG1 3.23Å; C329-T342 PolarHBondContact O-N 3.44Å; C329-T342 PolarHBondContact O-OG1 3.01Å; I330-T342 PolarHBondContact N-OG1 2.68Å; T331-T342 HydrophobicContact CG2-CG2 4.37Å; K340-T342 HydrophobicContact CD-CG2 4.01Å; K340-T342 HydrophobicContact CG-CG2 4.32Å
343D98.2Very high94.8Very high68 Ų6847.7 Ų47.736%0.36425%0.25SC..SBendtrans-124.194.5165.6-171.6-26.5000109.2C329 D345 E346 V347C329-D343 HydrophobicContact CB-CB 4.01Å; C329-D343 PolarHBondContact O-N 3.13Å; D343-D345 PolarHBondContact O-N 3.46Å; D343-D345 PolarHBondContact OD1-N 3.39Å; D343-E346 HydrophobicContact CB-CB 3.99Å; D343-E346 PolarHBondContact OD1-N 2.86Å; D343-V347 WeakPolarHBondContact O-CG2 3.41Å; D343-V347 PolarHBondContact O-N 3.05Å
344P98.3Very high95Very high11 Ų1147.1 Ų47.17%0.07125%0.245CC..Hα-helixtrans-68.2-20.9-178.528.3-35.3000113.9M341 A348 Y362 Y386M341-P344 HydrophobicContact CB-CB 4.08Å; P344-A348 WeakPolarHBondContact O-CB 3.28Å; P344-A348 PolarHBondContact O-N 3.29Å; P344-A348 VanDerWaalsContact O-N 3.15Å; P344-Y362 HydrophobicContact CB-CD1 4.48Å; P344-Y362 HydrophobicContact CB-CD2 3.44Å; P344-Y362 VanDerWaalsContact CB-CD2 3.44Å; P344-Y362 HydrophobicContact CB-CE2 3.83Å; P344-Y362 HydrophobicContact CB-CG 3.8Å; P344-Y386 HydrophobicContact CB-CD1 4.16Å; P344-Y386 HydrophobicContact CB-CE1 4.39Å; P344-Y386 HydrophobicContact CB-CG 4.28Å; P344-Y386 HydrophobicContact CG-CD1 4.16Å; P344-Y386 HydrophobicContact CG-CD2 4.02Å; P344-Y386 HydrophobicContact CG-CE1 4.05Å; P344-Y386 HydrophobicContact CG-CE2 3.92Å; P344-Y386 HydrophobicContact CG-CG 4.15Å
345D98.4Very high95.2Very high99 Ų9946.6 Ų46.653%0.52923%0.226SC..Hα-helixtrans-89-33.9-178.2-72.9-55000111.4D343 A348 R349 Y362D343-D345 PolarHBondContact O-N 3.46Å; D343-D345 PolarHBondContact OD1-N 3.39Å; D345-A348 CarbonylContact O-C 3.41Å; D345-A348 PolarHBondContact O-N 3.29Å; D345-R349 WeakPolarHBondContact O-CB 3.22Å; D345-R349 PolarHBondContact O-N 3.18Å; D345-Y362 WeakPolarHBondContact OD1-CB 3.35Å
346E98.5Very high95.5Very high46 Ų4648 Ų4822%0.21524%0.239CC..Hα-helixtrans-64.2-40.9166.3172.859.9-174.900111.6C329 D343 A348 R349 R350C329-E346 HydrophobicContact CB-CB 4.02Å; C329-E346 HydrophobicContact CB-CG 3.7Å; D343-E346 HydrophobicContact CB-CB 3.99Å; D343-E346 PolarHBondContact OD1-N 2.86Å; E346-A348 VanDerWaalsContact C-N 3.29Å; E346-A348 PolarHBondContact O-N 3.25Å; E346-R349 PolarHBondContact O-N 3.16Å; E346-R349 IonicContact OE1-CZ 3.78Å; E346-R349 IonicContact OE1-NE 2.86Å; E346-R349 IonicContact OE1-NH2 2.73Å; E346-R349 PolarHBondContact OE1-NH2 2.98Å; E346-R349 IonicContact OE2-CZ 3.26Å; E346-R349 IonicContact OE2-NE 3.97Å; E346-R349 PolarHBondContact OE2-NE 3.02Å; E346-R349 IonicContact OE2-NH2 2.95Å; E346-R349 PolarHBondContact OE2-NH2 2.89Å; E346-R350 WeakPolarHBondContact O-CG 3.42Å; E346-R350 PolarHBondContact O-N 2.92Å; E346-R350 IonicContact OE1-CZ 2.72Å; E346-R350 IonicContact OE1-NE 2.7Å; E346-R350 PolarHBondContact OE1-NE 2.99Å; E346-R350 IonicContact OE1-NH2 2.72Å; E346-R350 PolarHBondContact OE1-NH2 3.32Å
347V98.4Very high96Very high0 Ų049.5 Ų49.50%024%0.242CC..Hα-helixtrans-60.6-40.6172.4174.50000110.9L317 C329 I330 M341 D343 W351 L365L317-V347 HydrophobicContact CD2-CG1 3.74Å; C329-V347 HydrophobicContact CB-CG2 4.02Å; C329-V347 WeakPolarHBondContact O-CG2 3.38Å; I330-V347 HydrophobicContact CB-CG2 3.84Å; I330-V347 HydrophobicContact CG2-CG2 4.38Å; M341-V347 HydrophobicContact CB-CG2 4.37Å; M341-V347 HydrophobicContact CE-CG1 4.02Å; M341-V347 HydrophobicContact CG-CG1 4.44Å; M341-V347 HydrophobicContact CG-CG2 4.24Å; M341-V347 HydrophobicContact SD-CB 4.21Å; M341-V347 HydrophobicContact SD-CG1 3.87Å; D343-V347 WeakPolarHBondContact O-CG2 3.41Å; D343-V347 PolarHBondContact O-N 3.05Å; V347-W351 WeakPolarHBondContact O-CB 3.24Å; V347-W351 PolarHBondContact O-N 3.08Å; V347-L365 HydrophobicContact CG1-CD1 4.07Å
348A98.6Very high96.2Very high1 Ų155.2 Ų55.21%0.00828%0.278CS..Hα-helixtrans-69.1-35.9175.300000113.3P344 D345 E346 W351 G352 M360 L365P344-A348 WeakPolarHBondContact O-CB 3.28Å; P344-A348 PolarHBondContact O-N 3.29Å; P344-A348 VanDerWaalsContact O-N 3.15Å; D345-A348 CarbonylContact O-C 3.41Å; D345-A348 PolarHBondContact O-N 3.29Å; E346-A348 VanDerWaalsContact C-N 3.29Å; E346-A348 PolarHBondContact O-N 3.25Å; A348-W351 PolarHBondContact O-N 3.26Å; A348-G352 PolarHBondContact O-N 3.23Å; A348-M360 WeakPolarHBondContact O-CG 3.4Å; A348-L365 HydrophobicContact CB-CB 4.39Å; A348-L365 HydrophobicContact CB-CD1 4.1Å
349R98.2Very high96.2Very high113 Ų11360.6 Ų60.643%0.42631%0.308SS..Hα-helixtrans-64-50.1174.9-168.9-160.862.967.66.8110.7D345 E346 W351 G352 E353D345-R349 WeakPolarHBondContact O-CB 3.22Å; D345-R349 PolarHBondContact O-N 3.18Å; E346-R349 PolarHBondContact O-N 3.16Å; E346-R349 IonicContact OE1-CZ 3.78Å; E346-R349 IonicContact OE1-NE 2.86Å; E346-R349 IonicContact OE1-NH2 2.73Å; E346-R349 PolarHBondContact OE1-NH2 2.98Å; E346-R349 IonicContact OE2-CZ 3.26Å; E346-R349 IonicContact OE2-NE 3.97Å; E346-R349 PolarHBondContact OE2-NE 3.02Å; E346-R349 IonicContact OE2-NH2 2.95Å; E346-R349 PolarHBondContact OE2-NH2 2.89Å; R349-W351 VanDerWaalsContact C-N 3.31Å; R349-W351 PolarHBondContact O-N 2.87Å; R349-G352 CarbonylContact O-C 3.59Å; R349-G352 WeakPolarHBondContact O-CA 3.42Å; R349-G352 PolarHBondContact O-N 3.45Å; R349-G352 VanDerWaalsContact O-N 3.08Å; R349-E353 IonicContact CZ-OE2 2.7Å; R349-E353 IonicContact NH1-OE1 3.35Å; R349-E353 IonicContact NH1-OE2 3.48Å; R349-E353 PolarHBondContact NH1-OE2 2.79Å; R349-E353 IonicContact NH2-OE2 3.84Å; R349-E353 WeakPolarHBondContact O-CB 3.44Å; R349-E353 PolarHBondContact O-N 3.44Å
350R97.2Very high96.2Very high65 Ų6562.3 Ų62.325%0.24532%0.316CS..Hα-helixtrans-61.8-36.4176.4-68.9-175.9-176.5-159.36.5112.6F316 N326 E346 R354F316-R350 HydrophobicContact CZ-CB 3.77Å; N326-R350 PolarHBondContact OD1-NH1 2.73Å; E346-R350 WeakPolarHBondContact O-CG 3.42Å; E346-R350 PolarHBondContact O-N 2.92Å; E346-R350 IonicContact OE1-CZ 2.72Å; E346-R350 IonicContact OE1-NE 2.7Å; E346-R350 PolarHBondContact OE1-NE 2.99Å; E346-R350 IonicContact OE1-NH2 2.72Å; E346-R350 PolarHBondContact OE1-NH2 3.32Å; R350-R354 VanDerWaalsContact O-CB 3.28Å; R350-R354 WeakPolarHBondContact O-CB 3.37Å; R350-R354 PolarHBondContact O-N 3.07Å
351W96.6Very high96.3Very high22 Ų2262.5 Ų62.58%0.08332%0.32CS..Hα-helixtrans-67.8-38.2172.4177.2-124.1000112.4I311 L313 F316 V347 A348 R349 K355 L365I311-W351 HydrophobicContact CG2-CZ3 4.18Å; I311-W351 WeakPolarHBondContact O-CH2 3.33Å; L313-W351 HydrophobicContact CB-CH2 3.83Å; L313-W351 HydrophobicContact CB-CZ2 3.72Å; L313-W351 HydrophobicContact CB-CZ3 4.38Å; L313-W351 HydrophobicContact CD1-CD2 3.75Å; L313-W351 HydrophobicContact CD1-CE3 4.08Å; L313-W351 HydrophobicContact CD1-CG 4.05Å; L313-W351 HydrophobicContact CD1-CZ2 4.25Å; L313-W351 HydrophobicContact CD1-CZ3 4.44Å; L313-W351 HydrophobicContact CG-CZ2 4.47Å; F316-W351 HydrophobicContact CB-CE3 3.9Å; F316-W351 HydrophobicContact CB-CZ3 3.73Å; F316-W351 HydrophobicContact CD1-CB 4.25Å; F316-W351 HydrophobicContact CD1-CD2 4.27Å; F316-W351 AromaticContact CD1-CE3 3.56Å; F316-W351 HydrophobicContact CD1-CE3 3.56Å; F316-W351 HydrophobicContact CD1-CZ3 4.28Å; F316-W351 HydrophobicContact CD2-CE3 4.18Å; F316-W351 HydrophobicContact CE1-CB 3.68Å; F316-W351 HydrophobicContact CE1-CE3 4.11Å; F316-W351 HydrophobicContact CE1-CG 4.45Å; F316-W351 AromaticContact CG-CE3 3.6Å; F316-W351 HydrophobicContact CG-CE3 3.6Å; F316-W351 AromaticContact CG-CZ3 3.97Å; F316-W351 HydrophobicContact CG-CZ3 3.97Å; F316-W351 HydrophobicContact CZ-CB 4.13Å; V347-W351 WeakPolarHBondContact O-CB 3.24Å; V347-W351 PolarHBondContact O-N 3.08Å; A348-W351 PolarHBondContact O-N 3.26Å; R349-W351 VanDerWaalsContact C-N 3.31Å; R349-W351 PolarHBondContact O-N 2.87Å; W351-K355 HydrophobicContact CD2-CG 3.87Å; W351-K355 HydrophobicContact CE3-CD 4.26Å; W351-K355 HydrophobicContact CE3-CG 3.74Å; W351-K355 HydrophobicContact CH2-CD 3.5Å; W351-K355 HydrophobicContact CH2-CG 3.59Å; W351-K355 HydrophobicContact CZ2-CD 4.05Å; W351-K355 HydrophobicContact CZ2-CG 3.7Å; W351-K355 HydrophobicContact CZ3-CD 3.63Å; W351-K355 HydrophobicContact CZ3-CG 3.61Å; W351-K355 WeakPolarHBondContact O-CB 3.02Å; W351-K355 WeakPolarHBondContact O-CG 3.2Å; W351-K355 PolarHBondContact O-N 3.32Å; W351-K355 VanDerWaalsContact O-N 3.17Å; W351-L365 HydrophobicContact CB-CD1 3.85Å; W351-L365 HydrophobicContact CG-CD1 4.04Å
352G96.3Very high96.3Very high4 Ų464.2 Ų64.24%0.04133%0.326CS..Hα-helixtrans-59.9-50.4172.200000111.7A348 R349 K355 S356 K357 M360A348-G352 PolarHBondContact O-N 3.23Å; R349-G352 CarbonylContact O-C 3.59Å; R349-G352 WeakPolarHBondContact O-CA 3.42Å; R349-G352 PolarHBondContact O-N 3.45Å; R349-G352 VanDerWaalsContact O-N 3.08Å; G352-K355 CarbonylContact O-C 3.6Å; G352-K355 PolarHBondContact O-N 3.01Å; G352-S356 CarbonylContact O-C 3.55Å; G352-S356 WeakPolarHBondContact O-CA 3.35Å; G352-S356 PolarHBondContact O-N 2.81Å; G352-K357 WeakPolarHBondContact CA-O 3.32Å; G352-K357 PolarHBondContact O-N 2.8Å; G352-M360 VanDerWaalsContact CA-CB 3.46Å
353E94.9Very high96.3Very high128 Ų12865.8 Ų65.860%0.59833%0.332SS*.Hα-helixtrans-55.2-54.2174.6-179.3166.1-133.300111.6R349 K355 S356R349-E353 IonicContact CZ-OE2 2.7Å; R349-E353 IonicContact NH1-OE1 3.35Å; R349-E353 IonicContact NH1-OE2 3.48Å; R349-E353 PolarHBondContact NH1-OE2 2.79Å; R349-E353 IonicContact NH2-OE2 3.84Å; R349-E353 WeakPolarHBondContact O-CB 3.44Å; R349-E353 PolarHBondContact O-N 3.44Å; E353-K355 PolarHBondContact O-N 3.34Å; E353-K355 VanDerWaalsContact O-N 3.08Å; E353-S356 PolarHBondContact O-N 3.25Å; E353-S356 VanDerWaalsContact O-N 3.12Å
354R92.8Very high96.3Very high56 Ų5667.4 Ų67.421%0.21134%0.336CS..Hα-helixtrans-59.1-22.9178.5-176.859.366.2836.6114.4I311 F316 E319 R350I311-R354 HydrophobicContact CG2-CG 3.53Å; F316-R354 HydrophobicContact CD2-CB 4.26Å; F316-R354 HydrophobicContact CD2-CG 3.97Å; F316-R354 HydrophobicContact CE2-CB 4.03Å; F316-R354 HydrophobicContact CE2-CG 4.21Å; E319-R354 IonicContact OE1-CZ 2.65Å; E319-R354 VanDerWaalsContact OE1-CZ 3.26Å; E319-R354 IonicContact OE1-NH1 2.71Å; E319-R354 PolarHBondContact OE1-NH1 3.12Å; E319-R354 IonicContact OE1-NH2 3.1Å; E319-R354 PolarHBondContact OE1-NH2 3.08Å; E319-R354 IonicContact OE2-CZ 3.78Å; E319-R354 IonicContact OE2-NH1 3.33Å; E319-R354 PolarHBondContact OE2-NH1 2.83Å; E319-R354 IonicContact OE2-NH2 3.6Å; R350-R354 VanDerWaalsContact O-CB 3.28Å; R350-R354 WeakPolarHBondContact O-CB 3.37Å; R350-R354 PolarHBondContact O-N 3.07Å
355K91.9Very high96.3Very high48 Ų4866.9 Ų66.921%0.20933%0.333CS..THydrogen-bonded Turntrans-114.39.6-179.2-56.1-65.5-77.3-172.20113.3G309 Q310 I311 W351 G352 E353 K357G309-K355 WeakPolarHBondContact O-CD 3.37Å; G309-K355 VanDerWaalsContact O-CE 3.32Å; G309-K355 WeakPolarHBondContact O-CE 3.48Å; G309-K355 PolarHBondContact O-NZ 3.08Å; Q310-K355 PolarHBondContact O-NZ 3.46Å; I311-K355 HydrophobicContact CG2-CD 4.17Å; I311-K355 PolarHBondContact O-NZ 2.92Å; W351-K355 HydrophobicContact CD2-CG 3.87Å; W351-K355 HydrophobicContact CE3-CD 4.26Å; W351-K355 HydrophobicContact CE3-CG 3.74Å; W351-K355 HydrophobicContact CH2-CD 3.5Å; W351-K355 HydrophobicContact CH2-CG 3.59Å; W351-K355 HydrophobicContact CZ2-CD 4.05Å; W351-K355 HydrophobicContact CZ2-CG 3.7Å; W351-K355 HydrophobicContact CZ3-CD 3.63Å; W351-K355 HydrophobicContact CZ3-CG 3.61Å; W351-K355 WeakPolarHBondContact O-CB 3.02Å; W351-K355 WeakPolarHBondContact O-CG 3.2Å; W351-K355 PolarHBondContact O-N 3.32Å; W351-K355 VanDerWaalsContact O-N 3.17Å; G352-K355 CarbonylContact O-C 3.6Å; G352-K355 PolarHBondContact O-N 3.01Å; E353-K355 PolarHBondContact O-N 3.34Å; E353-K355 VanDerWaalsContact O-N 3.08Å; K355-K357 VanDerWaalsContact C-N 3.26Å; K355-K357 HydrophobicContact CB-CD 4.31Å; K355-K357 HydrophobicContact CB-CG 4.42Å; K355-K357 PolarHBondContact O-N 2.86Å
356S91.5Very high96.3Very high109 Ų10962.3 Ų62.376%0.76231%0.309SS*.THydrogen-bonded Turntrans51.540-175.5-49.10000113.9G352 E353 P358G352-S356 CarbonylContact O-C 3.55Å; G352-S356 WeakPolarHBondContact O-CA 3.35Å; G352-S356 PolarHBondContact O-N 2.81Å; E353-S356 PolarHBondContact O-N 3.25Å; E353-S356 VanDerWaalsContact O-N 3.12Å; S356-P358 WeakPolarHBondContact O-CD 3.44Å
357K92.8Very high96.2Very high118 Ų11864.8 Ų64.851%0.51332%0.316SS..  trans-113.988.3-179.7-72.5178.4-175-169.80110G352 K355 N359 M360G352-K357 WeakPolarHBondContact CA-O 3.32Å; G352-K357 PolarHBondContact O-N 2.8Å; K355-K357 VanDerWaalsContact C-N 3.26Å; K355-K357 HydrophobicContact CB-CD 4.31Å; K355-K357 HydrophobicContact CB-CG 4.42Å; K355-K357 PolarHBondContact O-N 2.86Å; K357-N359 PolarHBondContact O-N 2.94Å; K357-M360 HydrophobicContact CB-CE 4.03Å; K357-M360 HydrophobicContact CD-CE 3.85Å; K357-M360 VanDerWaalsContact O-CB 3.32Å; K357-M360 WeakPolarHBondContact O-CB 3.2Å; K357-M360 PolarHBondContact O-N 2.93Å; K357-M360 VanDerWaalsContact O-N 3.16Å
358P92.4Very high96.1Very high121 Ų12166.2 Ų66.279%0.78633%0.328SS*.THydrogen-bonded Turntrans-62.6-31.6-175.424.1-34.2000112.9S356 M360S356-P358 WeakPolarHBondContact O-CD 3.44Å; P358-M360 PolarHBondContact O-N 2.77Å
359N96Very high96.1Very high134 Ų13466.1 Ų66.172%0.71733%0.327SS*.THydrogen-bonded Turntrans-85.329.5177.7-64-31.1000113.3K357 K364K357-N359 PolarHBondContact O-N 2.94Å; N359-K364 WeakPolarHBondContact O-CD 3.31Å; N359-K364 PolarHBondContact O-NZ 3.21Å
360M97.2Very high96.1Very high36 Ų3665.4 Ų65.418%0.17733%0.325CS..  trans-79.2144.3173.3-169.560.969.100110.7A348 G352 K357 P358 K364A348-M360 WeakPolarHBondContact O-CG 3.4Å; G352-M360 VanDerWaalsContact CA-CB 3.46Å; K357-M360 HydrophobicContact CB-CE 4.03Å; K357-M360 HydrophobicContact CD-CE 3.85Å; K357-M360 VanDerWaalsContact O-CB 3.32Å; K357-M360 WeakPolarHBondContact O-CB 3.2Å; K357-M360 PolarHBondContact O-N 2.93Å; K357-M360 VanDerWaalsContact O-N 3.16Å; P358-M360 PolarHBondContact O-N 2.77Å; M360-K364 HydrophobicContact SD-CB 3.9Å
361N98.1Very high96.1Very high63 Ų6368.8 Ų68.834%0.33734%0.338SS..  trans-154.9170177.263.36.2000110.2D363 K364 L365N361-D363 VanDerWaalsContact C-N 3.27Å; N361-D363 PolarHBondContact O-N 2.8Å; N361-K364 PolarHBondContact O-N 2.82Å; N361-K364 WeakPolarHBondContact OD1-CB 3Å; N361-K364 WeakPolarHBondContact OD1-CD 3.26Å; N361-K364 VanDerWaalsContact OD1-CG 3.24Å; N361-K364 WeakPolarHBondContact OD1-CG 3.41Å; N361-K364 PolarHBondContact OD1-N 3.36Å; N361-K364 VanDerWaalsContact OD1-N 3.08Å; N361-L365 PolarHBondContact O-N 2.58Å
362Y98.4Very high96.1Very high40 Ų4069 Ų6916%0.15734%0.339CS..Hα-helixtrans-62.4-29-176.8178.4-103.1000114M341 P344 D345 S366 Y386 Y388M341-Y362 HydrophobicContact SD-CD2 4.36Å; M341-Y362 HydrophobicContact SD-CE2 3.96Å; P344-Y362 HydrophobicContact CB-CD1 4.48Å; P344-Y362 HydrophobicContact CB-CD2 3.44Å; P344-Y362 VanDerWaalsContact CB-CD2 3.44Å; P344-Y362 HydrophobicContact CB-CE2 3.83Å; P344-Y362 HydrophobicContact CB-CG 3.8Å; D345-Y362 WeakPolarHBondContact OD1-CB 3.35Å; Y362-S366 WeakPolarHBondContact O-CB 3.43Å; Y362-S366 PolarHBondContact O-N 2.7Å; Y362-S366 PolarHBondContact O-OG 2.72Å; Y362-Y386 HydrophobicContact CD1-CE1 4.23Å; Y362-Y386 AromaticContact CE1-CD1 3.82Å; Y362-Y386 HydrophobicContact CE1-CD1 3.82Å; Y362-Y386 AromaticContact CE1-CE1 3.7Å; Y362-Y386 HydrophobicContact CE1-CE1 3.7Å; Y362-Y386 HydrophobicContact CE2-CD1 4.24Å; Y362-Y386 AromaticContact CZ-CD1 3.61Å; Y362-Y388 PolarHBondContact OH-OH 3.37Å; Y362-Y388 VanDerWaalsContact OH-OH 3.08Å
363D97.6Very high96.1Very high99 Ų9971.9 Ų71.953%0.52935%0.349SS..Hα-helixtrans-61.2-52173.7176.460.8000111.5N361 L365 S366 R367N361-D363 VanDerWaalsContact C-N 3.27Å; N361-D363 PolarHBondContact O-N 2.8Å; D363-L365 PolarHBondContact O-N 2.82Å; D363-S366 PolarHBondContact O-N 3.33Å; D363-S366 PolarHBondContact O-OG 2.89Å; D363-S366 VanDerWaalsContact O-OG 3.08Å; D363-R367 WeakPolarHBondContact O-CB 3.31Å; D363-R367 PolarHBondContact O-N 2.9Å
364K98Very high96Very high102 Ų10272.8 Ų72.844%0.44336%0.358SS..Hα-helixtrans-63.8-39.7178.6-68167.5-166.3175.80112.1N359 M360 N361 R367 A368N359-K364 WeakPolarHBondContact O-CD 3.31Å; N359-K364 PolarHBondContact O-NZ 3.21Å; M360-K364 HydrophobicContact SD-CB 3.9Å; N361-K364 PolarHBondContact O-N 2.82Å; N361-K364 WeakPolarHBondContact OD1-CB 3Å; N361-K364 WeakPolarHBondContact OD1-CD 3.26Å; N361-K364 VanDerWaalsContact OD1-CG 3.24Å; N361-K364 WeakPolarHBondContact OD1-CG 3.41Å; N361-K364 PolarHBondContact OD1-N 3.36Å; N361-K364 VanDerWaalsContact OD1-N 3.08Å; K364-R367 PolarHBondContact O-N 3.27Å; K364-A368 PolarHBondContact O-N 3.13Å
365L98.2Very high95.9Very high0 Ų076.5 Ų76.50%038%0.376CS..Hα-helixtrans-64.1-49.9175.4-171.3152.6000110.7L313 M341 V347 A348 W351 N361 D363 R367 A368 L369L313-L365 HydrophobicContact CD1-CD1 4.2Å; L313-L365 HydrophobicContact CD1-CG 4.17Å; L313-L365 HydrophobicContact CD2-CD2 4.45Å; L313-L365 HydrophobicContact CD2-CG 4.2Å; M341-L365 HydrophobicContact CE-CD2 3.91Å; M341-L365 HydrophobicContact SD-CD2 4.27Å; V347-L365 HydrophobicContact CG1-CD1 4.07Å; A348-L365 HydrophobicContact CB-CB 4.39Å; A348-L365 HydrophobicContact CB-CD1 4.1Å; W351-L365 HydrophobicContact CB-CD1 3.85Å; W351-L365 HydrophobicContact CG-CD1 4.04Å; N361-L365 PolarHBondContact O-N 2.58Å; D363-L365 PolarHBondContact O-N 2.82Å; L365-R367 VanDerWaalsContact C-N 3.28Å; L365-R367 PolarHBondContact O-N 3Å; L365-A368 WeakPolarHBondContact O-CA 3.44Å; L365-A368 VanDerWaalsContact O-CB 3.31Å; L365-A368 WeakPolarHBondContact O-CB 3.41Å; L365-A368 PolarHBondContact O-N 3.44Å; L365-L369 HydrophobicContact CD2-CD1 3.69Å; L365-L369 HydrophobicContact CD2-CD2 4.29Å; L365-L369 HydrophobicContact CD2-CG 3.91Å; L365-L369 PolarHBondContact O-N 3.14Å
366S98.1Very high96Very high4 Ų478.4 Ų78.43%0.02839%0.388CS..Hα-helixtrans-67.7-26.4179.571.70000112.9Y362 D363 A368 L369 R370Y362-S366 WeakPolarHBondContact O-CB 3.43Å; Y362-S366 PolarHBondContact O-N 2.7Å; Y362-S366 PolarHBondContact O-OG 2.72Å; D363-S366 PolarHBondContact O-N 3.33Å; D363-S366 PolarHBondContact O-OG 2.89Å; D363-S366 VanDerWaalsContact O-OG 3.08Å; S366-A368 VanDerWaalsContact C-N 3.31Å; S366-L369 PolarHBondContact O-N 3.13Å; S366-R370 VanDerWaalsContact O-CG 3.31Å; S366-R370 WeakPolarHBondContact O-CG 3.44Å; S366-R370 PolarHBondContact O-N 2.77Å; S366-R370 PolarHBondContact O-NE 3.35Å; S366-R370 PolarHBondContact OG-NH2 2.73Å
367R97.7Very high96Very high98 Ų9873.6 Ų73.637%0.3735%0.354SS..Hα-helixtrans-65.3-34.4168-178.262.4-166.597.1-15.4112D363 K364 L365 Y371D363-R367 WeakPolarHBondContact O-CB 3.31Å; D363-R367 PolarHBondContact O-N 2.9Å; K364-R367 PolarHBondContact O-N 3.27Å; L365-R367 VanDerWaalsContact C-N 3.28Å; L365-R367 PolarHBondContact O-N 3Å; R367-Y371 VanDerWaalsContact CZ-CE1 3.49Å; R367-Y371 VanDerWaalsContact NH2-CZ 3.34Å; R367-Y371 PolarHBondContact NH2-OH 3.25Å; R367-Y371 WeakPolarHBondContact O-CD2 3.47Å
368A96.6Very high96.1Very high29 Ų2968 Ų6824%0.2433%0.33CS..Hα-helixtrans-70.6-42.5173.300000112.1L313 K364 L365 S366 R370 Y371L313-A368 HydrophobicContact CD2-CB 3.56Å; K364-A368 PolarHBondContact O-N 3.13Å; L365-A368 WeakPolarHBondContact O-CA 3.44Å; L365-A368 VanDerWaalsContact O-CB 3.31Å; L365-A368 WeakPolarHBondContact O-CB 3.41Å; L365-A368 PolarHBondContact O-N 3.44Å; S366-A368 VanDerWaalsContact C-N 3.31Å; A368-R370 VanDerWaalsContact C-N 3.26Å; A368-R370 PolarHBondContact O-N 3.41Å; A368-Y371 WeakPolarHBondContact O-CB 3.39Å; A368-Y371 PolarHBondContact O-N 3.14Å
369L97.9Very high96.3Very high0 Ų065.3 Ų65.30%031%0.311CS..Hα-helixtrans-57.9-36.9175.8-58.1178.8000112.7L313 L317 M341 L365 S366 Y371 Y372 Y373 M378 Y388L313-L369 HydrophobicContact CD2-CD2 3.53Å; L313-L369 HydrophobicContact CD2-CG 4.16Å; L313-L369 HydrophobicContact CG-CD2 3.93Å; L317-L369 HydrophobicContact CD1-CD2 3.64Å; M341-L369 HydrophobicContact CE-CD1 3.93Å; L365-L369 HydrophobicContact CD2-CD1 3.69Å; L365-L369 HydrophobicContact CD2-CD2 4.29Å; L365-L369 HydrophobicContact CD2-CG 3.91Å; L365-L369 PolarHBondContact O-N 3.14Å; S366-L369 PolarHBondContact O-N 3.13Å; L369-Y371 PolarHBondContact O-N 3.22Å; L369-Y372 HydrophobicContact CD2-CD2 4.49Å; L369-Y372 WeakPolarHBondContact O-CB 3.33Å; L369-Y372 PolarHBondContact O-N 3.15Å; L369-Y373 WeakPolarHBondContact O-CD1 3.38Å; L369-Y373 WeakPolarHBondContact O-CE1 3.4Å; L369-M378 HydrophobicContact CB-SD 4.2Å; L369-M378 HydrophobicContact CD2-CE 4.1Å; L369-M378 HydrophobicContact CD2-SD 3.64Å; L369-M378 HydrophobicContact CG-SD 4.4Å; L369-Y388 HydrophobicContact CB-CE1 4.02Å; L369-Y388 HydrophobicContact CD1-CD1 4.18Å; L369-Y388 HydrophobicContact CD1-CD2 4.06Å; L369-Y388 HydrophobicContact CD1-CE1 3.75Å; L369-Y388 HydrophobicContact CD1-CE2 3.63Å; L369-Y388 HydrophobicContact CD1-CG 4.33Å; L369-Y388 VanDerWaalsContact CD1-CZ 3.46Å
370R97.3Very high96.4Very high98 Ų9863.3 Ų63.337%0.3730%0.296SS..G310 helixtrans-60.1-26.5176-68.5166.2-141.2154.58.6113.7S366 A368 Y372 Y373S366-R370 VanDerWaalsContact O-CG 3.31Å; S366-R370 WeakPolarHBondContact O-CG 3.44Å; S366-R370 PolarHBondContact O-N 2.77Å; S366-R370 PolarHBondContact O-NE 3.35Å; S366-R370 PolarHBondContact OG-NH2 2.73Å; A368-R370 VanDerWaalsContact C-N 3.26Å; A368-R370 PolarHBondContact O-N 3.41Å; R370-Y372 PolarHBondContact O-N 3.2Å; R370-Y373 HydrophobicContact CB-CE2 4.23Å; R370-Y373 HydrophobicContact CG-CE2 4Å
371Y96.9Very high96.3Very high135 Ų13562.7 Ų62.753%0.52929%0.294SS..G310 helixtrans-77.3-5.8176-66.3-61.7000113.9R367 A368 L369R367-Y371 VanDerWaalsContact CZ-CE1 3.49Å; R367-Y371 VanDerWaalsContact NH2-CZ 3.34Å; R367-Y371 PolarHBondContact NH2-OH 3.25Å; R367-Y371 WeakPolarHBondContact O-CD2 3.47Å; A368-Y371 WeakPolarHBondContact O-CB 3.39Å; A368-Y371 PolarHBondContact O-N 3.14Å; L369-Y371 PolarHBondContact O-N 3.22Å
372Y96.7Very high96.2Very high26 Ų2667 Ų6710%0.10231%0.312CS..G310 helixtrans-93.1-9.2177.2-69-46.5000113.9L313 W314 L369 R370 K375 N376 I377 M378L313-Y372 HydrophobicContact CB-CE2 4.01Å; L313-Y372 HydrophobicContact CD2-CE2 4.38Å; L313-Y372 HydrophobicContact CG-CE2 4.3Å; L313-Y372 PolarHBondContact N-OH 3.11Å; W314-Y372 HydrophobicContact CB-CE2 4.01Å; W314-Y372 AromaticContact CD1-CE1 3.78Å; W314-Y372 AromaticContact CD1-CZ 3.71Å; W314-Y372 PolarHBondContact N-OH 3.01Å; L369-Y372 HydrophobicContact CD2-CD2 4.49Å; L369-Y372 WeakPolarHBondContact O-CB 3.33Å; L369-Y372 PolarHBondContact O-N 3.15Å; R370-Y372 PolarHBondContact O-N 3.2Å; Y372-K375 PolarHBondContact O-N 2.88Å; Y372-N376 PolarHBondContact O-N 3.02Å; Y372-I377 HydrophobicContact CD1-CB 4.04Å; Y372-I377 HydrophobicContact CD1-CD1 3.78Å; Y372-I377 HydrophobicContact CD1-CG2 3.81Å; Y372-I377 HydrophobicContact CD2-CG2 4.33Å; Y372-I377 HydrophobicContact CE1-CD1 4.1Å; Y372-I377 HydrophobicContact CE1-CG2 4.36Å; Y372-I377 HydrophobicContact CG-CB 4.19Å; Y372-I377 HydrophobicContact CG-CG2 3.81Å; Y372-I377 PolarHBondContact O-N 3.05Å; Y372-M378 CarbonylContact C-O 3.6Å; Y372-M378 HydrophobicContact CD2-CE 3.85Å; Y372-M378 HydrophobicContact CD2-CG 4.15Å; Y372-M378 HydrophobicContact CD2-SD 3.92Å; Y372-M378 HydrophobicContact CE2-CE 4.35Å; Y372-M378 HydrophobicContact CG-CG 4.25Å
373Y96.5Very high96.1Very high66 Ų6669.5 Ų69.526%0.25935%0.35SS..THydrogen-bonded Turntrans-66-53.8-179.8-57.3-6.7000110.3L369 R370 K375 N376 M378 Y388L369-Y373 WeakPolarHBondContact O-CD1 3.38Å; L369-Y373 WeakPolarHBondContact O-CE1 3.4Å; R370-Y373 HydrophobicContact CB-CE2 4.23Å; R370-Y373 HydrophobicContact CG-CE2 4Å; Y373-K375 PolarHBondContact O-N 2.88Å; Y373-N376 PolarHBondContact O-N 2.88Å; Y373-M378 WeakPolarHBondContact CA-O 3.24Å; Y373-M378 WeakPolarHBondContact CD1-O 3.47Å; Y373-Y388 HydrophobicContact CE1-CE1 4.47Å
374D93.6Very high96Very high146 Ų14668 Ų6878%0.78134%0.338SS*.THydrogen-bonded Turntrans-70-2.6178.6-43-41.6000113.4
375K91.2Very high95.9Very high134 Ų13472.2 Ų72.258%0.58335%0.352SS*.THydrogen-bonded Turntrans-108.84.3178.6-65.5-165.9170.8-157.60113.5Y372 Y373 I377Y372-K375 PolarHBondContact O-N 2.88Å; Y373-K375 PolarHBondContact O-N 2.88Å; K375-I377 HydrophobicContact CB-CD1 4.02Å; K375-I377 HydrophobicContact CB-CG1 4.29Å; K375-I377 HydrophobicContact CD-CD1 4.4Å; K375-I377 PolarHBondContact O-N 2.92Å
376N92.7Very high95.9Very high88 Ų8875.6 Ų75.647%0.47137%0.365SS..THydrogen-bonded Turntrans5521.3-176.2-6588.5000114.5Y372 Y373 D391 G394Y372-N376 PolarHBondContact O-N 3.02Å; Y373-N376 PolarHBondContact O-N 2.88Å; N376-D391 VanDerWaalsContact O-CB 3.27Å; N376-D391 WeakPolarHBondContact O-CB 3.25Å; N376-G394 WeakPolarHBondContact O-CA 3.35Å; N376-G394 PolarHBondContact O-N 3.06Å
377I92.7Very high95.9Very high9 Ų975.5 Ų75.55%0.04636%0.364CS..SBendtrans-86.1-39.3-179.4-78.2166.6000110.3W314 Y372 K375 D391 I395 A398W314-I377 HydrophobicContact CB-CG2 3.7Å; W314-I377 HydrophobicContact CG-CG2 3.89Å; Y372-I377 HydrophobicContact CD1-CB 4.04Å; Y372-I377 HydrophobicContact CD1-CD1 3.78Å; Y372-I377 HydrophobicContact CD1-CG2 3.81Å; Y372-I377 HydrophobicContact CD2-CG2 4.33Å; Y372-I377 HydrophobicContact CE1-CD1 4.1Å; Y372-I377 HydrophobicContact CE1-CG2 4.36Å; Y372-I377 HydrophobicContact CG-CB 4.19Å; Y372-I377 HydrophobicContact CG-CG2 3.81Å; Y372-I377 PolarHBondContact O-N 3.05Å; K375-I377 HydrophobicContact CB-CD1 4.02Å; K375-I377 HydrophobicContact CB-CG1 4.29Å; K375-I377 HydrophobicContact CD-CD1 4.4Å; K375-I377 PolarHBondContact O-N 2.92Å; I377-D391 PolarHBondContact O-N 2.96Å; I377-D391 VanDerWaalsContact O-N 3.12Å; I377-I395 HydrophobicContact CG2-CD1 3.94Å; I377-A398 HydrophobicContact CD1-CB 3.92Å; I377-A398 HydrophobicContact CG1-CB 4.13Å
378M94.5Very high95.9Very high0 Ų071.1 Ų71.10%035%0.348CS..EExtended strand (participates in β ladder)trans-159.3162.3172.560.2175.169.500111.5W314 L317 L369 Y372 Y373 K389 F390W314-M378 HydrophobicContact CB-CE 4.07Å; L317-M378 HydrophobicContact CD1-CE 4.31Å; L369-M378 HydrophobicContact CB-SD 4.2Å; L369-M378 HydrophobicContact CD2-CE 4.1Å; L369-M378 HydrophobicContact CD2-SD 3.64Å; L369-M378 HydrophobicContact CG-SD 4.4Å; Y372-M378 CarbonylContact C-O 3.6Å; Y372-M378 HydrophobicContact CD2-CE 3.85Å; Y372-M378 HydrophobicContact CD2-CG 4.15Å; Y372-M378 HydrophobicContact CD2-SD 3.92Å; Y372-M378 HydrophobicContact CE2-CE 4.35Å; Y372-M378 HydrophobicContact CG-CG 4.25Å; Y373-M378 WeakPolarHBondContact CA-O 3.24Å; Y373-M378 WeakPolarHBondContact CD1-O 3.47Å; M378-K389 CarbonylContact C-O 3.57Å; M378-K389 WeakPolarHBondContact CA-O 3.3Å; M378-K389 VanDerWaalsContact CB-O 3.31Å; M378-K389 WeakPolarHBondContact CB-O 3.39Å; M378-F390 HydrophobicContact CB-CD1 4.35Å; M378-F390 HydrophobicContact CE-CD1 4.12Å; M378-F390 HydrophobicContact CE-CE1 3.59Å; M378-F390 HydrophobicContact CE-CZ 4.19Å
379T96.6Very high95.8Very high64 Ų6472.6 Ų72.639%0.39335%0.349SS..EExtended strand (participates in β ladder)trans-126.6168.9173.357.70000110.4Y388 K389T379-Y388 CarbonylContact O-C 3.47Å; T379-Y388 WeakPolarHBondContact O-CA 3.36Å; T379-K389 PolarHBondContact N-O 2.89Å; T379-K389 PolarHBondContact O-N 3.08Å
380K97.1Very high95.7Very high93 Ų9372.9 Ų72.940%0.40435%0.35SS..EExtended strand (participates in β ladder)trans-88.5137.2172.9-169.9-174.2176.9-171.40110.1H382 Y388K380-H382 PolarHBondContact O-CD2 3.01Å; K380-H382 PolarHBondContact O-N 2.98Å; K380-Y388 HydrophobicContact CB-CD1 4.42Å; K380-Y388 HydrophobicContact CB-CE1 4.37Å; K380-Y388 HydrophobicContact CG-CD1 4.5Å; K380-Y388 HydrophobicContact CG-CE1 4.24Å
381V97Very high95.4Very high23 Ų2370.2 Ų70.214%0.13934%0.343CS..  trans-81.7113.7167.4-174.10000108.5E338 K384 A387 K389E338-V381 HydrophobicContact CB-CG2 4.45Å; E338-V381 HydrophobicContact CG-CG2 3.81Å; V381-K384 HydrophobicContact CB-CD 4.5Å; V381-K384 HydrophobicContact CG1-CB 4.19Å; V381-K384 HydrophobicContact CG1-CD 3.79Å; V381-K384 HydrophobicContact CG1-CG 3.99Å; V381-A387 HydrophobicContact CB-CB 3.95Å; V381-A387 HydrophobicContact CG2-CB 4.33Å; V381-A387 PolarHBondContact N-O 3.41Å; V381-K389 HydrophobicContact CG2-CB 3.99Å
382H95.4Very high94.8Very high154 Ų15466.5 Ų66.571%0.71333%0.33SS*.SBendtrans-75.6153.7176.8-74.5-113000110.8K380 K384K380-H382 PolarHBondContact O-CD2 3.01Å; K380-H382 PolarHBondContact O-N 2.98Å; H382-K384 PolarHBondContact O-N 2.72Å; H382-K384 VanDerWaalsContact O-N 3.11Å
383G95.6Very high94.2Very high92 Ų9272 Ų7295%0.94836%0.356SS*.SBendtrans79.6-32.5-173.800000115
384K94.9Very high93.6Very high66 Ų6669 Ų6929%0.28735%0.345SS..SBendtrans-88.1148.5174.7-66.2-171.9-172.8-179.70112.5E333 E338 V381 H382 A387E333-K384 PolarHBondContact O-NZ 2.92Å; E333-K384 VanDerWaalsContact O-NZ 3.08Å; E333-K384 WeakPolarHBondContact OE1-CD 3.35Å; E333-K384 WeakPolarHBondContact OE1-CE 3.16Å; E333-K384 IonicContact OE1-NZ 3.57Å; E333-K384 PolarHBondContact OE1-NZ 2.54Å; E338-K384 IonicContact OE2-NZ 2.69Å; E338-K384 PolarHBondContact OE2-NZ 2.64Å; V381-K384 HydrophobicContact CB-CD 4.5Å; V381-K384 HydrophobicContact CG1-CB 4.19Å; V381-K384 HydrophobicContact CG1-CD 3.79Å; V381-K384 HydrophobicContact CG1-CG 3.99Å; H382-K384 PolarHBondContact O-N 2.72Å; H382-K384 VanDerWaalsContact O-N 3.11Å; K384-A387 HydrophobicContact CB-CB 3.51Å; K384-A387 HydrophobicContact CD-CB 3.85Å; K384-A387 HydrophobicContact CG-CB 4.35Å
385R96.8Very high93.2Very high191 Ų19162.2 Ų62.272%0.72131%0.309SS*.SBendtrans-83.8139.3169-75.4-177.167.5-165.22.5110.2A387R385-A387 PolarHBondContact O-N 3.01Å
386Y98.1Very high92.7Very high72 Ų7258.4 Ų58.428%0.28230%0.302SS..SBendtrans51.324.2174.7-46.9-57.1000115.7K340 M341 P344 Y362K340-Y386 WeakPolarHBondContact CA-O 3.49Å; M341-Y386 PolarHBondContact N-O 3.09Å; M341-Y386 WeakPolarHBondContact O-CB 3.32Å; P344-Y386 HydrophobicContact CB-CD1 4.16Å; P344-Y386 HydrophobicContact CB-CE1 4.39Å; P344-Y386 HydrophobicContact CB-CG 4.28Å; P344-Y386 HydrophobicContact CG-CD1 4.16Å; P344-Y386 HydrophobicContact CG-CD2 4.02Å; P344-Y386 HydrophobicContact CG-CE1 4.05Å; P344-Y386 HydrophobicContact CG-CE2 3.92Å; P344-Y386 HydrophobicContact CG-CG 4.15Å; Y362-Y386 HydrophobicContact CD1-CE1 4.23Å; Y362-Y386 AromaticContact CE1-CD1 3.82Å; Y362-Y386 HydrophobicContact CE1-CD1 3.82Å; Y362-Y386 AromaticContact CE1-CE1 3.7Å; Y362-Y386 HydrophobicContact CE1-CE1 3.7Å; Y362-Y386 HydrophobicContact CE2-CD1 4.24Å; Y362-Y386 AromaticContact CZ-CD1 3.61Å
387A97.6Very high92.1Very high1 Ų160.3 Ų60.31%0.00831%0.308CS..EExtended strand (participates in β ladder)trans-107.8139.8-176.300000112.2F339 K340 V381 K384 R385F339-A387 CarbonylContact O-C 3.59Å; F339-A387 VanDerWaalsContact O-CA 3.24Å; F339-A387 WeakPolarHBondContact O-CA 3.34Å; K340-A387 HydrophobicContact CB-CB 4.41Å; V381-A387 HydrophobicContact CB-CB 3.95Å; V381-A387 HydrophobicContact CG2-CB 4.33Å; V381-A387 PolarHBondContact N-O 3.41Å; K384-A387 HydrophobicContact CB-CB 3.51Å; K384-A387 HydrophobicContact CD-CB 3.85Å; K384-A387 HydrophobicContact CG-CB 4.35Å; R385-A387 PolarHBondContact O-N 3.01Å
388Y97.9Very high91.4Very high6 Ų661.3 Ų61.32%0.02432%0.317CS..EExtended strand (participates in β ladder)trans-142.6155.4-170.7-70-87000109E338 F339 Y362 L369 Y373 T379 K380E338-Y388 WeakPolarHBondContact CA-O 3.42Å; F339-Y388 WeakPolarHBondContact CD1-O 3.47Å; F339-Y388 HydrophobicContact CE2-CD2 4.46Å; F339-Y388 VanDerWaalsContact CZ-CB 3.46Å; F339-Y388 HydrophobicContact CZ-CG 4.27Å; F339-Y388 PolarHBondContact N-O 2.84Å; F339-Y388 PolarHBondContact O-N 3.08Å; Y362-Y388 PolarHBondContact OH-OH 3.37Å; Y362-Y388 VanDerWaalsContact OH-OH 3.08Å; L369-Y388 HydrophobicContact CB-CE1 4.02Å; L369-Y388 HydrophobicContact CD1-CD1 4.18Å; L369-Y388 HydrophobicContact CD1-CD2 4.06Å; L369-Y388 HydrophobicContact CD1-CE1 3.75Å; L369-Y388 HydrophobicContact CD1-CE2 3.63Å; L369-Y388 HydrophobicContact CD1-CG 4.33Å; L369-Y388 VanDerWaalsContact CD1-CZ 3.46Å; Y373-Y388 HydrophobicContact CE1-CE1 4.47Å; T379-Y388 CarbonylContact O-C 3.47Å; T379-Y388 WeakPolarHBondContact O-CA 3.36Å; K380-Y388 HydrophobicContact CB-CD1 4.42Å; K380-Y388 HydrophobicContact CB-CE1 4.37Å; K380-Y388 HydrophobicContact CG-CD1 4.5Å; K380-Y388 HydrophobicContact CG-CE1 4.24Å
389K95.5Very high90.5Very high61 Ų6164.1 Ų64.127%0.26533%0.332SS..EExtended strand (participates in β ladder)trans-129.6119.7-177.8-178.9164.1-172.7157.60110.5T335 N336 G337 E338 M378 T379 V381T335-K389 PolarHBondContact OG1-NZ 2.98Å; N336-K389 WeakPolarHBondContact O-CE 3.28Å; N336-K389 PolarHBondContact O-NZ 3.27Å; G337-K389 CarbonylContact O-C 3.56Å; G337-K389 VanDerWaalsContact O-CA 3.31Å; G337-K389 WeakPolarHBondContact O-CA 3.42Å; E338-K389 HydrophobicContact CG-CB 4.07Å; E338-K389 HydrophobicContact CG-CD 3.83Å; E338-K389 HydrophobicContact CG-CG 4.08Å; M378-K389 CarbonylContact C-O 3.57Å; M378-K389 WeakPolarHBondContact CA-O 3.3Å; M378-K389 VanDerWaalsContact CB-O 3.31Å; M378-K389 WeakPolarHBondContact CB-O 3.39Å; T379-K389 PolarHBondContact N-O 2.89Å; T379-K389 PolarHBondContact O-N 3.08Å; V381-K389 HydrophobicContact CG2-CB 3.99Å
390F94.8Very high89.4Confident6 Ų665.5 Ų65.53%0.02633%0.334CS..EExtended strand (participates in β ladder)trans-66.3142.4169.8-70.5-78.8000110.6W314 L317 L318 L321 W332 G337 F339 M378 I395W314-F390 HydrophobicContact CB-CE1 4.27Å; L317-F390 HydrophobicContact CB-CZ 4.15Å; L318-F390 HydrophobicContact CD1-CE1 4.43Å; L318-F390 HydrophobicContact CD2-CD2 3.94Å; L318-F390 HydrophobicContact CD2-CE1 4.15Å; L318-F390 HydrophobicContact CD2-CE2 3.52Å; L318-F390 HydrophobicContact CD2-CG 4.42Å; L318-F390 HydrophobicContact CD2-CZ 3.64Å; L318-F390 HydrophobicContact CG-CE1 3.95Å; L318-F390 HydrophobicContact CG-CE2 4.08Å; L318-F390 HydrophobicContact CG-CZ 3.64Å; L321-F390 HydrophobicContact CD1-CE2 4.02Å; W332-F390 AromaticContact CH2-CD2 3.7Å; W332-F390 HydrophobicContact CH2-CD2 3.7Å; W332-F390 AromaticContact CH2-CE2 3.7Å; W332-F390 HydrophobicContact CH2-CE2 3.7Å; W332-F390 AromaticContact CZ3-CD2 3.84Å; W332-F390 HydrophobicContact CZ3-CD2 3.84Å; W332-F390 HydrophobicContact CZ3-CE2 4.1Å; G337-F390 PolarHBondContact O-N 3.09Å; F339-F390 AromaticContact CD1-CD2 3.64Å; F339-F390 HydrophobicContact CD1-CD2 3.64Å; F339-F390 AromaticContact CD1-CE2 3.42Å; F339-F390 HydrophobicContact CD1-CE2 3.42Å; F339-F390 VanDerWaalsContact CD1-CE2 3.42Å; F339-F390 HydrophobicContact CD1-CZ 4.37Å; F339-F390 AromaticContact CE1-CD2 3.55Å; F339-F390 HydrophobicContact CE1-CD2 3.55Å; F339-F390 HydrophobicContact CE1-CE1 4.49Å; F339-F390 AromaticContact CE1-CE2 3.2Å; F339-F390 HydrophobicContact CE1-CE2 3.2Å; F339-F390 HydrophobicContact CE1-CG 4.34Å; F339-F390 AromaticContact CE1-CZ 3.75Å; F339-F390 HydrophobicContact CE1-CZ 3.75Å; F339-F390 HydrophobicContact CG-CE2 4.38Å; F339-F390 HydrophobicContact CZ-CE2 4.01Å; F339-F390 HydrophobicContact CZ-CZ 4.19Å; M378-F390 HydrophobicContact CB-CD1 4.35Å; M378-F390 HydrophobicContact CE-CD1 4.12Å; M378-F390 HydrophobicContact CE-CE1 3.59Å; M378-F390 HydrophobicContact CE-CZ 4.19Å; F390-I395 HydrophobicContact CD1-CD1 3.91Å; F390-I395 HydrophobicContact CD1-CG1 4.29Å; F390-I395 HydrophobicContact CE1-CD1 4.36Å
391D91.4Very high87.6Confident41 Ų4165.9 Ų65.922%0.21935%0.346CS..  trans-108115.1166.6170.613.1000108.4N376 I377 H393 G394 I395N376-D391 VanDerWaalsContact O-CB 3.27Å; N376-D391 WeakPolarHBondContact O-CB 3.25Å; I377-D391 PolarHBondContact O-N 2.96Å; I377-D391 VanDerWaalsContact O-N 3.12Å; D391-H393 PolarHBondContact O-N 2.86Å; D391-H393 IonicContact OD1-CE1 2.71Å; D391-H393 IonicContact OD1-CG 3.84Å; D391-H393 PolarHBondContact OD1-N 3.19Å; D391-H393 IonicContact OD1-ND1 3.01Å; D391-H393 PolarHBondContact OD1-ND1 2.72Å; D391-G394 PolarHBondContact O-N 2.88Å; D391-I395 WeakPolarHBondContact O-CG1 3.44Å; D391-I395 PolarHBondContact O-N 3.03Å
392F84.8Confident85.2Confident58 Ų5872.2 Ų72.225%0.25437%0.374SS..Hα-helixtrans-66.8-21.7-173.5-67.4-29.1000113.7P292 Y293 L296 A396P292-F392 HydrophobicContact CB-CE2 4.38Å; P292-F392 HydrophobicContact CB-CZ 4.43Å; Y293-F392 HydrophobicContact CD1-CE1 4.35Å; Y293-F392 HydrophobicContact CD1-CZ 4.06Å; Y293-F392 AromaticContact CE1-CE1 3.56Å; Y293-F392 HydrophobicContact CE1-CE1 3.56Å; Y293-F392 HydrophobicContact CE1-CE2 4.2Å; Y293-F392 AromaticContact CE1-CZ 3.16Å; Y293-F392 HydrophobicContact CE1-CZ 3.16Å; Y293-F392 AromaticContact CZ-CZ 3.39Å; Y293-F392 WeakPolarHBondContact OH-CE2 3.31Å; Y293-F392 WeakPolarHBondContact OH-CZ 3.34Å; L296-F392 HydrophobicContact CD1-CD1 3.66Å; L296-F392 HydrophobicContact CD1-CE1 3.1Å; L296-F392 HydrophobicContact CD1-CE2 4.43Å; L296-F392 HydrophobicContact CD1-CG 4.49Å; L296-F392 HydrophobicContact CD1-CZ 3.51Å; F392-A396 VanDerWaalsContact O-CB 3.26Å; F392-A396 WeakPolarHBondContact O-CB 3.31Å; F392-A396 PolarHBondContact O-N 3.35Å
393H83.6Confident82.5Confident141 Ų14169.6 Ų69.665%0.65337%0.37SS*.Hα-helixtrans-72.4-46.5179.3-52.890.7000111D391 A396 Q397D391-H393 PolarHBondContact O-N 2.86Å; D391-H393 IonicContact OD1-CE1 2.71Å; D391-H393 IonicContact OD1-CG 3.84Å; D391-H393 PolarHBondContact OD1-N 3.19Å; D391-H393 IonicContact OD1-ND1 3.01Å; D391-H393 PolarHBondContact OD1-ND1 2.72Å; H393-A396 PolarHBondContact O-N 3.05Å; H393-Q397 WeakPolarHBondContact O-CG 3.27Å; H393-Q397 PolarHBondContact O-N 2.88Å
394G83.9Confident79.9Confident2 Ų271.5 Ų71.52%0.02137%0.366CS..Hα-helixtrans-75.7-26174.700000113.3N376 D391 Q397 A398N376-G394 WeakPolarHBondContact O-CA 3.35Å; N376-G394 PolarHBondContact O-N 3.06Å; D391-G394 PolarHBondContact O-N 2.88Å; G394-Q397 PolarHBondContact O-N 3.21Å; G394-A398 VanDerWaalsContact O-CB 3.25Å; G394-A398 WeakPolarHBondContact O-CB 3.2Å; G394-A398 PolarHBondContact O-N 3.45Å
395I85.1Confident77Confident5 Ų576.5 Ų76.53%0.02639%0.391CS..Hα-helixtrans-60.6-51.7164.4-68.6-74.9000110W314 I377 F390 D391 Q397 A398 L399W314-I395 HydrophobicContact CD2-CD1 3.89Å; W314-I395 HydrophobicContact CE3-CD1 3.39Å; W314-I395 HydrophobicContact CG-CD1 4.45Å; W314-I395 HydrophobicContact CZ3-CD1 3.78Å; W314-I395 HydrophobicContact CZ3-CG2 4.23Å; I377-I395 HydrophobicContact CG2-CD1 3.94Å; F390-I395 HydrophobicContact CD1-CD1 3.91Å; F390-I395 HydrophobicContact CD1-CG1 4.29Å; F390-I395 HydrophobicContact CE1-CD1 4.36Å; D391-I395 WeakPolarHBondContact O-CG1 3.44Å; D391-I395 PolarHBondContact O-N 3.03Å; I395-Q397 PolarHBondContact O-N 3.32Å; I395-A398 CarbonylContact O-C 3.41Å; I395-A398 WeakPolarHBondContact O-CA 3.47Å; I395-A398 PolarHBondContact O-N 3.17Å; I395-L399 WeakPolarHBondContact O-CG 3.41Å; I395-L399 PolarHBondContact O-N 3.34Å
396A80.6Confident74.3Confident53 Ų5372.3 Ų72.344%0.43839%0.391SS..Hα-helixtrans-59.8-32.9179.300000113F392 H393F392-A396 VanDerWaalsContact O-CB 3.26Å; F392-A396 WeakPolarHBondContact O-CB 3.31Å; F392-A396 PolarHBondContact O-N 3.35Å; H393-A396 PolarHBondContact O-N 3.05Å
397Q81.2Confident71.5Confident129 Ų12974.6 Ų74.660%0.60342%0.417SS*.Hα-helixtrans-70.4-41.4170.5-68.3170.623.500112.3H393 G394 I395 L399 Q400H393-Q397 WeakPolarHBondContact O-CG 3.27Å; H393-Q397 PolarHBondContact O-N 2.88Å; G394-Q397 PolarHBondContact O-N 3.21Å; I395-Q397 PolarHBondContact O-N 3.32Å; Q397-L399 PolarHBondContact O-N 2.94Å; Q397-Q400 WeakPolarHBondContact O-CB 3.46Å; Q397-Q400 PolarHBondContact O-N 2.98Å
398A76.5Confident68.5Low29 Ų2981.7 Ų81.724%0.2445%0.454CS..Hα-helixtrans-70.4-9.2176.300000114.3W314 I377 G394 I395W314-A398 HydrophobicContact CZ2-CB 3.98Å; I377-A398 HydrophobicContact CD1-CB 3.92Å; I377-A398 HydrophobicContact CG1-CB 4.13Å; G394-A398 VanDerWaalsContact O-CB 3.25Å; G394-A398 WeakPolarHBondContact O-CB 3.2Å; G394-A398 PolarHBondContact O-N 3.45Å; I395-A398 CarbonylContact O-C 3.41Å; I395-A398 WeakPolarHBondContact O-CA 3.47Å; I395-A398 PolarHBondContact O-N 3.17Å
399L76.8Confident65.6Low59 Ų5992.4 Ų92.431%0.30950%0.496SS..THydrogen-bonded Turntrans-80.9-22.9167.5-66.7-179.6000113.3L303 W314 I395 Q397L303-L399 HydrophobicContact CD1-CD2 3.11Å; L303-L399 HydrophobicContact CD2-CD2 3.89Å; L303-L399 HydrophobicContact CG-CD2 4.13Å; W314-L399 HydrophobicContact CH2-CD2 3.91Å; I395-L399 WeakPolarHBondContact O-CG 3.41Å; I395-L399 PolarHBondContact O-N 3.34Å; Q397-L399 PolarHBondContact O-N 2.94Å
400Q72Confident62.8Low93 Ų9397.7 Ų97.744%0.43552%0.519SS..SBendtrans-71.9134.9-175.8-65.6-69.5-91.500110.6Q397 H402Q397-Q400 WeakPolarHBondContact O-CB 3.46Å; Q397-Q400 PolarHBondContact O-N 2.98Å; Q400-H402 PolarHBondContact O-N 2.8Å
401P59.1Low60.1Low101 Ų101107.2 Ų107.266%0.65656%0.556SS**  trans-67.2107.4175.327.6-33000109.2
402H48.1Very low57.7Low157 Ų157111.3 Ų111.373%0.72759%0.585SS**  trans-58.4131.5169.8-68.3-59.4000109.4Q400Q400-H402 PolarHBondContact O-N 2.8Å
403P39Very low55.6Low98 Ų98112.6 Ų112.664%0.63660%0.601SS**  trans-59.7152.8170.126.8-34000109.9E405P403-E405 PolarHBondContact O-N 2.7Å
404P40.9Very low53.6Low132 Ų132113.2 Ų113.286%0.85761%0.61SS**SBendtrans-76.243.6-168.132-37.5000114.8
405E33.1Very low51.7Low172 Ų172121.2 Ų121.280%0.80465%0.651SS**  trans-129.5103.1177.4-65.9-168.717200110.9P403P403-E405 PolarHBondContact O-N 2.7Å
406S39.4Very low49.8Very low103 Ų103126.5 Ų126.572%0.7269%0.686SS**SBendtrans168.9-21.5158.740.10000113.6L408S406-L408 VanDerWaalsContact C-N 3.26Å; S406-L408 PolarHBondContact O-N 3.11Å
407S40.2Very low48Very low120 Ų120134.6 Ų134.684%0.83971%0.706SS**  trans-74.5-7-175.753.70000115.1Y409S407-Y409 PolarHBondContact O-N 3.08Å
408L34.3Very low46.3Very low150 Ų150136.9 Ų136.979%0.78572%0.719SS**  trans-83.253.9178.2-163.571.2000112.7S406 K410S406-L408 VanDerWaalsContact C-N 3.26Å; S406-L408 PolarHBondContact O-N 3.11Å; L408-K410 HydrophobicContact CD1-CB 4.19Å; L408-K410 HydrophobicContact CG-CB 4.27Å; L408-K410 PolarHBondContact O-N 2.72Å
409Y37.4Very low44.7Very low230 Ų230137.7 Ų137.790%0.90273%0.731SS**  trans-77.263.1163.2-117.1-83.4000110.1S407S407-Y409 PolarHBondContact O-N 3.08Å
410K37.2Very low42.8Very low172 Ų172140.1 Ų140.175%0.74875%0.753SS**  trans-81119.8175.8-161.6175.1-174.7-178.10108.2L408 P412L408-K410 HydrophobicContact CD1-CB 4.19Å; L408-K410 HydrophobicContact CG-CB 4.27Å; L408-K410 PolarHBondContact O-N 2.72Å; K410-P412 WeakPolarHBondContact O-CD 2.92Å
411Y37.3Very low41.2Very low206 Ų206146.1 Ų146.181%0.80877%0.773SS**  trans-54.6124.7-176.1-149.5-92.9000110.8S413Y411-S413 PolarHBondContact O-N 2.88Å
412P40.4Very low40.3Very low127 Ų127150.6 Ų150.683%0.82579%0.785SS**  trans-72.889.8176.2-18.232.9000110.9K410K410-P412 WeakPolarHBondContact O-CD 2.92Å
413S41.8Very low39.9Very low86 Ų86147.7 Ų147.760%0.60179%0.787SS**  trans-88.9122.6166.6-650000109.8Y411Y411-S413 PolarHBondContact O-N 2.88Å
414D40.5Very low39.9Very low154 Ų154149.8 Ų149.882%0.82479%0.788SS**  trans58.690.7156.7-48.9-53.3000118.7
415L45.2Very low40Very low170 Ų170149.2 Ų149.289%0.8979%0.785SS**  trans-138138.5147.7-94.8170.4000109.5
416P45.5Very low40.7Very low116 Ų116148.8 Ų148.875%0.75378%0.783SS**  trans-85.8130.1-16232-35.1000114M418P416-M418 PolarHBondContact O-N 3.21Å
417Y41.3Very low41Very low222 Ų222153.3 Ų153.387%0.87179%0.789SS**  trans-84.992.9167.8-170.5-91.2000110.8
418M47.1Very low41.2Very low177 Ų177155.6 Ų155.687%0.87279%0.789SS**  trans-12283.4158.8-76-144.374.600110.2P416 S420P416-M418 PolarHBondContact O-N 3.21Å; M418-S420 PolarHBondContact O-N 2.69Å
419G41.3Very low41.7Very low47 Ų47156.1 Ų156.149%0.48579%0.793SS.*  trans-65.4123.1165.400000110.5Y421G419-Y421 PolarHBondContact O-N 3.23Å
420S37.3Very low42.2Very low110 Ų110153.5 Ų153.577%0.76979%0.786SS**  trans-80.4100.8-168.1168.10000114.1M418M418-S420 PolarHBondContact O-N 2.69Å
421Y38.3Very low43.2Very low218 Ų218152 Ų15286%0.85579%0.791SS**  trans-149.890.7165.9-64.2-70.2000114.2G419G419-Y421 PolarHBondContact O-N 3.23Å
422H41.3Very low43.7Very low196 Ų196146 Ų14691%0.90779%0.785SS**  trans175.5163.5135.3-101.5-28000114.3
423A39.9Very low44.4Very low95 Ų95145.3 Ų145.379%0.78578%0.78SS**  trans63.4151.1-171.900000114
424H37.5Very low44.9Very low142 Ų142150.1 Ų150.166%0.65779%0.792SS**  cis-150.6137.48-165.80.1000110.4Q426H424-Q426 PolarHBondContact CE1-NE2 2.61Å; H424-Q426 PolarHBondContact NE2-NE2 3.39Å
425P43.9Very low45.6Very low120 Ų120148.3 Ų148.378%0.77979%0.789SS**  trans-98.611316833.2-29.7000111.6
426Q47.6Very low45.9Very low163 Ų163146.4 Ų146.476%0.76279%0.787SS**  trans-137.7161.8166.7-71.8-160-8.100112.2H424H424-Q426 PolarHBondContact CE1-NE2 2.61Å; H424-Q426 PolarHBondContact NE2-NE2 3.39Å
427K45.1Very low46.1Very low198 Ų198145.3 Ų145.386%0.86179%0.787SS**  trans-95.7143.5-162.1-71.5177.6177.2177.20113.4
428M45.5Very low46.7Very low168 Ų168142.4 Ų142.483%0.82879%0.786SS**  trans34.3113.6143.2-48.2-58.1-170.100118.8
429N44.5Very low46.9Very low162 Ų162139.4 Ų139.487%0.86678%0.78SS**  -158.4164.9114.3-125.410.4000114.7
430F48.8Very low47.4Very low175 Ų175144.3 Ų144.377%0.76880%0.8SS**  trans-87.8168.9-166.5-85.7-109.6000116
431V57.2Low47.7Very low139 Ų139145.3 Ų145.384%0.84280%0.802SS**  trans61.3147.5157.3-71.10000119.6
432A48.9Very low47.9Very low82 Ų82140 Ų14068%0.67880%0.796SS**  cis-161163.8-15.900000111
433P53.6Low48Very low111 Ų111135.6 Ų135.672%0.72179%0.788SS**  trans-119.6142.8-172.139.1-26.7000116.6
434H52.7Low48.1Very low187 Ų187136.2 Ų136.287%0.86679%0.787SS**  trans-153.1164.8179.2-83.8-45.9000111.3
435P55.4Low48.7Very low117 Ų117138.5 Ų138.576%0.7680%0.795SS**  -127.6178.7-11028.4-4.8000116.9
436P52.1Low49Very low129 Ų129142.2 Ų142.284%0.83880%0.799SS**  trans-99.1160.6-176.838.2-35.7000116.3
437A49.8Very low48.5Very low93 Ų93139.2 Ų139.277%0.76980%0.803SS**  trans-163.5158.9173.400000109.7
438L54Low48.2Very low162 Ų162134.3 Ų134.385%0.84880%0.799SS**  cis-160.2148.7-18.1-105172.2000107.4
439P50.5Low48.4Very low113 Ų113132.4 Ų132.473%0.73480%0.799SS**  trans-94.6156.3-17836.8-33.9000114.3
440V52.3Low48.1Very low150 Ų150132.4 Ų132.491%0.90980%0.799SS**  trans-143.7160.3170.4-90.60000111.2
441T42.1Very low48Very low131 Ų131129.2 Ų129.280%0.80480%0.796SS**  trans-128.8171.6-165.653.10000113.8
442S43.8Very low47.1Very low106 Ų106133.5 Ų133.574%0.74180%0.799SS**  trans103.8157.3148.682.70000120.8
443S43.7Very low47.2Very low104 Ų104141.5 Ų141.573%0.72781%0.811SS**  trans68.4117.2170.558.20000120.1
444S40.8Very low46.7Very low109 Ų109142.4 Ų142.476%0.76281%0.81SS**  trans-90148.1173.41.10000112.2
445F50.7Low46.1Very low190 Ų190138.3 Ų138.383%0.83380%0.802SS**  trans-145166.5156.8-77.1-64.8000112.5
446F49.3Very low46Very low197 Ų197137.8 Ų137.886%0.86480%0.799SS**  trans-75.1165.6-152.6-78.4-100.5000119.2
447A37.9Very low45.6Very low101 Ų101138.5 Ų138.584%0.83580%0.801SS**  trans87.2148.914400000120.1
448A38.6Very low45.2Very low95 Ų95137.8 Ų137.879%0.78580%0.803SS**  trans-132.8147.1173.100000109.9
449P49.6Very low44.8Very low127 Ų127133.5 Ų133.583%0.82580%0.798SS**  trans-124.7167158.536.2-23.9000113.2
450N38Very low44.4Very low163 Ų163135 Ų13587%0.87280%0.798SS**  trans-73.9163-175.4-92.9-1.2000114.6
451P46.6Very low44.1Very low108 Ų108138.5 Ų138.570%0.70180%0.797SS**  trans-88.6146.9-171.135-36000114.4
452Y38.1Very low44.6Very low229 Ų229138 Ų13890%0.89880%0.795SS**  trans-156.7132154.1-110.9-81.6000109.3
453W52.6Low44.5Very low250 Ų250139.3 Ų139.395%0.94780%0.795SS**  trans-116.9156.5162.6-90.5108000109.9
454N42.8Very low44.6Very low129 Ų129139.5 Ų139.569%0.6979%0.791SS**  trans-138.3130.9-139-162.91.6000113.2
455S40.6Very low44.7Very low101 Ų101144.4 Ų144.471%0.70679%0.793SS**  trans64.9-177.3148.5-76.10000117.2
456P52.9Low44.6Very low106 Ų106142.6 Ų142.669%0.68879%0.792SS**  cis-133.5152-0.521.63.8000119.3
457T43.8Very low44.7Very low144 Ų144138.3 Ų138.388%0.88378%0.783SS**  trans58.4138.5138.461.60000125.2
458G40.5Very low45.1Very low78 Ų78139.1 Ų139.180%0.80478%0.778SS**  trans152.1104.4134.300000120
459G45.1Very low45.6Very low73 Ų73139.7 Ų139.775%0.75378%0.776SS**  trans70.5126.4162.700000117.1
460I43Very low45.5Very low144 Ų144141 Ų14174%0.73877%0.771SS**  cis7792.930.3-45.7178.2000115.3
461Y45.5Very low46.2Very low224 Ų224141 Ų14188%0.87877%0.768SS**  163.8139.8124.5-88.5-62000112.2
462P53.6Low46.3Very low119 Ų119140.7 Ų140.777%0.77377%0.766SS**  trans-118.3-178.1-179.442.3-33.8000115.7
463N40.4Very low46.6Very low135 Ų135135.6 Ų135.672%0.72276%0.764SS**  trans90.8110.7156.2-167.118.2000119.4
464T45.8Very low46.5Very low108 Ų108131.6 Ų131.666%0.66376%0.755SS**  177.2137.3108.538.70000115
465R44.1Very low46.8Very low211 Ų211133 Ų13380%0.79676%0.762SS**  trans35.4145.9130-51.2-179-169.3-1331.9120.7
466L47.4Very low47.4Very low153 Ų153131.5 Ų131.580%0.80176%0.763SS**  cis-162.3172.1-5.2-133.189.7000108.5
467P52.3Low47.1Very low106 Ų106132.9 Ų132.969%0.68877%0.77SS**  trans-113.4-179.3-174.642.1-33.9000115.8
468T46.5Very low47.7Very low118 Ų118135.8 Ų135.872%0.72477%0.766SS**  trans144.4119135.1-60.10000116.7
469S47.9Very low48.5Very low107 Ų107146 Ų14675%0.74878%0.782SS**  trans165.8134.7145.155.20000109.6
470H47.3Very low48.6Very low154 Ų154149.6 Ų149.671%0.71378%0.783SS**  71.1128.850.8-65.9-44.1000112.9
471M53.8Low48.9Very low164 Ų164149.9 Ų149.981%0.80879%0.786SS**  cis-155-179.712.8-99.7-88.9171.700111.5
472P48.7Very low49.1Very low101 Ų101145.8 Ų145.866%0.65678%0.78SS**  trans-115.7176.7-159.744.4-38.9000118.5
473S44.6Very low48.9Very low123 Ų123147.4 Ų147.486%0.8678%0.781SS**  trans55.8118.6147.9-61.50000123
474H49.2Very low49.4Very low165 Ų165148.1 Ų148.176%0.76479%0.785SS**  trans-141.4135.8145.696.9-31.1000109
475L50.4Low49.6Very low158 Ų158150.8 Ų150.883%0.82779%0.793SS**  55.9133.6101.8-69.6162.6000115.1
476G52.1Low50Low71 Ų71146.5 Ų146.573%0.73279%0.792SS**  cis-178.3171-3.400000112.7
477T47.4Very low50.2Low135 Ų135146 Ų14683%0.82879%0.792SS**  trans-78.1137.6178.9-51.50000112.2
478Y55.9Low50Low205 Ų205149.3 Ų149.380%0.80480%0.8SS**  trans-157.8134.4153.7-110.9-74.4000111.9
479Y56.9Low50.4Low291 Ų291152.2 Ų152.2100%1.14181%0.807SS**  trans680-178.1-70-81000117.5

Retrieved 479 of 479 residues in 365.1 ms (Link to these results)