A0A077Z876_TRITR Loading...

RRM 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z876, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 278 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.1Low65.6Low241 Ų241161.8 Ų161.8100%1.18786%0.862SS**  0134.90-78.8-172.5150.200108.1
2A51.8Low65.9Low97 Ų97158.3 Ų158.380%0.80286%0.859SS**  trans-66.3127.5-156.600000114.7
3S65.1Low65.6Low120 Ų120152.8 Ų152.884%0.83985%0.849SS**  trans-92.4120.4167.2-57.10000109
4V66Low65.2Low135 Ų135149.6 Ų149.682%0.81884%0.842SS**  trans-111.6105177.9-144.80000108
5S69Low64.8Low121 Ų121151.1 Ų151.185%0.84685%0.847SS**  trans-86.8113.1174.9-59.90000109.3
6R76.7Confident64.3Low245 Ų245147.7 Ų147.793%0.92584%0.844SS**  trans-95.3123.4167.4-98.2-179.2174.4178.1-2109.2
7H71.2Confident64Low178 Ų178145.8 Ų145.882%0.82484%0.842SS**  trans-97.8120.2174.9-153.2-87.1000107.6S9H7-S9 PolarHBondContact CE1-OG 3.12Å; H7-S9 VanDerWaalsContact CE1-OG 3.3Å; H7-S9 PolarHBondContact ND1-OG 3.48Å; H7-S9 VanDerWaalsContact ND1-OG 3.09Å
8E55.7Low63.8Low190 Ų190143.8 Ų143.889%0.88884%0.838SS**  trans-120.1123.9175.1-158.3155.799.300107.6
9S72.3Confident63.6Low79 Ų79145.3 Ų145.355%0.55284%0.842SS**  trans-144.2100.1-175.5-500000110.8H7H7-S9 PolarHBondContact CE1-OG 3.12Å; H7-S9 VanDerWaalsContact CE1-OG 3.3Å; H7-S9 PolarHBondContact ND1-OG 3.48Å; H7-S9 VanDerWaalsContact ND1-OG 3.09Å
10K67.8Low63.2Low201 Ų201143.7 Ų143.787%0.87484%0.84SS**  trans41.697.5135.5-65178.8177.5174.20117.9
11D71.2Confident62.7Low173 Ų173140.6 Ų140.693%0.92584%0.838SS**  trans-75.7125.8155.9-70.3-51.3000110.5
12S68.6Low62.6Low119 Ų119135 Ų13583%0.83282%0.823SS**  trans-104.8122.5178.724.50000110.8
13A61.7Low62.7Low88 Ų88133.7 Ų133.773%0.72782%0.819SS**  trans8.8127.215100000121.1
14S60.1Low62.1Low108 Ų108133.3 Ų133.376%0.75582%0.816SS**  trans55.3111.8130.766.50000119.7
15N60.2Low61.3Low171 Ų171132 Ų13291%0.91481%0.813SS**  trans-128.6110.7146.3-98.1-31.9000110.2
16A56.8Low60.8Low97 Ų97131.2 Ų131.280%0.80281%0.808SS**  trans-74.2139.3170.500000110.4
17S58Low59.6Low116 Ų116126.9 Ų126.981%0.81180%0.803SS**  trans-149.591.7153.248.40000109.3
18S60.6Low59.1Low110 Ų110123.5 Ų123.577%0.76980%0.799SS**  trans-71.7118.5164.948.30000109
19N60.7Low58.9Low171 Ų171123.4 Ų123.491%0.91480%0.799SS**  trans-109.587.1169.6-126.846.9000108.3
20S54.5Low58.3Low114 Ų114126.3 Ų126.380%0.79781%0.813SS**  trans-86.4105.1166.741.70000108.8
21G52.9Low57.4Low78 Ų78120 Ų12080%0.80481%0.805SS**  trans-10597.6169.800000109.8
22S54.2Low56.4Low124 Ų124117.4 Ų117.487%0.86780%0.801SS**  trans-73.3140.7164.644.40000109.9
23G53.3Low55.7Low70 Ų70116.1 Ų116.172%0.72279%0.792SS**  trans-171.581.1-178.200000114.4
24S53.2Low55Low111 Ų111120.2 Ų120.278%0.77680%0.796SS**  trans52108.1149.5640000120.2
25S49.2Very low54.6Low107 Ų107121.7 Ų121.775%0.74880%0.801SS**  trans-59.7147.215039.80000112
26S57.6Low54.1Low106 Ų106118.9 Ų118.974%0.74179%0.794SS**  trans-151.280.8170.8-53.60000108.2
27D51.9Low53.6Low153 Ų153121 Ų12182%0.81879%0.792SS**  trans-78.7128.6167.3-61.7-58.8000108.5
28S60Low53.3Low107 Ų107120.9 Ų120.975%0.74879%0.791SS**  trans-141.691168.530.80000109.1
29E51.3Low52.7Low189 Ų189120.5 Ų120.588%0.88379%0.789SS**  trans-69.9123162.2-64.4-83.4117.700108.4
30T60.3Low52.3Low139 Ų139124 Ų12485%0.85379%0.789SS**  trans-13712015943.90000108.1
31G49.8Very low52Low68 Ų68124 Ų12470%0.70179%0.789SS**  trans-95.4-156.4-177.500000114.3
32S50.6Low52.2Low119 Ų119126.1 Ų126.183%0.83279%0.791SS**  trans83.2111.2177.3-28.80000111.4
33S52.5Low52.2Low92 Ų92126 Ų12664%0.64379%0.791SS**  116.2115.953.357.30000107.1
34E47.1Very low52.2Low175 Ų175126.6 Ų126.682%0.81880%0.796SS**  trans70.5148.9134.5-56.5-177.2133.500121.6
35T52.7Low52.3Low139 Ų139127.5 Ų127.585%0.85380%0.798SS**  trans109.2134.1153.273.40000117.5
36S48.6Very low52.6Low111 Ų111133.3 Ų133.378%0.77680%0.803SS**  trans-96.3162.8-160.9-0.60000111.7
37D46.8Very low52.5Low142 Ų142133 Ų13376%0.75980%0.801SS**  trans60.2115.7140.6-157.69.8000119.2
38S52Low52.7Low113 Ų113131.1 Ų131.179%0.7980%0.8SS**  trans-170.3110.6135.522.50000111
39S48.5Very low52.3Low102 Ų102130.9 Ų130.971%0.71380%0.804SS**  trans-53.2140.4154.249.50000111.4
40R51.7Low52.4Low245 Ų245127.4 Ų127.493%0.92580%0.801SS**  trans-169.7121.3149.2-102.5150.6-173.2-147.31.3113
41S46.9Very low52.2Low113 Ų113126.5 Ų126.579%0.7980%0.8SS**  trans-49.6148.9168.448.90000115.7
42S58.3Low52.6Low123 Ų123130.4 Ų130.486%0.8681%0.81SS**  trans-157.7134.6136.949.40000112.5
43S53.9Low52.7Low123 Ų123129.5 Ų129.586%0.8681%0.81SS**  trans-69.9152.8-177.948.90000114.5
44G53.1Low52.6Low81 Ų81130.3 Ų130.384%0.83582%0.815SS**  trans-160.188.1166.600000112.5
45T56.1Low52.7Low131 Ų131127 Ų12780%0.80481%0.812SS**  trans-68148.6172.4490000112.6
46R55.7Low53Low229 Ų229125.4 Ų125.486%0.86481%0.806SS**  trans178.9114.5133-99.4164.2147.2-143.5-14.3114
47S54.8Low53.2Low100 Ų100132.5 Ų132.570%0.69982%0.816SS**  32.3139.9128.356.90000119
48S55.4Low53.3Low112 Ų112129.1 Ų129.178%0.78382%0.815SS**  cis170.8162.115.638.40000108.1
49A52.4Low53.3Low102 Ų102130 Ų13084%0.84382%0.815SS**  trans120.5106.8146.100000116.5
50S53.3Low53.6Low116 Ų116132.2 Ų132.281%0.81182%0.818SS**  trans-77.3153.8167.549.80000113.1
51S55.8Low53.6Low121 Ų121128.6 Ų128.685%0.84681%0.812SS**  trans-170117.5135.351.70000110.9
52V59.2Low53.4Low149 Ų149131.5 Ų131.590%0.90381%0.813SS**  trans-95.2140.5164.6-72.10000108.3
53A52.6Low53.1Low101 Ų101130.4 Ų130.484%0.83581%0.805SS**  trans-159.5115.5157.900000109.9
54S49.3Very low53Low108 Ų108134.8 Ų134.876%0.75580%0.803SS**  trans-62.3156.216542.20000112.6
55S50.6Low52.9Low107 Ų107138.8 Ų138.875%0.74880%0.797SS**  171.6122.2124.8-72.10000113.7
56S57.9Low52.5Low105 Ų105139.8 Ų139.873%0.73479%0.791SS**  trans54.3111.9135.159.10000124.3
57R53.2Low52.2Low260 Ų260135.8 Ų135.898%0.98178%0.782SS**  50.7135.4113.3-68.8-178.1169.1150.6-2.6122.9
58G49.4Very low52Low71 Ų71137.8 Ų137.873%0.73279%0.79SS**  trans138.9106.5158.200000109.6
59V52.3Low51.7Low130 Ų130137.3 Ų137.379%0.78879%0.792SS**  cis74.9116.248-172.10000114.7
60L53.4Low51.2Low149 Ų149136.7 Ų136.778%0.7880%0.796SS**  trans64.7148.7166.9-95.982.1000116.1
61E53.2Low50.6Low169 Ų169134.6 Ų134.679%0.7979%0.793SS**  cis-162.915726.2-160.4168.3112.400110.1
62E41.4Very low50.2Low175 Ų175140.5 Ų140.582%0.81880%0.797SS**  trans-87.3133175174.2177.812600110.9
63S53.1Low49.8Very low100 Ų100139.7 Ų139.770%0.69979%0.793SS**  trans-175.9115.6147.9-91.20000115.3
64R50.3Low49.9Very low214 Ų214139.8 Ų139.881%0.80879%0.787SS**  51.1121.7123.2-74.8-176.7175.1-140.7-1.5121.8
65K51.6Low49.8Very low166 Ų166139.9 Ų139.972%0.72279%0.788SS**  77124.3124.6-111.4177.4179.8177.30121
66K46.9Very low49.9Very low152 Ų152140.6 Ų140.666%0.66179%0.793SS**  74.3121.6129.5-99.1-172168.4-158.10120.3
67Q49.9Very low49.5Very low145 Ų145141 Ų14168%0.67879%0.793SS**  60115.7127.3-71174.1-27.500118.5
68T50.5Low49Very low141 Ų141135.9 Ų135.987%0.86578%0.78SS**  trans164.3114.2130.242.90000107.2
69A49.6Very low49Very low102 Ų102142.4 Ų142.484%0.84378%0.783SS**  81.4118.191.600000114.1
70G42.4Very low49.1Very low89 Ų89147.2 Ų147.292%0.91879%0.786SS**  trans106124139.600000118.6
71G40.6Very low49.2Very low73 Ų73146.6 Ų146.675%0.75379%0.791SS**  trans130.377.8161.200000113
72R47.1Very low48.9Very low244 Ų244145.8 Ų145.892%0.92179%0.792SS**  5298.680.5-67.3-170.6120.3-165.82.2115.5
73T51.7Low49.1Very low133 Ų133147.9 Ų147.982%0.81679%0.793SS**  trans-15899.2141.253.50000107.4
74S53.3Low49Very low102 Ų102148 Ų14871%0.71379%0.793SS**  77.4102.595.968.20000115.6
75S48.6Very low49.1Very low111 Ų111144.7 Ų144.778%0.77679%0.792SS**  trans47.7109.3133.560.30000120.5
76S51.8Low48.8Very low122 Ų122148.2 Ų148.285%0.85380%0.801SS**  trans-162.6108.7139.2-155.20000110.5
77P48.6Very low49.1Very low113 Ų113152.3 Ų152.373%0.73481%0.812SS**  trans-93.2172.6160.934-24.1000110.5
78E43.8Very low49.5Very low153 Ų153151.5 Ų151.572%0.71582%0.819SS**  trans89.2104.2175.8-66.4-163.579.300118.4
79R48.9Very low49.8Very low208 Ų208149.6 Ų149.679%0.78581%0.812SS**  159.2113.492.5-104.9154.5-173.1-113.12.2113
80R54.5Low50Low230 Ų230150.8 Ų150.887%0.86881%0.811SS**  trans41.3120.8139.7-64.9-178.6155.3-150.4-6.3120.1N82R80-N82 PolarHBondContact O-N 3Å
81P56.5Low50.3Low136 Ų136158.3 Ų158.388%0.88381%0.811SS**  trans-86.4109.1155.332.8-24.9000109.8
82N45.3Very low50.6Low152 Ų152166.5 Ų166.581%0.81382%0.82SS**  trans-97.899.6163.1-166.821.8000107.9R80R80-N82 PolarHBondContact O-N 3Å
83R47.3Very low51Low220 Ų220160.2 Ų160.283%0.8381%0.813SS**  trans-159.7100.4150.3-137.8167.8-179.4174.7-0.6112.5N85R83-N85 PolarHBondContact O-N 3.15Å
84S50.2Low51.5Low101 Ų101162.7 Ų162.771%0.70681%0.813SS**  trans-41.993.715243.30000112.2
85N51.2Low51.3Low146 Ų146163.2 Ų163.278%0.78181%0.814SS**  trans-114.391.8153.6-91.70.5000107.9R83 R87R83-N85 PolarHBondContact O-N 3.15Å; N85-R87 PolarHBondContact O-N 2.72Å; N85-R87 VanDerWaalsContact O-N 3.16Å
86R46.4Very low51.3Low240 Ų240169.1 Ų169.191%0.90682%0.819SS**  trans-43113.6168.7-80.4174.6164.7-167.4-4.9110.3P88R86-P88 WeakPolarHBondContact O-CD 3.35Å
87R54.2Low51.1Low238 Ų238170.5 Ų170.590%0.89882%0.817SS**PPolyproline II helixtrans-59.1127.3156-86.8175.5154.2-147.3-3.3109.1N85N85-R87 PolarHBondContact O-N 2.72Å; N85-R87 VanDerWaalsContact O-N 3.16Å
88P56.5Low51.7Low127 Ų127171.3 Ų171.383%0.82582%0.819SS**PPolyproline II helixtrans-78127.4160.9-7.825.9000109.4R86R86-P88 WeakPolarHBondContact O-CD 3.35Å
89S56.6Low52Low102 Ų102169.6 Ų169.671%0.71382%0.815SS**PPolyproline II helixtrans-58151.9179.2-47.40000113.8R91S89-R91 PolarHBondContact O-N 3.32Å
90P55Low52Low127 Ų127166.9 Ų166.983%0.82581%0.811SS**  trans-73.3113.5174.430.2-30.1000109.2R92P90-R92 PolarHBondContact O-N 3.03Å
91R48.4Very low51.3Low246 Ų246163.7 Ų163.793%0.92881%0.812SS**  trans-74.796.9168.8-81.4-173.8169.9-140-1.4109S89 S93S89-R91 PolarHBondContact O-N 3.32Å; R91-S93 PolarHBondContact O-N 3.23Å; R91-S93 VanDerWaalsContact O-N 3.13Å
92R47.3Very low50.5Low245 Ų245160.2 Ų160.293%0.92580%0.8SS**  trans-64.895.6161.8-172.5177.1-176.4-148.61.4108.3P90 K94P90-R92 PolarHBondContact O-N 3.03Å; R92-K94 PolarHBondContact O-N 2.97Å
93S56.1Low50.6Low113 Ų113163.3 Ų163.379%0.7981%0.807SS**PPolyproline II helixtrans-73.2119.9170.235.80000109.5R91R91-S93 PolarHBondContact O-N 3.23Å; R91-S93 VanDerWaalsContact O-N 3.13Å
94K62Low50.7Low185 Ų185160.5 Ų160.580%0.80480%0.803SS**PPolyproline II helixtrans-57.9147.9175.6-62176.6173.6-175.50111.3R92R92-K94 PolarHBondContact O-N 2.97Å
95P48.5Very low50.7Low113 Ų113164.5 Ų164.573%0.73481%0.81SS**PPolyproline II helixtrans-70.3136.9164.732.1-30.3000108.3
96R49.5Very low50.6Low234 Ų234168.2 Ų168.288%0.88381%0.813SS**  trans-115.993.7166-77.8-172.5177.5-176.3-1.9106.7V98R96-V98 PolarHBondContact O-N 2.95Å
97D47.6Very low50.4Low151 Ų151165.2 Ų165.281%0.80781%0.809SS**  trans-63.5113.3152-57.9-74.2000106.8
98V59.3Low50.2Low130 Ų130165.3 Ų165.379%0.78881%0.81SS**  trans-128.296.1164179.60000106.5R96R96-V98 PolarHBondContact O-N 2.95Å
99D51.6Low49.7Very low118 Ų118167.7 Ų167.763%0.63181%0.81SS**  trans-65.1148.9167.4-155.9-1.6000110.8
100Q48Very low49.1Very low150 Ų150170.3 Ų170.370%0.70181%0.811SS**  trans54.2134.2150.6-80159.256.300122.4
101N39.9Very low48.9Very low164 Ų164170.5 Ų170.588%0.87781%0.809SS**  trans99.3128.8137.1-103.2-12.7000120.6
102G40.7Very low48.8Very low62 Ų62165 Ų16564%0.63980%0.798SS**  trans95.971.7144.900000116.9E104G102-E104 PolarHBondContact O-N 3Å
103K47.4Very low49Very low218 Ų218158.2 Ų158.295%0.94880%0.795SS**  trans-69.585.3151.3-79.7-178.6176.8177.90107.9
104E49.1Very low48.4Very low161 Ų161163.5 Ų163.575%0.75280%0.799SS**  trans-90.2113.7164.7-79.8-175.916100109.2G102 R106G102-E104 PolarHBondContact O-N 3Å; E104-R106 PolarHBondContact O-N 3.02Å
105E49.9Very low47.6Very low184 Ų184161.4 Ų161.486%0.8680%0.796SS**  trans-61.2106.1167.8-68178.4145.800109.5H107E105-H107 PolarHBondContact O-N 2.92Å
106R48.4Very low47.6Very low225 Ų225159.9 Ų159.985%0.84980%0.801SS**  trans-87.695167.4-69.3-169.1-172.6-143.1-0.2109.1E104 R108E104-R106 PolarHBondContact O-N 3.02Å; R106-R108 PolarHBondContact O-N 3.31Å
107H43.3Very low47.9Very low176 Ų176153.2 Ų153.282%0.81579%0.79SS**  trans-46.6117.9156-100-126.4000109E105E105-H107 PolarHBondContact O-N 2.92Å
108R48.8Very low47.5Very low241 Ų241150.3 Ų150.391%0.90980%0.796SS**  trans-97.199.9171.7-138.8178-160.91663.7106.6R106 Q110R106-R108 PolarHBondContact O-N 3.31Å; R108-Q110 PolarHBondContact O-N 2.94Å
109E46.8Very low47.4Very low176 Ų176149.9 Ų149.982%0.82279%0.793SS**  trans-59.3117.7169.3-80.4178.4140.500109V111E109-V111 PolarHBondContact O-N 3.13Å
110Q44.2Very low47.2Very low157 Ų157153.6 Ų153.673%0.73481%0.807SS**  trans-81.3102.9170.9-177.7163.912.800107.2R108 D112R108-Q110 PolarHBondContact O-N 2.94Å; Q110-D112 PolarHBondContact NE2-OD1 3.23Å
111V50.9Low47.6Very low131 Ų131153 Ų15379%0.79481%0.813SS**  trans-99.696.4169-750000108E109 A113E109-V111 PolarHBondContact O-N 3.13Å; V111-A113 PolarHBondContact O-N 2.7Å
112D45.5Very low48.3Very low130 Ų130149.2 Ų149.270%0.69581%0.805SS**  trans-79.293.2173.2-65.3-40.2000108.7Q110Q110-D112 PolarHBondContact NE2-OD1 3.23Å
113A52.4Low49Very low103 Ų103152.8 Ų152.885%0.85181%0.809SS**  trans-94.8106.2165.900000108.6V111V111-A113 PolarHBondContact O-N 2.7Å
114Y43.5Very low49.6Very low225 Ų225149.6 Ų149.688%0.88280%0.799SS**  trans-81.6119.8169.271.9-80.7000108.2
115D44.8Very low50Low141 Ų141144.5 Ų144.575%0.75479%0.79SS**  trans-124.6136153.594.522000108.7S117D115-S117 PolarHBondContact O-N 2.73Å
116G48.6Very low50.5Low80 Ų80141.4 Ų141.483%0.82578%0.779SS**  trans-75.9107.1-173.100000110.7
117S54.6Low50.9Low95 Ų95140.7 Ų140.766%0.66478%0.777SS**  trans-154.9100.6147.152.40000109.4D115 V119D115-S117 PolarHBondContact O-N 2.73Å; S117-V119 PolarHBondContact O-N 3.17Å; S117-V119 VanDerWaalsContact O-N 3.13Å
118G40.3Very low51.5Low89 Ų89142.8 Ų142.892%0.91878%0.777SS**  trans-67.6106.8-177.100000111.8
119V56.1Low52Low121 Ų121139.7 Ų139.773%0.73377%0.77SS**  trans-136.5109.2158.6-157.30000107.1S117 V121S117-V119 PolarHBondContact O-N 3.17Å; S117-V119 VanDerWaalsContact O-N 3.13Å; V119-V121 WeakPolarHBondContact O-CG2 3.44Å; V119-V121 PolarHBondContact O-N 2.95Å
120E48.5Very low52.4Low197 Ų197137.7 Ų137.792%0.92176%0.759SS**  trans-64.398.3177.5-68-167136.700110.1A122E120-A122 PolarHBondContact O-N 2.84Å
121V56.8Low53.1Low138 Ų138134 Ų13484%0.83674%0.744SS**  trans-85.997168.9-130.40000107.4V119 D123V119-V121 WeakPolarHBondContact O-CG2 3.44Å; V119-V121 PolarHBondContact O-N 2.95Å; V121-D123 PolarHBondContact O-N 3.2Å; V121-D123 VanDerWaalsContact O-N 3.17Å
122A53.5Low53.5Low84 Ų84132.8 Ų132.869%0.69473%0.734SS**  trans-52.4120.217900000111.4E120 M124E120-A122 PolarHBondContact O-N 2.84Å; A122-M124 PolarHBondContact O-N 3.35Å
123D55.4Low54.2Low137 Ų137129.3 Ų129.373%0.73372%0.719SS**  trans-54.4101.4173.4176.545.5000110.9V121 G125V121-D123 PolarHBondContact O-N 3.2Å; V121-D123 VanDerWaalsContact O-N 3.17Å; D123-G125 VanDerWaalsContact C-N 3.27Å; D123-G125 PolarHBondContact OD1-N 2.77Å
124M60.2Low54.4Low151 Ų151131.5 Ų131.574%0.74471%0.705SS**  trans-889.2177.3-84.7-94.8-170.300112.2A122A122-M124 PolarHBondContact O-N 3.35Å
125G58.3Low55Low54 Ų54127.7 Ų127.756%0.55769%0.69SS**SBendtrans-78.7-29.8-170.300000116.1D123D123-G125 VanDerWaalsContact C-N 3.27Å; D123-G125 PolarHBondContact OD1-N 2.77Å
126D59Low55.6Low119 Ų119125.5 Ų125.564%0.63668%0.678SS**G310 helixtrans-95.4-6.4-164.5-160.427000115.5R128D126-R128 VanDerWaalsContact C-N 3.35Å; D126-R128 PolarHBondContact O-N 3.38Å
127R57.1Low56.1Low210 Ų210131.8 Ų131.879%0.79268%0.676SS**G310 helixtrans-78.3-13.9-176.8-69.9-174.4-172.2168.94.7114.9
128R57.3Low56.3Low220 Ų220133.9 Ų133.983%0.8368%0.68SS**G310 helixtrans-84-21.9-174.2-68.6-176-174.9170.93.7114.3D126D126-R128 VanDerWaalsContact C-N 3.35Å; D126-R128 PolarHBondContact O-N 3.38Å
129K57.5Low57Low175 Ų175138.5 Ų138.576%0.76167%0.67SS**Hα-helixtrans-83-17.9-179.1-72.7-178.3178.3176.20114.2
130K56.9Low57.1Low134 Ų134137.1 Ų137.158%0.58367%0.666SS**Hα-helixtrans-81.7-18.8-175.8-160.6166.4-174.2168.90114.3S133 R134K130-S133 PolarHBondContact O-OG 2.99Å; K130-R134 WeakPolarHBondContact O-CG 3.49Å
131D58.2Low57.9Low80 Ų80132.4 Ų132.443%0.42866%0.661SS.*Hα-helixtrans-80.7-36.4-179.8-163.5-4.4000112.1S133 R134 R135D131-S133 PolarHBondContact O-N 3.48Å; D131-R134 PolarHBondContact O-N 3.4Å; D131-R135 WeakPolarHBondContact O-CG 3.47Å; D131-R135 PolarHBondContact O-N 2.76Å; D131-R135 IonicContact OD1-CZ 3.64Å; D131-R135 IonicContact OD1-NE 3.74Å; D131-R135 PolarHBondContact OD1-NE 3.4Å; D131-R135 IonicContact OD1-NH2 3.48Å; D131-R135 PolarHBondContact OD1-NH2 3.41Å; D131-R135 IonicContact OD2-CZ 3.6Å; D131-R135 IonicContact OD2-NE 3.2Å; D131-R135 IonicContact OD2-NH2 2.8Å; D131-R135 PolarHBondContact OD2-NH2 2.76Å
132D60Low58.5Low106 Ų106130.3 Ų130.357%0.56765%0.652SS**Hα-helixtrans-64-43.6178.7-101.8-42.3000112.7R134 R135 D136D132-R134 PolarHBondContact O-N 2.94Å; D132-R135 PolarHBondContact O-N 3.05Å; D132-R135 VanDerWaalsContact O-N 3.15Å; D132-D136 PolarHBondContact O-N 3.38Å
133S59.3Low59.4Low56 Ų56129.5 Ų129.539%0.39264%0.64SS.*Hα-helixtrans-65.9-21.5179.263.90000114.4K130 D131 R137K130-S133 PolarHBondContact O-OG 2.99Å; D131-S133 PolarHBondContact O-N 3.48Å; S133-R137 PolarHBondContact O-N 2.8Å
134R56.2Low60.7Low149 Ų149130 Ų13056%0.56264%0.635SS**Hα-helixtrans-79.4-38.9174.8-70.7178.6174.9-169.2-4.3111.2K130 D131 D132 D136 R137 D138K130-R134 WeakPolarHBondContact O-CG 3.49Å; D131-R134 PolarHBondContact O-N 3.4Å; D132-R134 PolarHBondContact O-N 2.94Å; R134-D136 VanDerWaalsContact C-N 3.27Å; R134-D136 PolarHBondContact O-N 3.21Å; R134-R137 PolarHBondContact O-N 3.15Å; R134-D138 PolarHBondContact O-N 3.26Å
135R56.4Low61.9Low146 Ų146124.5 Ų124.555%0.55161%0.611SS**Hα-helixtrans-67-28.9178.4-66.4175.9-169.3-166.12.7112.7D131 D132 R139D131-R135 WeakPolarHBondContact O-CG 3.47Å; D131-R135 PolarHBondContact O-N 2.76Å; D131-R135 IonicContact OD1-CZ 3.64Å; D131-R135 IonicContact OD1-NE 3.74Å; D131-R135 PolarHBondContact OD1-NE 3.4Å; D131-R135 IonicContact OD1-NH2 3.48Å; D131-R135 PolarHBondContact OD1-NH2 3.41Å; D131-R135 IonicContact OD2-CZ 3.6Å; D131-R135 IonicContact OD2-NE 3.2Å; D131-R135 IonicContact OD2-NH2 2.8Å; D131-R135 PolarHBondContact OD2-NH2 2.76Å; D132-R135 PolarHBondContact O-N 3.05Å; D132-R135 VanDerWaalsContact O-N 3.15Å; R135-R139 WeakPolarHBondContact O-CG 3.43Å; R135-R139 PolarHBondContact O-N 3.34Å
136D58.2Low63.5Low94 Ų94122.9 Ų122.950%0.50359%0.59SS.*Hα-helixtrans-84.9-26.1176.1-70.6-35.6000113.9D132 R134 R139D132-D136 PolarHBondContact O-N 3.38Å; R134-D136 VanDerWaalsContact C-N 3.27Å; R134-D136 PolarHBondContact O-N 3.21Å; D136-R139 IonicContact OD1-NH1 3.3Å; D136-R139 PolarHBondContact OD1-NH1 3.37Å
137R57.7Low65.1Low212 Ų212121.4 Ų121.480%0.858%0.576SS**Hα-helixtrans-75.2-32.7170.7-79.9-177.2-169.2158.55.1113.1S133 R134 R139S133-R137 PolarHBondContact O-N 2.8Å; R134-R137 PolarHBondContact O-N 3.15Å; R137-R139 VanDerWaalsContact C-N 3.33Å
138D58.9Low67Low139 Ų139111.4 Ų111.474%0.74354%0.538SS*.SBendtrans-84.1-6.4178.3-71.7-35.2000113.5R134 S140R134-D138 PolarHBondContact O-N 3.26Å; D138-S140 PolarHBondContact O-N 3.18Å
139R56.5Low68.9Low186 Ų186103.4 Ų103.470%0.70251%0.51SS*.SBendtrans-75.661.2160-80.7172.3173160.6-4.5109.8R135 D136 R137 A141R135-R139 WeakPolarHBondContact O-CG 3.43Å; R135-R139 PolarHBondContact O-N 3.34Å; D136-R139 IonicContact OD1-NH1 3.3Å; D136-R139 PolarHBondContact OD1-NH1 3.37Å; R137-R139 VanDerWaalsContact C-N 3.33Å; R139-A141 PolarHBondContact O-N 3.47Å
140S57Low70.7Confident92 Ų9295.1 Ų95.164%0.64347%0.474SS*.  trans6.3110.2159.1560000114.3D138 S142D138-S140 PolarHBondContact O-N 3.18Å; S140-S142 PolarHBondContact O-N 3.27Å
141A65.5Low72.6Confident99 Ų9988.9 Ų88.982%0.81845%0.448SS*.  trans-35.4113.7166.100000108.8R139R139-A141 PolarHBondContact O-N 3.47Å
142S68.7Low74.4Confident94 Ų9490 Ų9066%0.65745%0.45SS*.PPolyproline II helixtrans-50.7132.5-176470000107.8S140 K144S140-S142 PolarHBondContact O-N 3.27Å; S142-K144 PolarHBondContact O-N 3.2Å
143P73.9Confident76.1Confident67 Ų6785.4 Ų85.444%0.43543%0.425SS..PPolyproline II helixtrans-57.2117.7-17519.1-27.9000107.7L222P143-L222 HydrophobicContact CG-CD1 4.15Å; P143-L222 WeakPolarHBondContact O-CD1 3.26Å
144K82.2Confident77.8Confident146 Ų14683.5 Ų83.564%0.63541%0.411SS*.PPolyproline II helixtrans-57.1128.5-177.8-65.4-176.3179.1-174.90108.2S142 T146 N196S142-K144 PolarHBondContact O-N 3.2Å; K144-T146 PolarHBondContact O-N 2.71Å; K144-T146 PolarHBondContact O-OG1 2.95Å; K144-N196 HydrophobicContact CB-CB 3.9Å; K144-N196 HydrophobicContact CD-CB 4.19Å
145P84.6Confident79.6Confident37 Ų3785.5 Ų85.524%0.2442%0.419CS..PPolyproline II helixtrans-61.8127.9-17925.4-32.9000108.8N196 L199 P220P145-N196 PolarHBondContact O-ND2 2.93Å; P145-L199 WeakPolarHBondContact O-CD1 3.45Å; P145-P220 HydrophobicContact CB-CB 4.4Å; P145-P220 HydrophobicContact CG-CB 4.39Å
146T91.7Very high81.3Confident19 Ų1984 Ų8412%0.11742%0.422CS..  trans-111.2-2.1177.3-40.70000111.3K144 E192 Y193 R225K144-T146 PolarHBondContact O-N 2.71Å; K144-T146 PolarHBondContact O-OG1 2.95Å; T146-E192 HydrophobicContact CG2-CG 4.24Å; T146-E192 WeakPolarHBondContact O-CA 3.4Å; T146-Y193 WeakPolarHBondContact CG2-O 3.41Å; T146-Y193 PolarHBondContact O-N 3.1Å; T146-R225 PolarHBondContact OG1-NH2 3.44Å
147R94.4Very high83Confident88 Ų8879.5 Ų79.533%0.33240%0.398SS..EExtended strand (participates in β ladder)trans-118140.7-176.8-71.9175.8176.7-176.11.2111.9L191 E192 L199 V221 Y223R147-L191 CarbonylContact C-O 3.5Å; R147-L191 WeakPolarHBondContact CA-O 3.4Å; R147-E192 HydrophobicContact CG-CB 3.68Å; R147-E192 HydrophobicContact CG-CG 3.7Å; R147-E192 IonicContact CZ-OE2 3.16Å; R147-E192 IonicContact NE-OE2 2.75Å; R147-E192 PolarHBondContact NE-OE2 3.23Å; R147-E192 IonicContact NH2-OE2 2.72Å; R147-E192 PolarHBondContact NH2-OE2 3.2Å; R147-L199 VanDerWaalsContact C-CD1 3.42Å; R147-L199 WeakPolarHBondContact O-CD1 3.47Å; R147-V221 PolarHBondContact O-N 3.46Å; R147-Y223 HydrophobicContact CB-CD2 3.74Å; R147-Y223 HydrophobicContact CB-CE2 3.85Å; R147-Y223 VanDerWaalsContact CD-CE2 3.49Å; R147-Y223 HydrophobicContact CG-CD2 4.05Å; R147-Y223 HydrophobicContact CG-CE2 4.31Å
148I95.9Very high84.8Confident0 Ų073.6 Ų73.60%038%0.382CS..EExtended strand (participates in β ladder)trans-112.3139.8175.2-62.4-170.1000109.2V150 Y190 L191 Y193 L199 A202 V218 A219I148-V150 HydrophobicContact CG2-CG2 3.85Å; I148-Y190 VanDerWaalsContact O-CA 3.31Å; I148-Y190 WeakPolarHBondContact O-CA 3.14Å; I148-L191 PolarHBondContact N-O 2.85Å; I148-L191 PolarHBondContact O-N 3.34Å; I148-Y193 HydrophobicContact CD1-CD2 4.18Å; I148-Y193 HydrophobicContact CD1-CE2 3.62Å; I148-Y193 HydrophobicContact CG1-CD2 4.4Å; I148-Y193 HydrophobicContact CG1-CE2 4.22Å; I148-L199 HydrophobicContact CD1-CB 4.28Å; I148-L199 HydrophobicContact CD1-CD1 4.32Å; I148-L199 HydrophobicContact CD1-CG 3.7Å; I148-L199 WeakPolarHBondContact CD1-O 3.43Å; I148-L199 HydrophobicContact CG1-CB 4.3Å; I148-L199 HydrophobicContact CG1-CD1 3.48Å; I148-L199 VanDerWaalsContact CG1-CD1 3.48Å; I148-L199 HydrophobicContact CG1-CD2 4.38Å; I148-L199 HydrophobicContact CG1-CG 3.4Å; I148-A202 HydrophobicContact CD1-CB 3.85Å; I148-V218 HydrophobicContact CD1-CG1 4.18Å; I148-V218 HydrophobicContact CG2-CB 4.49Å; I148-V218 HydrophobicContact CG2-CG1 3.28Å; I148-A219 CarbonylContact C-O 3.58Å; I148-A219 WeakPolarHBondContact CA-O 3.11Å
149H96.6Very high86.5Confident53 Ų5372.3 Ų72.325%0.24537%0.37CS..EExtended strand (participates in β ladder)trans-93.3124.5160.8172.8-123.4000109.4Y190 V218 A219 V221H149-Y190 HydrophobicContact CB-CD1 4.07Å; H149-Y190 HydrophobicContact CB-CE1 3.9Å; H149-Y190 AromaticContact CD2-CE1 3.57Å; H149-V218 WeakPolarHBondContact O-CA 3.29Å; H149-A219 PolarHBondContact N-O 3.31Å; H149-A219 PolarHBondContact O-N 3.14Å; H149-V221 HydrophobicContact CB-CG2 3.41Å; H149-V221 VanDerWaalsContact CB-CG2 3.41Å
150V96.9Very high88.4Confident0 Ų069 Ų690%037%0.367CS..EExtended strand (participates in β ladder)trans-110.8110176.1-174.70000107I148 L153 F166 F188 A189 L191 V216 T217I148-V150 HydrophobicContact CG2-CG2 3.85Å; V150-L153 HydrophobicContact CG1-CD1 4.16Å; V150-L153 HydrophobicContact CG1-CD2 3.75Å; V150-L153 HydrophobicContact CG1-CG 4.07Å; V150-F166 HydrophobicContact CB-CZ 4.48Å; V150-F166 HydrophobicContact CG1-CE2 4.17Å; V150-F166 HydrophobicContact CG1-CZ 3.84Å; V150-F166 HydrophobicContact CG2-CE1 4.16Å; V150-F166 HydrophobicContact CG2-CE2 4.24Å; V150-F166 HydrophobicContact CG2-CZ 3.73Å; V150-F188 CarbonylContact O-C 3.44Å; V150-F188 WeakPolarHBondContact O-CA 3.39Å; V150-F188 WeakPolarHBondContact O-CB 3.29Å; V150-A189 HydrophobicContact CB-CB 4.46Å; V150-A189 PolarHBondContact N-O 3.02Å; V150-A189 PolarHBondContact O-N 3.11Å; V150-L191 HydrophobicContact CG2-CD1 3.73Å; V150-L191 HydrophobicContact CG2-CG 4.09Å; V150-V216 HydrophobicContact CG1-CG1 3.24Å; V150-T217 CarbonylContact C-O 3.53Å; V150-T217 WeakPolarHBondContact CA-O 3.38Å
151G96.5Very high90.2Very high3 Ų368.7 Ų68.73%0.03136%0.355CS..EExtended strand (participates in β ladder)trans-111.8165.5-179.400000112.5V216 T217G151-V216 VanDerWaalsContact O-CG1 3.24Å; G151-V216 WeakPolarHBondContact O-CG1 3.3Å; G151-T217 WeakPolarHBondContact CA-OG1 3.48Å; G151-T217 PolarHBondContact N-O 2.86Å; G151-T217 PolarHBondContact O-N 3.33Å; G151-T217 PolarHBondContact O-OG1 3.2Å
152H96.2Very high91.7Very high105 Ų10564 Ų6449%0.48632%0.316SS..SBendtrans64.138.8-177.2-51.1166.1000113.3G187 Q214 R215 T217H152-G187 PolarHBondContact N-O 3.33Å; H152-Q214 VanDerWaalsContact O-CD 3.31Å; H152-Q214 WeakPolarHBondContact O-CG 3.5Å; H152-Q214 PolarHBondContact O-NE2 3.42Å; H152-R215 WeakPolarHBondContact CB-O 3.42Å; H152-T217 WeakPolarHBondContact ND1-CG2 3.46Å
153L95.9Very high93Very high8 Ų862.2 Ų62.24%0.04230%0.301CS..  trans-77.8143.9169-62.7174.7000110V150 V157 L162 L177 G187 A189 V216V150-L153 HydrophobicContact CG1-CD1 4.16Å; V150-L153 HydrophobicContact CG1-CD2 3.75Å; V150-L153 HydrophobicContact CG1-CG 4.07Å; L153-V157 HydrophobicContact CB-CB 4.44Å; L153-V157 HydrophobicContact CD1-CG1 4.33Å; L153-V157 HydrophobicContact CD2-CG1 4.34Å; L153-L162 HydrophobicContact CD1-CD1 4.25Å; L153-L162 HydrophobicContact CD1-CD2 3.96Å; L153-L162 HydrophobicContact CD2-CD2 4.16Å; L153-L177 HydrophobicContact CD1-CD1 4.37Å; L153-G187 PolarHBondContact N-O 2.91Å; L153-G187 WeakPolarHBondContact O-CA 3.49Å; L153-A189 HydrophobicContact CD1-CB 3.75Å; L153-V216 HydrophobicContact CD2-CG1 4.02Å; L153-V216 HydrophobicContact CD2-CG2 4Å
154T94.7Very high94Very high16 Ų1666 Ų6610%0.09831%0.313CS..  trans-68.2163.8170.466.90000110.5N156 V157 N185 D212 Q214T154-N156 PolarHBondContact O-N 2.95Å; T154-V157 PolarHBondContact O-N 3.49Å; T154-V157 WeakPolarHBondContact OG1-CG2 3.46Å; T154-N185 PolarHBondContact O-ND2 3.48Å; T154-N185 PolarHBondContact O-OD1 3.24Å; T154-D212 VanDerWaalsContact CB-OD2 3.29Å; T154-D212 WeakPolarHBondContact CB-OD2 3.46Å; T154-D212 HydrophobicContact CG2-CB 3.92Å; T154-D212 WeakPolarHBondContact CG2-O 3.4Å; T154-D212 WeakPolarHBondContact CG2-OD2 3.35Å; T154-D212 PolarHBondContact OG1-OD2 2.85Å; T154-Q214 HydrophobicContact CG2-CB 3.59Å
155R93Very high94.7Very high191 Ų19161.6 Ų61.672%0.72130%0.296SS*.THydrogen-bonded Turntrans-67.9-15178.9-69.4178.5-176.5-172.93.8114.1I184 N185R155-I184 HydrophobicContact CB-CG2 3.7Å; R155-I184 HydrophobicContact CG-CG2 3.73Å; R155-N185 VanDerWaalsContact CA-OD1 3.3Å; R155-N185 WeakPolarHBondContact CA-OD1 2.94Å
156N92.6Very high95.2Very high114 Ų11459.9 Ų59.961%0.6128%0.284SS*.THydrogen-bonded Turntrans-91.6-10.2-176-61.861.7000112.7T154 N158 D212T154-N156 PolarHBondContact O-N 2.95Å; N156-N158 PolarHBondContact O-N 3.3Å; N156-D212 WeakPolarHBondContact CB-OD2 3.41Å
157V94.7Very high95.4Very high1 Ų161.8 Ų61.81%0.00630%0.299CS..  trans-76.6117.8-179.7172.70000110.9L153 T154 H161 L162 L177 N185 V211 D212L153-V157 HydrophobicContact CB-CB 4.44Å; L153-V157 HydrophobicContact CD1-CG1 4.33Å; L153-V157 HydrophobicContact CD2-CG1 4.34Å; T154-V157 PolarHBondContact O-N 3.49Å; T154-V157 WeakPolarHBondContact OG1-CG2 3.46Å; V157-H161 HydrophobicContact CG1-CB 4.36Å; V157-L162 HydrophobicContact CG1-CD1 4.37Å; V157-L162 HydrophobicContact CG1-CD2 3.74Å; V157-L162 HydrophobicContact CG1-CG 3.75Å; V157-L177 WeakPolarHBondContact O-CD2 2.92Å; V157-N185 PolarHBondContact O-ND2 3.07Å; V157-V211 HydrophobicContact CG2-CG1 4.01Å; V157-D212 HydrophobicContact CG2-CB 4.2Å
158N94.3Very high95.5Very high87 Ų8763.1 Ų63.147%0.46532%0.316SS..  trans-98.4174.2175.9-68.8-18.6000111.9N156 D160 H161 L162N156-N158 PolarHBondContact O-N 3.3Å; N158-D160 PolarHBondContact O-N 2.92Å; N158-H161 PolarHBondContact O-N 3.19Å; N158-L162 PolarHBondContact O-N 3.16Å
159K94.8Very high95.5Very high112 Ų11265.8 Ų65.849%0.48733%0.327SS..Hα-helixtrans-57.1-40.2176.1-168.9-175.5177.5-166.20111.7L162 V163 V175K159-L162 WeakPolarHBondContact O-CB 3.45Å; K159-L162 PolarHBondContact O-N 3.48Å; K159-V163 WeakPolarHBondContact O-CG2 3.4Å; K159-V163 PolarHBondContact O-N 3.33Å; K159-V175 HydrophobicContact CG-CB 4.1Å; K159-V175 HydrophobicContact CG-CG1 3.62Å
160D95.7Very high95.4Very high118 Ų11863.8 Ų63.863%0.63132%0.32SS*.Hα-helixtrans-66.9-42.3-176-53.4-39.4000111.8N158 L162 V163 E164N158-D160 PolarHBondContact O-N 2.92Å; D160-L162 VanDerWaalsContact C-N 3.28Å; D160-L162 PolarHBondContact O-N 2.79Å; D160-V163 PolarHBondContact O-N 2.72Å; D160-V163 VanDerWaalsContact O-N 3.11Å; D160-E164 PolarHBondContact O-N 2.72Å
161H95.3Very high95.4Very high84 Ų8466.6 Ų66.639%0.38934%0.339SS..Hα-helixtrans-60.1-40174.5-58.5170.3000111.6V157 N158 V163 E164 I165V157-H161 HydrophobicContact CG1-CB 4.36Å; N158-H161 PolarHBondContact O-N 3.19Å; H161-V163 VanDerWaalsContact C-N 3.35Å; H161-E164 PolarHBondContact O-N 2.75Å; H161-I165 WeakPolarHBondContact O-CB 3.47Å; H161-I165 WeakPolarHBondContact O-CD1 3.39Å; H161-I165 WeakPolarHBondContact O-CG1 3.47Å; H161-I165 PolarHBondContact O-N 3.33Å
162L96.2Very high95.3Very high0 Ų068.1 Ų68.10%035%0.346CS..Hα-helixtrans-66.3-39176.7-66.9175000111.8L153 V157 N158 K159 D160 F166 V175 L177 A189 L191L153-L162 HydrophobicContact CD1-CD1 4.25Å; L153-L162 HydrophobicContact CD1-CD2 3.96Å; L153-L162 HydrophobicContact CD2-CD2 4.16Å; V157-L162 HydrophobicContact CG1-CD1 4.37Å; V157-L162 HydrophobicContact CG1-CD2 3.74Å; V157-L162 HydrophobicContact CG1-CG 3.75Å; N158-L162 PolarHBondContact O-N 3.16Å; K159-L162 WeakPolarHBondContact O-CB 3.45Å; K159-L162 PolarHBondContact O-N 3.48Å; D160-L162 VanDerWaalsContact C-N 3.28Å; D160-L162 PolarHBondContact O-N 2.79Å; L162-F166 HydrophobicContact CD2-CD2 4.17Å; L162-F166 HydrophobicContact CD2-CE2 3.87Å; L162-F166 VanDerWaalsContact O-CB 3.29Å; L162-F166 WeakPolarHBondContact O-CB 3.47Å; L162-F166 WeakPolarHBondContact O-CD2 3.31Å; L162-F166 PolarHBondContact O-N 3.28Å; L162-V175 HydrophobicContact CB-CG1 4.4Å; L162-V175 HydrophobicContact CD1-CG1 4.35Å; L162-L177 HydrophobicContact CD1-CD1 4.02Å; L162-L177 HydrophobicContact CD1-CD2 4.48Å; L162-A189 HydrophobicContact CD1-CB 3.5Å; L162-A189 VanDerWaalsContact CD1-CB 3.5Å; L162-L191 HydrophobicContact CB-CD2 4.38Å
163V96.8Very high95.2Very high58 Ų5869 Ų6935%0.35235%0.348SS..Hα-helixtrans-63.4-49.3175.8173.90000109.9K159 D160 H161 I165 S167 L172 V175K159-V163 WeakPolarHBondContact O-CG2 3.4Å; K159-V163 PolarHBondContact O-N 3.33Å; D160-V163 PolarHBondContact O-N 2.72Å; D160-V163 VanDerWaalsContact O-N 3.11Å; H161-V163 VanDerWaalsContact C-N 3.35Å; V163-I165 PolarHBondContact O-N 2.92Å; V163-S167 WeakPolarHBondContact O-CA 3.2Å; V163-S167 WeakPolarHBondContact O-CB 3.45Å; V163-S167 PolarHBondContact O-N 2.72Å; V163-L172 HydrophobicContact CG2-CD1 4.47Å; V163-V175 HydrophobicContact CG2-CG2 3.87Å
164E96Very high95.2Very high147 Ų14772 Ų7269%0.68737%0.367SS*.Hα-helixtrans-59.2-49.5-178.5-172.7173.7-175.100112.5D160 H161D160-E164 PolarHBondContact O-N 2.72Å; H161-E164 PolarHBondContact O-N 2.75Å
165I95.4Very high95.2Very high53 Ų5372.1 Ų72.127%0.27237%0.368SS..Hα-helixtrans-69.1-46.7-176.9-64.1165.6000111.5H161 V163 M206 V211H161-I165 WeakPolarHBondContact O-CB 3.47Å; H161-I165 WeakPolarHBondContact O-CD1 3.39Å; H161-I165 WeakPolarHBondContact O-CG1 3.47Å; H161-I165 PolarHBondContact O-N 3.33Å; V163-I165 PolarHBondContact O-N 2.92Å; I165-M206 HydrophobicContact CG2-CE 3.42Å; I165-M206 VanDerWaalsContact CG2-CE 3.42Å; I165-M206 HydrophobicContact CG2-SD 4.2Å; I165-V211 HydrophobicContact CD1-CG1 3.69Å; I165-V211 HydrophobicContact CD1-CG2 4.4Å
166F96.1Very high95.3Very high0 Ų068.1 Ų68.10%036%0.357CS..Hα-helixtrans-86.6-18.8-172.6-74.2-86.4000113.4V150 L162 V168 Y169 L172 L191 Y193 A202 M206V150-F166 HydrophobicContact CB-CZ 4.48Å; V150-F166 HydrophobicContact CG1-CE2 4.17Å; V150-F166 HydrophobicContact CG1-CZ 3.84Å; V150-F166 HydrophobicContact CG2-CE1 4.16Å; V150-F166 HydrophobicContact CG2-CE2 4.24Å; V150-F166 HydrophobicContact CG2-CZ 3.73Å; L162-F166 HydrophobicContact CD2-CD2 4.17Å; L162-F166 HydrophobicContact CD2-CE2 3.87Å; L162-F166 VanDerWaalsContact O-CB 3.29Å; L162-F166 WeakPolarHBondContact O-CB 3.47Å; L162-F166 WeakPolarHBondContact O-CD2 3.31Å; L162-F166 PolarHBondContact O-N 3.28Å; F166-V168 PolarHBondContact O-N 3.24Å; F166-Y169 PolarHBondContact O-N 3.45Å; F166-L172 HydrophobicContact CB-CD1 4.09Å; F166-L172 HydrophobicContact CB-CD2 4.47Å; F166-L191 HydrophobicContact CB-CD1 3.77Å; F166-L191 HydrophobicContact CD1-CD1 3.69Å; F166-L191 HydrophobicContact CD2-CD1 3.45Å; F166-L191 VanDerWaalsContact CD2-CD1 3.45Å; F166-L191 HydrophobicContact CE1-CD1 4.08Å; F166-L191 HydrophobicContact CE2-CD1 3.87Å; F166-L191 HydrophobicContact CG-CD1 3.34Å; F166-L191 HydrophobicContact CZ-CD1 4.16Å; F166-Y193 WeakPolarHBondContact CB-OH 3.46Å; F166-Y193 PolarHBondContact O-OH 3.24Å; F166-Y193 VanDerWaalsContact O-OH 3.1Å; F166-A202 HydrophobicContact CD1-CB 4.42Å; F166-M206 HydrophobicContact CD1-CG 4.17Å; F166-M206 HydrophobicContact CE1-CB 3.81Å; F166-M206 HydrophobicContact CE1-CE 4.27Å; F166-M206 HydrophobicContact CE1-CG 3.72Å; F166-M206 HydrophobicContact CE2-CE 4.36Å; F166-M206 HydrophobicContact CZ-CB 4.3Å; F166-M206 HydrophobicContact CZ-CE 3.97Å; F166-M206 HydrophobicContact CZ-CG 4.34Å
167S95.5Very high95.5Very high60 Ų6063.9 Ų63.942%0.4233%0.334SS..THydrogen-bonded Turntrans-66.1-17.1175.9-171.60000113.2V163 Y169 G170V163-S167 WeakPolarHBondContact O-CA 3.2Å; V163-S167 WeakPolarHBondContact O-CB 3.45Å; V163-S167 PolarHBondContact O-N 2.72Å; S167-Y169 PolarHBondContact O-N 3.14Å; S167-G170 WeakPolarHBondContact CA-O 3.37Å; S167-G170 PolarHBondContact O-N 2.99Å
168V95.9Very high95.5Very high116 Ų11664.8 Ų64.870%0.70334%0.34SS*.THydrogen-bonded Turntrans-61.3-30.6175.1-177.90000111.9F166F166-V168 PolarHBondContact O-N 3.24Å
169Y95.5Very high95.5Very high55 Ų5564.8 Ų64.822%0.21634%0.34CS..THydrogen-bonded Turntrans-89-19.8-178.1-56.9-72.3000113.5F166 S167 K201 A202 F205 M206F166-Y169 PolarHBondContact O-N 3.45Å; S167-Y169 PolarHBondContact O-N 3.14Å; Y169-K201 HydrophobicContact CD1-CB 4.46Å; Y169-A202 HydrophobicContact CD2-CB 3.84Å; Y169-A202 HydrophobicContact CG-CB 3.85Å; Y169-F205 HydrophobicContact CD1-CD2 4.14Å; Y169-F205 HydrophobicContact CE1-CB 3.56Å; Y169-F205 AromaticContact CE1-CD2 3.75Å; Y169-F205 HydrophobicContact CE1-CD2 3.75Å; Y169-F205 AromaticContact CE1-CG 3.94Å; Y169-F205 HydrophobicContact CE1-CG 3.94Å; Y169-M206 HydrophobicContact CD2-CG 4.22Å; Y169-M206 HydrophobicContact CE2-CG 3.31Å; Y169-M206 HydrophobicContact CE2-SD 3.75Å; Y169-M206 PolarHBondContact OH-SD 3.19Å
170G95.2Very high95.3Very high11 Ų1162.4 Ų62.411%0.11334%0.335CS..SBendtrans161.2170.9177.700000113.2S167 L172S167-G170 WeakPolarHBondContact CA-O 3.37Å; S167-G170 PolarHBondContact O-N 2.99Å; G170-L172 PolarHBondContact O-N 2.83Å
171P96Very high95Very high59 Ų5960.9 Ų60.938%0.38335%0.347SS..  trans-67.6130.1-179.127.2-33.5000111.7E194P171-E194 HydrophobicContact CB-CG 4.26Å; P171-E194 HydrophobicContact CG-CB 4.22Å; P171-E194 HydrophobicContact CG-CG 4Å; P171-E194 WeakPolarHBondContact CG-OE2 3.35Å; P171-E194 PolarHBondContact O-N 3.46Å
172L96Very high94.7Very high35 Ų3563.8 Ų63.818%0.18337%0.365CS..EExtended strand (participates in β ladder)trans-89.4122175.8-63.8173.9000110.2V163 F166 G170 V175 L191 E192 Y193V163-L172 HydrophobicContact CG2-CD1 4.47Å; F166-L172 HydrophobicContact CB-CD1 4.09Å; F166-L172 HydrophobicContact CB-CD2 4.47Å; G170-L172 PolarHBondContact O-N 2.83Å; L172-V175 HydrophobicContact CB-CG2 4.23Å; L172-V175 HydrophobicContact CD1-CG2 3.84Å; L172-L191 HydrophobicContact CD2-CB 4.18Å; L172-E192 CarbonylContact C-O 3.47Å; L172-E192 WeakPolarHBondContact CA-O 3.25Å; L172-Y193 HydrophobicContact CD2-CD1 3.79Å; L172-Y193 HydrophobicContact CD2-CD2 4.14Å; L172-Y193 HydrophobicContact CD2-CE1 3.48Å; L172-Y193 VanDerWaalsContact CD2-CE1 3.48Å; L172-Y193 HydrophobicContact CD2-CE2 3.83Å; L172-Y193 HydrophobicContact CD2-CG 4.12Å; L172-Y193 HydrophobicContact CG-CE1 4.36Å
173K94.6Very high94.3Very high123 Ų12366.2 Ų66.254%0.53539%0.39SS..EExtended strand (participates in β ladder)trans-77.4-39.1175.5-176.8177.9173.1-168.10112.6E192 E194K173-E192 HydrophobicContact CB-CB 4.39Å; K173-E192 HydrophobicContact CB-CG 4.22Å; K173-E192 HydrophobicContact CD-CG 4.29Å; K173-E192 PolarHBondContact N-O 3.05Å; K173-E192 IonicContact NZ-OE1 2.99Å; K173-E192 PolarHBondContact NZ-OE1 3.48Å; K173-E194 HydrophobicContact CB-CG 4.4Å
174T94.2Very high94Very high71 Ų7166.5 Ų66.544%0.43639%0.389SS..EExtended strand (participates in β ladder)trans-152.7133.9-178.8-54.40000110.4E192T174-E192 PolarHBondContact N-O 3.46Å; T174-E192 PolarHBondContact O-N 3.04Å
175V96Very high93.9Very high19 Ų1959.9 Ų59.912%0.11536%0.358CS..EExtended strand (participates in β ladder)trans-117.4120.1174.2178.40000108.5K159 L162 V163 L172 L191K159-V175 HydrophobicContact CG-CB 4.1Å; K159-V175 HydrophobicContact CG-CG1 3.62Å; L162-V175 HydrophobicContact CB-CG1 4.4Å; L162-V175 HydrophobicContact CD1-CG1 4.35Å; V163-V175 HydrophobicContact CG2-CG2 3.87Å; L172-V175 HydrophobicContact CB-CG2 4.23Å; L172-V175 HydrophobicContact CD1-CG2 3.84Å; V175-L191 HydrophobicContact CB-CD2 4.04Å; V175-L191 HydrophobicContact CG1-CD2 3.58Å; V175-L191 HydrophobicContact CG2-CD2 3.74Å
176H95.4Very high93.8Very high107 Ų10764.5 Ų64.550%0.49537%0.372SS..EExtended strand (participates in β ladder)trans-120111.6178.8-176-104.7000109.8P178 A189 Y190H176-P178 WeakPolarHBondContact O-CD 3.27Å; H176-A189 WeakPolarHBondContact O-CA 3.42Å; H176-Y190 PolarHBondContact N-O 3.22Å; H176-Y190 AromaticContact ND1-CD2 3.93Å; H176-Y190 PolarHBondContact O-N 3.32Å
177L95.3Very high93.8Very high25 Ų2565.3 Ų65.313%0.13138%0.38CS..  trans-116.695.1178.7-178.167000108.5L153 V157 L162 L179 N185 A189L153-L177 HydrophobicContact CD1-CD1 4.37Å; V157-L177 WeakPolarHBondContact O-CD2 2.92Å; L162-L177 HydrophobicContact CD1-CD1 4.02Å; L162-L177 HydrophobicContact CD1-CD2 4.48Å; L177-L179 HydrophobicContact CD2-CD2 4.28Å; L177-L179 HydrophobicContact CG-CD2 4.21Å; L177-L179 PolarHBondContact O-N 2.94Å; L177-N185 HydrophobicContact CD1-CB 3.94Å; L177-N185 HydrophobicContact CD2-CB 4.18Å; L177-N185 HydrophobicContact CG-CB 4.06Å; L177-A189 HydrophobicContact CD1-CB 3.74Å
178P94.4Very high93.8Very high20 Ų2065.1 Ų65.113%0.1337%0.372CS..PPolyproline II helixtrans-60.3124.3176.6-24.134.4000111.3H176 R186 F188H176-P178 WeakPolarHBondContact O-CD 3.27Å; P178-R186 HydrophobicContact CB-CG 4.4Å; P178-R186 WeakPolarHBondContact O-CG 3.44Å; P178-R186 PolarHBondContact O-N 3.4Å; P178-F188 HydrophobicContact CB-CE2 4.4Å; P178-F188 HydrophobicContact CB-CZ 4.35Å; P178-F188 HydrophobicContact CG-CD2 4.41Å; P178-F188 HydrophobicContact CG-CE2 3.72Å; P178-F188 HydrophobicContact CG-CZ 4.13Å
179L94.4Very high93.8Very high88 Ų8859.6 Ų59.646%0.46134%0.338SS..BIsolated β-bridgetrans-96153.9173-53.4-179.5000110.5L177 I184 N185 R186L177-L179 HydrophobicContact CD2-CD2 4.28Å; L177-L179 HydrophobicContact CG-CD2 4.21Å; L177-L179 PolarHBondContact O-N 2.94Å; L179-I184 CarbonylContact C-O 3.56Å; L179-N185 HydrophobicContact CD2-CB 3.91Å; L179-R186 PolarHBondContact O-NE 3.01Å
180T91.5Very high93.9Very high62 Ų6260.1 Ų60.138%0.3834%0.34SS..PPolyproline II helixtrans-78.5164.5167.5-600000108.8L182 G183 I184T180-L182 PolarHBondContact O-N 2.86Å; T180-G183 PolarHBondContact O-N 2.95Å; T180-I184 VanDerWaalsContact CB-O 3.29Å; T180-I184 WeakPolarHBondContact CB-O 3.39Å; T180-I184 PolarHBondContact N-O 2.84Å; T180-I184 PolarHBondContact OG1-O 2.8Å
181G90.2Very high93.9Very high86 Ų8659.6 Ų59.689%0.88734%0.335SS*.THydrogen-bonded Turntrans-57.5-19.817600000114.5G183G181-G183 VanDerWaalsContact C-N 3.3Å
182L88.8Confident93.9Very high145 Ų14557.2 Ų57.276%0.75932%0.319SS*.THydrogen-bonded Turntrans-85.15.7174.8-56.7177.5000113.7T180 I184T180-L182 PolarHBondContact O-N 2.86Å; L182-I184 HydrophobicContact CB-CD1 4.23Å; L182-I184 HydrophobicContact CB-CG1 4.32Å; L182-I184 PolarHBondContact O-N 2.78Å
183G87.8Confident93.9Very high51 Ų5155.6 Ų55.653%0.52631%0.31SS..SBendtrans78.7-2.9-176.400000115.2T180 G181T180-G183 PolarHBondContact O-N 2.95Å; G181-G183 VanDerWaalsContact C-N 3.3Å
184I90.8Very high93.8Very high64 Ų6455.6 Ų55.633%0.32831%0.312SS..  trans-84.4137.7-180-52.9169.7000109.9R155 L179 T180 L182R155-I184 HydrophobicContact CB-CG2 3.7Å; R155-I184 HydrophobicContact CG-CG2 3.73Å; L179-I184 CarbonylContact C-O 3.56Å; T180-I184 VanDerWaalsContact CB-O 3.29Å; T180-I184 WeakPolarHBondContact CB-O 3.39Å; T180-I184 PolarHBondContact N-O 2.84Å; T180-I184 PolarHBondContact OG1-O 2.8Å; L182-I184 HydrophobicContact CB-CD1 4.23Å; L182-I184 HydrophobicContact CB-CG1 4.32Å; L182-I184 PolarHBondContact O-N 2.78Å
185N92.8Very high93.8Very high8 Ų858.1 Ų58.14%0.04332%0.317CS..BIsolated β-bridgetrans-60.4156.6176.773.215.7000112.5T154 R155 V157 L177 L179 G187T154-N185 PolarHBondContact O-ND2 3.48Å; T154-N185 PolarHBondContact O-OD1 3.24Å; R155-N185 VanDerWaalsContact CA-OD1 3.3Å; R155-N185 WeakPolarHBondContact CA-OD1 2.94Å; V157-N185 PolarHBondContact O-ND2 3.07Å; L177-N185 HydrophobicContact CD1-CB 3.94Å; L177-N185 HydrophobicContact CD2-CB 4.18Å; L177-N185 HydrophobicContact CG-CB 4.06Å; L179-N185 HydrophobicContact CD2-CB 3.91Å; N185-G187 PolarHBondContact O-N 3.13Å; N185-G187 PolarHBondContact OD1-N 3.32Å
186R93.9Very high93.7Very high149 Ų14958.5 Ų58.556%0.56232%0.318SS*.  trans-84.910.7179.5-65.3-175.2-175.3-171.1-3.1113.9P178 L179 F188P178-R186 HydrophobicContact CB-CG 4.4Å; P178-R186 WeakPolarHBondContact O-CG 3.44Å; P178-R186 PolarHBondContact O-N 3.4Å; L179-R186 PolarHBondContact O-NE 3.01Å; R186-F188 VanDerWaalsContact C-N 3.27Å; R186-F188 HydrophobicContact CB-CD1 3.78Å; R186-F188 HydrophobicContact CB-CE1 3.42Å; R186-F188 VanDerWaalsContact CB-CE1 3.42Å; R186-F188 HydrophobicContact CB-CZ 4.17Å; R186-F188 HydrophobicContact CG-CE1 4.37Å; R186-F188 WeakPolarHBondContact O-CD1 3.45Å; R186-F188 PolarHBondContact O-N 3.46Å
187G94.9Very high93.7Very high17 Ų1757.9 Ų57.918%0.17532%0.319CS..SBendtrans74.211.6-174.900000115H152 L153 N185H152-G187 PolarHBondContact N-O 3.33Å; L153-G187 PolarHBondContact N-O 2.91Å; L153-G187 WeakPolarHBondContact O-CA 3.49Å; N185-G187 PolarHBondContact O-N 3.13Å; N185-G187 PolarHBondContact OD1-N 3.32Å
188F96.1Very high93.7Very high56 Ų5657.4 Ų57.425%0.24632%0.316CS..EExtended strand (participates in β ladder)trans-145.2155.6172.967.9-89000112.3V150 P178 R186 Y190V150-F188 CarbonylContact O-C 3.44Å; V150-F188 WeakPolarHBondContact O-CA 3.39Å; V150-F188 WeakPolarHBondContact O-CB 3.29Å; P178-F188 HydrophobicContact CB-CE2 4.4Å; P178-F188 HydrophobicContact CB-CZ 4.35Å; P178-F188 HydrophobicContact CG-CD2 4.41Å; P178-F188 HydrophobicContact CG-CE2 3.72Å; P178-F188 HydrophobicContact CG-CZ 4.13Å; R186-F188 VanDerWaalsContact C-N 3.27Å; R186-F188 HydrophobicContact CB-CD1 3.78Å; R186-F188 HydrophobicContact CB-CE1 3.42Å; R186-F188 VanDerWaalsContact CB-CE1 3.42Å; R186-F188 HydrophobicContact CB-CZ 4.17Å; R186-F188 HydrophobicContact CG-CE1 4.37Å; R186-F188 WeakPolarHBondContact O-CD1 3.45Å; R186-F188 PolarHBondContact O-N 3.46Å; F188-Y190 AromaticContact CD2-CE2 3.95Å; F188-Y190 HydrophobicContact CD2-CE2 3.95Å; F188-Y190 AromaticContact CE2-CE2 3.72Å; F188-Y190 HydrophobicContact CE2-CE2 3.72Å
189A96.7Very high93.7Very high0 Ų056.4 Ų56.40%031%0.31CS..EExtended strand (participates in β ladder)trans-140.9159.5178.600000111.5V150 L153 L162 H176 L177V150-A189 HydrophobicContact CB-CB 4.46Å; V150-A189 PolarHBondContact N-O 3.02Å; V150-A189 PolarHBondContact O-N 3.11Å; L153-A189 HydrophobicContact CD1-CB 3.75Å; L162-A189 HydrophobicContact CD1-CB 3.5Å; L162-A189 VanDerWaalsContact CD1-CB 3.5Å; H176-A189 WeakPolarHBondContact O-CA 3.42Å; L177-A189 HydrophobicContact CD1-CB 3.74Å
190Y96.4Very high93.7Very high66 Ų6656 Ų5626%0.25931%0.308SS..EExtended strand (participates in β ladder)trans-119.3129.6169.8-59.5-76.1000110.5I148 H149 H176 F188 V221 Y223I148-Y190 VanDerWaalsContact O-CA 3.31Å; I148-Y190 WeakPolarHBondContact O-CA 3.14Å; H149-Y190 HydrophobicContact CB-CD1 4.07Å; H149-Y190 HydrophobicContact CB-CE1 3.9Å; H149-Y190 AromaticContact CD2-CE1 3.57Å; H176-Y190 PolarHBondContact N-O 3.22Å; H176-Y190 AromaticContact ND1-CD2 3.93Å; H176-Y190 PolarHBondContact O-N 3.32Å; F188-Y190 AromaticContact CD2-CE2 3.95Å; F188-Y190 HydrophobicContact CD2-CE2 3.95Å; F188-Y190 AromaticContact CE2-CE2 3.72Å; F188-Y190 HydrophobicContact CE2-CE2 3.72Å; Y190-V221 HydrophobicContact CE1-CG2 4.42Å; Y190-Y223 VanDerWaalsContact CD1-OH 3.27Å; Y190-Y223 WeakPolarHBondContact CD1-OH 3.42Å; Y190-Y223 VanDerWaalsContact CE1-OH 3.25Å; Y190-Y223 WeakPolarHBondContact CE1-OH 3.46Å
191L96.4Very high93.9Very high0 Ų058 Ų580%031%0.311CS..EExtended strand (participates in β ladder)trans-119125.5-179.7-56.2-179.7000109.2R147 I148 V150 L162 F166 L172 V175R147-L191 CarbonylContact C-O 3.5Å; R147-L191 WeakPolarHBondContact CA-O 3.4Å; I148-L191 PolarHBondContact N-O 2.85Å; I148-L191 PolarHBondContact O-N 3.34Å; V150-L191 HydrophobicContact CG2-CD1 3.73Å; V150-L191 HydrophobicContact CG2-CG 4.09Å; L162-L191 HydrophobicContact CB-CD2 4.38Å; F166-L191 HydrophobicContact CB-CD1 3.77Å; F166-L191 HydrophobicContact CD1-CD1 3.69Å; F166-L191 HydrophobicContact CD2-CD1 3.45Å; F166-L191 VanDerWaalsContact CD2-CD1 3.45Å; F166-L191 HydrophobicContact CE1-CD1 4.08Å; F166-L191 HydrophobicContact CE2-CD1 3.87Å; F166-L191 HydrophobicContact CG-CD1 3.34Å; F166-L191 HydrophobicContact CZ-CD1 4.16Å; L172-L191 HydrophobicContact CD2-CB 4.18Å; V175-L191 HydrophobicContact CB-CD2 4.04Å; V175-L191 HydrophobicContact CG1-CD2 3.58Å; V175-L191 HydrophobicContact CG2-CD2 3.74Å
192E95.1Very high94.2Very high10 Ų1053.9 Ų53.95%0.04727%0.269CS..EExtended strand (participates in β ladder)trans-102.2123.3170.9-170.6170.6167.200109.2T146 R147 L172 K173 T174T146-E192 HydrophobicContact CG2-CG 4.24Å; T146-E192 WeakPolarHBondContact O-CA 3.4Å; R147-E192 HydrophobicContact CG-CB 3.68Å; R147-E192 HydrophobicContact CG-CG 3.7Å; R147-E192 IonicContact CZ-OE2 3.16Å; R147-E192 IonicContact NE-OE2 2.75Å; R147-E192 PolarHBondContact NE-OE2 3.23Å; R147-E192 IonicContact NH2-OE2 2.72Å; R147-E192 PolarHBondContact NH2-OE2 3.2Å; L172-E192 CarbonylContact C-O 3.47Å; L172-E192 WeakPolarHBondContact CA-O 3.25Å; K173-E192 HydrophobicContact CB-CB 4.39Å; K173-E192 HydrophobicContact CB-CG 4.22Å; K173-E192 HydrophobicContact CD-CG 4.29Å; K173-E192 PolarHBondContact N-O 3.05Å; K173-E192 IonicContact NZ-OE1 2.99Å; K173-E192 PolarHBondContact NZ-OE1 3.48Å; T174-E192 PolarHBondContact N-O 3.46Å; T174-E192 PolarHBondContact O-N 3.04Å
193Y96Very high94.5Very high0 Ų049.6 Ų49.60%025%0.245CC..EExtended strand (participates in β ladder)trans-85.6170.8171.1-77.8-85.9000111.2T146 I148 F166 L172 K195 D198 L199 A202T146-Y193 WeakPolarHBondContact CG2-O 3.41Å; T146-Y193 PolarHBondContact O-N 3.1Å; I148-Y193 HydrophobicContact CD1-CD2 4.18Å; I148-Y193 HydrophobicContact CD1-CE2 3.62Å; I148-Y193 HydrophobicContact CG1-CD2 4.4Å; I148-Y193 HydrophobicContact CG1-CE2 4.22Å; F166-Y193 WeakPolarHBondContact CB-OH 3.46Å; F166-Y193 PolarHBondContact O-OH 3.24Å; F166-Y193 VanDerWaalsContact O-OH 3.1Å; L172-Y193 HydrophobicContact CD2-CD1 3.79Å; L172-Y193 HydrophobicContact CD2-CD2 4.14Å; L172-Y193 HydrophobicContact CD2-CE1 3.48Å; L172-Y193 VanDerWaalsContact CD2-CE1 3.48Å; L172-Y193 HydrophobicContact CD2-CE2 3.83Å; L172-Y193 HydrophobicContact CD2-CG 4.12Å; L172-Y193 HydrophobicContact CG-CE1 4.36Å; Y193-K195 WeakPolarHBondContact CB-O 3.48Å; Y193-D198 HydrophobicContact CD1-CB 3.81Å; Y193-D198 HydrophobicContact CE1-CB 4.36Å; Y193-D198 HydrophobicContact CG-CB 4.3Å; Y193-L199 HydrophobicContact CD2-CB 3.79Å; Y193-L199 HydrophobicContact CG-CB 4.27Å; Y193-A202 HydrophobicContact CE2-CB 3.92Å; Y193-A202 WeakPolarHBondContact OH-CB 3.49Å
194E93.8Very high94.9Very high124 Ų12455.2 Ų55.258%0.57926%0.255SS*.SBendtrans-78.6-40.9167.1-65.5-168.715600111.9P171 K173P171-E194 HydrophobicContact CB-CG 4.26Å; P171-E194 HydrophobicContact CG-CB 4.22Å; P171-E194 HydrophobicContact CG-CG 4Å; P171-E194 WeakPolarHBondContact CG-OE2 3.35Å; P171-E194 PolarHBondContact O-N 3.46Å; K173-E194 HydrophobicContact CB-CG 4.4Å
195K93.5Very high95.1Very high124 Ų12458.1 Ų58.154%0.53927%0.265SS..SBendtrans-112.2149.6-177.2-58.2177.3-176.71740111.2Y193 D197 D198Y193-K195 WeakPolarHBondContact CB-O 3.48Å; K195-D197 VanDerWaalsContact C-N 3.32Å; K195-D198 WeakPolarHBondContact CB-OD2 3.5Å
196N93.1Very high95.3Very high26 Ų2658.2 Ų58.214%0.13927%0.266CS..Hα-helixtrans-69.3-32.3173.3170.9-108.5000111.9K144 P145 D198 L199 L200K144-N196 HydrophobicContact CB-CB 3.9Å; K144-N196 HydrophobicContact CD-CB 4.19Å; P145-N196 PolarHBondContact O-ND2 2.93Å; N196-D198 VanDerWaalsContact C-N 3.34Å; N196-D198 PolarHBondContact O-N 3.24Å; N196-L199 WeakPolarHBondContact O-CB 3.21Å; N196-L199 PolarHBondContact O-N 2.96Å; N196-L200 WeakPolarHBondContact O-CG 3.4Å; N196-L200 PolarHBondContact O-N 3.31Å
197D95.1Very high95.4Very high94 Ų9456.6 Ų56.650%0.50326%0.264SS..Hα-helixtrans-65.6-38.8-179-54-46000111.7K195 L199 L200 K201K195-D197 VanDerWaalsContact C-N 3.32Å; D197-L199 VanDerWaalsContact C-N 3.35Å; D197-L200 PolarHBondContact O-N 2.86Å; D197-K201 WeakPolarHBondContact O-CG 3.41Å; D197-K201 PolarHBondContact O-N 3.35Å
198D95.6Very high95.5Very high15 Ų1557.3 Ų57.38%0.0827%0.272CS..Hα-helixtrans-67.7-38178.1-59.6-23.6000111.4Y193 K195 N196 L200 K201 A202Y193-D198 HydrophobicContact CD1-CB 3.81Å; Y193-D198 HydrophobicContact CE1-CB 4.36Å; Y193-D198 HydrophobicContact CG-CB 4.3Å; K195-D198 WeakPolarHBondContact CB-OD2 3.5Å; N196-D198 VanDerWaalsContact C-N 3.34Å; N196-D198 PolarHBondContact O-N 3.24Å; D198-L200 PolarHBondContact O-N 3.49Å; D198-K201 PolarHBondContact O-N 3.07Å; D198-K201 IonicContact OD1-NZ 3.57Å; D198-A202 WeakPolarHBondContact O-CB 3.39Å; D198-A202 PolarHBondContact O-N 3.5Å
199L94.4Very high95.4Very high0 Ų055.9 Ų55.90%027%0.271CS..Hα-helixtrans-58.9-45.7170.4168.7151.8000112P145 R147 I148 Y193 N196 D197 K201 A202 Q203 P220P145-L199 WeakPolarHBondContact O-CD1 3.45Å; R147-L199 VanDerWaalsContact C-CD1 3.42Å; R147-L199 WeakPolarHBondContact O-CD1 3.47Å; I148-L199 HydrophobicContact CD1-CB 4.28Å; I148-L199 HydrophobicContact CD1-CD1 4.32Å; I148-L199 HydrophobicContact CD1-CG 3.7Å; I148-L199 WeakPolarHBondContact CD1-O 3.43Å; I148-L199 HydrophobicContact CG1-CB 4.3Å; I148-L199 HydrophobicContact CG1-CD1 3.48Å; I148-L199 VanDerWaalsContact CG1-CD1 3.48Å; I148-L199 HydrophobicContact CG1-CD2 4.38Å; I148-L199 HydrophobicContact CG1-CG 3.4Å; Y193-L199 HydrophobicContact CD2-CB 3.79Å; Y193-L199 HydrophobicContact CG-CB 4.27Å; N196-L199 WeakPolarHBondContact O-CB 3.21Å; N196-L199 PolarHBondContact O-N 2.96Å; D197-L199 VanDerWaalsContact C-N 3.35Å; L199-K201 VanDerWaalsContact C-N 3.34Å; L199-A202 PolarHBondContact O-N 3.04Å; L199-Q203 WeakPolarHBondContact O-CB 3.12Å; L199-Q203 PolarHBondContact O-N 3.26Å; L199-P220 HydrophobicContact CD2-CB 4.18Å
200L95.2Very high95.4Very high79 Ų7962.6 Ų62.641%0.41430%0.302SS..Hα-helixtrans-67.1-37.5-178.3-69.9173.5000111.5N196 D197 D198 Q203 K204N196-L200 WeakPolarHBondContact O-CG 3.4Å; N196-L200 PolarHBondContact O-N 3.31Å; D197-L200 PolarHBondContact O-N 2.86Å; D198-L200 PolarHBondContact O-N 3.49Å; L200-Q203 PolarHBondContact O-N 2.91Å; L200-K204 WeakPolarHBondContact O-CB 3.18Å; L200-K204 PolarHBondContact O-N 2.71Å
201K96.1Very high95.3Very high104 Ų10459.9 Ų59.945%0.45229%0.292SS..Hα-helixtrans-60.3-53.9171.4-69.2171.3-170.3165.90110.5Y169 D197 D198 L199 Q203 K204 F205Y169-K201 HydrophobicContact CD1-CB 4.46Å; D197-K201 WeakPolarHBondContact O-CG 3.41Å; D197-K201 PolarHBondContact O-N 3.35Å; D198-K201 PolarHBondContact O-N 3.07Å; D198-K201 IonicContact OD1-NZ 3.57Å; L199-K201 VanDerWaalsContact C-N 3.34Å; K201-Q203 VanDerWaalsContact C-N 3.28Å; K201-Q203 PolarHBondContact O-N 3.04Å; K201-K204 PolarHBondContact O-N 3.34Å; K201-F205 HydrophobicContact CB-CD2 4.45Å; K201-F205 WeakPolarHBondContact O-CD2 3.44Å; K201-F205 PolarHBondContact O-N 3.34Å
202A96.1Very high95.2Very high0 Ų064.5 Ų64.50%032%0.317CS..Hα-helixtrans-57.1-42.9179.300000111.8I148 F166 Y169 Y193 D198 L199 K204 F205 M206I148-A202 HydrophobicContact CD1-CB 3.85Å; F166-A202 HydrophobicContact CD1-CB 4.42Å; Y169-A202 HydrophobicContact CD2-CB 3.84Å; Y169-A202 HydrophobicContact CG-CB 3.85Å; Y193-A202 HydrophobicContact CE2-CB 3.92Å; Y193-A202 WeakPolarHBondContact OH-CB 3.49Å; D198-A202 WeakPolarHBondContact O-CB 3.39Å; D198-A202 PolarHBondContact O-N 3.5Å; L199-A202 PolarHBondContact O-N 3.04Å; A202-K204 PolarHBondContact O-N 3.05Å; A202-F205 PolarHBondContact O-N 2.87Å; A202-M206 WeakPolarHBondContact O-CB 3.24Å; A202-M206 PolarHBondContact O-N 2.77Å
203Q95.8Very high95.2Very high55 Ų5566.8 Ų66.826%0.25734%0.343SS..Hα-helixtrans-59.3-48.2174.5-178-172.6-16.600111.8L199 L200 K201 F205 H207 V218L199-Q203 WeakPolarHBondContact O-CB 3.12Å; L199-Q203 PolarHBondContact O-N 3.26Å; L200-Q203 PolarHBondContact O-N 2.91Å; K201-Q203 VanDerWaalsContact C-N 3.28Å; K201-Q203 PolarHBondContact O-N 3.04Å; Q203-F205 VanDerWaalsContact C-N 3.34Å; Q203-F205 PolarHBondContact O-N 2.81Å; Q203-H207 WeakPolarHBondContact O-CB 3.03Å; Q203-H207 PolarHBondContact O-N 3.02Å; Q203-H207 VanDerWaalsContact O-N 3.14Å; Q203-V218 HydrophobicContact CB-CG1 4.4Å
204K96.1Very high95.2Very high168 Ų16870.5 Ų70.573%0.7336%0.36SS*.Hα-helixtrans-62.9-39.2-177-173.7-179.7178.1-175.80112.6L200 K201 A202L200-K204 WeakPolarHBondContact O-CB 3.18Å; L200-K204 PolarHBondContact O-N 2.71Å; K201-K204 PolarHBondContact O-N 3.34Å; A202-K204 PolarHBondContact O-N 3.05Å
205F95.3Very high95.3Very high125 Ų12573.5 Ų73.555%0.54837%0.366SS..Hα-helixtrans-92-33.7-174.6-66.8-68.8000113.9Y169 K201 A202 Q203Y169-F205 HydrophobicContact CD1-CD2 4.14Å; Y169-F205 HydrophobicContact CE1-CB 3.56Å; Y169-F205 AromaticContact CE1-CD2 3.75Å; Y169-F205 HydrophobicContact CE1-CD2 3.75Å; Y169-F205 AromaticContact CE1-CG 3.94Å; Y169-F205 HydrophobicContact CE1-CG 3.94Å; K201-F205 HydrophobicContact CB-CD2 4.45Å; K201-F205 WeakPolarHBondContact O-CD2 3.44Å; K201-F205 PolarHBondContact O-N 3.34Å; A202-F205 PolarHBondContact O-N 2.87Å; Q203-F205 VanDerWaalsContact C-N 3.34Å; Q203-F205 PolarHBondContact O-N 2.81Å
206M95.7Very high95.5Very high11 Ų1167.6 Ų67.65%0.05434%0.341CS..Hα-helixtrans-92.7-15.4-176.6-66-63.7-64.300113.8I165 F166 Y169 A202 G208 A209 V211 V218I165-M206 HydrophobicContact CG2-CE 3.42Å; I165-M206 VanDerWaalsContact CG2-CE 3.42Å; I165-M206 HydrophobicContact CG2-SD 4.2Å; F166-M206 HydrophobicContact CD1-CG 4.17Å; F166-M206 HydrophobicContact CE1-CB 3.81Å; F166-M206 HydrophobicContact CE1-CE 4.27Å; F166-M206 HydrophobicContact CE1-CG 3.72Å; F166-M206 HydrophobicContact CE2-CE 4.36Å; F166-M206 HydrophobicContact CZ-CB 4.3Å; F166-M206 HydrophobicContact CZ-CE 3.97Å; F166-M206 HydrophobicContact CZ-CG 4.34Å; Y169-M206 HydrophobicContact CD2-CG 4.22Å; Y169-M206 HydrophobicContact CE2-CG 3.31Å; Y169-M206 HydrophobicContact CE2-SD 3.75Å; Y169-M206 PolarHBondContact OH-SD 3.19Å; A202-M206 WeakPolarHBondContact O-CB 3.24Å; A202-M206 PolarHBondContact O-N 2.77Å; M206-G208 PolarHBondContact O-N 2.91Å; M206-A209 HydrophobicContact CE-CB 4.03Å; M206-A209 WeakPolarHBondContact O-CB 3.29Å; M206-A209 PolarHBondContact O-N 3.4Å; M206-A209 HydrophobicContact SD-CB 4Å; M206-V211 HydrophobicContact CE-CG2 3.88Å; M206-V218 HydrophobicContact CB-CG2 3.82Å; M206-V218 WeakPolarHBondContact O-CG2 3.41Å
207H96.4Very high95.7Very high114 Ų11468.7 Ų68.753%0.52835%0.349SS..THydrogen-bonded Turntrans-65.3110.7175-173.685.6000110.3Q203 V218Q203-H207 WeakPolarHBondContact O-CB 3.03Å; Q203-H207 PolarHBondContact O-N 3.02Å; Q203-H207 VanDerWaalsContact O-N 3.14Å; H207-V218 HydrophobicContact CB-CB 4.11Å; H207-V218 PolarHBondContact ND1-N 3.02Å; H207-V218 PolarHBondContact ND1-O 3.05Å
208G95.9Very high95.8Very high33 Ų3364.3 Ų64.334%0.3433%0.325SS..THydrogen-bonded Turntrans88.11.9-175.300000114.8M206 V216M206-G208 PolarHBondContact O-N 2.91Å; G208-V216 WeakPolarHBondContact CA-O 3.5Å; G208-V216 PolarHBondContact N-O 2.78Å
209A95.6Very high95.8Very high26 Ų2665.5 Ų65.522%0.21534%0.337CS..  trans-69.6157.6173.900000111.7M206 R215 V216M206-A209 HydrophobicContact CE-CB 4.03Å; M206-A209 WeakPolarHBondContact O-CB 3.29Å; M206-A209 PolarHBondContact O-N 3.4Å; M206-A209 HydrophobicContact SD-CB 4Å; A209-R215 WeakPolarHBondContact O-CA 3.14Å; A209-V216 PolarHBondContact O-N 2.79Å
210Q95.8Very high95.8Very high140 Ų14068.2 Ų68.265%0.65436%0.355SS*.EExtended strand (participates in β ladder)trans-97123.8179.3-165.2171.47.900110.1G213 Q214Q210-G213 VanDerWaalsContact NE2-C 3.33Å; Q210-G213 PolarHBondContact NE2-O 3.42Å; Q210-Q214 CarbonylContact C-O 3.55Å; Q210-Q214 WeakPolarHBondContact CA-O 3.36Å
211V94.4Very high95.7Very high10 Ų1066.2 Ų66.26%0.06135%0.346CS..EExtended strand (participates in β ladder)trans-124.6124.2174.8179.50000107.4V157 I165 M206 G213 Q214 V216V157-V211 HydrophobicContact CG2-CG1 4.01Å; I165-V211 HydrophobicContact CD1-CG1 3.69Å; I165-V211 HydrophobicContact CD1-CG2 4.4Å; M206-V211 HydrophobicContact CE-CG2 3.88Å; V211-G213 PolarHBondContact O-N 3.5Å; V211-Q214 PolarHBondContact N-O 3.28Å; V211-Q214 PolarHBondContact O-N 3.37Å; V211-V216 HydrophobicContact CB-CG2 3.56Å; V211-V216 HydrophobicContact CG2-CB 4.44Å; V211-V216 HydrophobicContact CG2-CG2 3.55Å
212D94.1Very high95.1Very high97 Ų9766.1 Ų66.152%0.51935%0.349SS..THydrogen-bonded Turntrans52.341.1-178.1-168.441.3000113T154 N156 V157 Q214T154-D212 VanDerWaalsContact CB-OD2 3.29Å; T154-D212 WeakPolarHBondContact CB-OD2 3.46Å; T154-D212 HydrophobicContact CG2-CB 3.92Å; T154-D212 WeakPolarHBondContact CG2-O 3.4Å; T154-D212 WeakPolarHBondContact CG2-OD2 3.35Å; T154-D212 PolarHBondContact OG1-OD2 2.85Å; N156-D212 WeakPolarHBondContact CB-OD2 3.41Å; V157-D212 HydrophobicContact CG2-CB 4.2Å; D212-Q214 PolarHBondContact O-N 3.3Å
213G94.7Very high93.9Very high57 Ų5769.9 Ų69.959%0.58836%0.364SS*.THydrogen-bonded Turntrans79.5-8.8-17900000115.4Q210 V211Q210-G213 VanDerWaalsContact NE2-C 3.33Å; Q210-G213 PolarHBondContact NE2-O 3.42Å; V211-G213 PolarHBondContact O-N 3.5Å
214Q95.8Very high92.5Very high79 Ų7972.2 Ų72.237%0.36938%0.384SS..EExtended strand (participates in β ladder)trans-108.8142.3-178.6-171.8169.3-15.300112.6H152 T154 Q210 V211 D212H152-Q214 VanDerWaalsContact O-CD 3.31Å; H152-Q214 WeakPolarHBondContact O-CG 3.5Å; H152-Q214 PolarHBondContact O-NE2 3.42Å; T154-Q214 HydrophobicContact CG2-CB 3.59Å; Q210-Q214 CarbonylContact C-O 3.55Å; Q210-Q214 WeakPolarHBondContact CA-O 3.36Å; V211-Q214 PolarHBondContact N-O 3.28Å; V211-Q214 PolarHBondContact O-N 3.37Å; D212-Q214 PolarHBondContact O-N 3.3Å
215R97.4Very high90.8Very high186 Ų18671.8 Ų71.870%0.70238%0.378SS*.EExtended strand (participates in β ladder)trans-76.7124.3175.5-70.8-179.9179.3-110.15111.2H152 A209H152-R215 WeakPolarHBondContact CB-O 3.42Å; A209-R215 WeakPolarHBondContact O-CA 3.14Å
216V97.3Very high89Confident1 Ų171.8 Ų71.81%0.00639%0.388CS..PPolyproline II helixtrans-97.3143.4-174.8-176.40000111.1V150 G151 L153 G208 A209 V211 V218V150-V216 HydrophobicContact CG1-CG1 3.24Å; G151-V216 VanDerWaalsContact O-CG1 3.24Å; G151-V216 WeakPolarHBondContact O-CG1 3.3Å; L153-V216 HydrophobicContact CD2-CG1 4.02Å; L153-V216 HydrophobicContact CD2-CG2 4Å; G208-V216 WeakPolarHBondContact CA-O 3.5Å; G208-V216 PolarHBondContact N-O 2.78Å; A209-V216 PolarHBondContact O-N 2.79Å; V211-V216 HydrophobicContact CB-CG2 3.56Å; V211-V216 HydrophobicContact CG2-CB 4.44Å; V211-V216 HydrophobicContact CG2-CG2 3.55Å; V216-V218 HydrophobicContact CG1-CG2 4.19Å
217T97.2Very high87.3Confident49 Ų4975.3 Ų75.330%0.30142%0.419SS..EExtended strand (participates in β ladder)trans-101.5131.3172.5530000110V150 G151 H152V150-T217 CarbonylContact C-O 3.53Å; V150-T217 WeakPolarHBondContact CA-O 3.38Å; G151-T217 WeakPolarHBondContact CA-OG1 3.48Å; G151-T217 PolarHBondContact N-O 2.86Å; G151-T217 PolarHBondContact O-N 3.33Å; G151-T217 PolarHBondContact O-OG1 3.2Å; H152-T217 WeakPolarHBondContact ND1-CG2 3.46Å
218V97.2Very high85.4Confident1 Ų181.5 Ų81.51%0.00644%0.438CS..EExtended strand (participates in β ladder)trans-124.9118.2-176.8-173.80000108.9I148 H149 Q203 M206 H207 V216I148-V218 HydrophobicContact CD1-CG1 4.18Å; I148-V218 HydrophobicContact CG2-CB 4.49Å; I148-V218 HydrophobicContact CG2-CG1 3.28Å; H149-V218 WeakPolarHBondContact O-CA 3.29Å; Q203-V218 HydrophobicContact CB-CG1 4.4Å; M206-V218 HydrophobicContact CB-CG2 3.82Å; M206-V218 WeakPolarHBondContact O-CG2 3.41Å; H207-V218 HydrophobicContact CB-CB 4.11Å; H207-V218 PolarHBondContact ND1-N 3.02Å; H207-V218 PolarHBondContact ND1-O 3.05Å; V216-V218 HydrophobicContact CG1-CG2 4.19Å
219A95.7Very high83.3Confident41 Ų4190.4 Ų90.434%0.33946%0.461SS..EExtended strand (participates in β ladder)trans-133.8138.1-176.800000111.3I148 H149I148-A219 CarbonylContact C-O 3.58Å; I148-A219 WeakPolarHBondContact CA-O 3.11Å; H149-A219 PolarHBondContact N-O 3.31Å; H149-A219 PolarHBondContact O-N 3.14Å
220P94.3Very high81.2Confident56 Ų5697.2 Ų97.236%0.36449%0.486SS..EExtended strand (participates in β ladder)trans-73.2133.717731-32.1000109.3P145 L199P145-P220 HydrophobicContact CB-CB 4.4Å; P145-P220 HydrophobicContact CG-CB 4.39Å; L199-P220 HydrophobicContact CD2-CB 4.18Å
221V92.4Very high79.5Confident37 Ų3795.1 Ų95.122%0.22449%0.487CS..EExtended strand (participates in β ladder)trans-111.2118.7177.5-174.30000109.5R147 H149 Y190 Y223R147-V221 PolarHBondContact O-N 3.46Å; H149-V221 HydrophobicContact CB-CG2 3.41Å; H149-V221 VanDerWaalsContact CB-CG2 3.41Å; Y190-V221 HydrophobicContact CE1-CG2 4.42Å; V221-Y223 HydrophobicContact CB-CD2 4.02Å; V221-Y223 HydrophobicContact CB-CE2 3.66Å; V221-Y223 HydrophobicContact CG1-CD2 3.57Å; V221-Y223 HydrophobicContact CG1-CE1 4.47Å; V221-Y223 HydrophobicContact CG1-CE2 3.25Å; V221-Y223 HydrophobicContact CG1-CG 4.37Å; V221-Y223 PolarHBondContact O-N 3.46Å; V221-Y223 VanDerWaalsContact O-N 3.14Å
222L84Confident78.2Confident102 Ų10299.9 Ų99.953%0.53452%0.518SS..  trans-77.797.3168-172.363.7000108.5P143 P224P143-L222 HydrophobicContact CG-CD1 4.15Å; P143-L222 WeakPolarHBondContact O-CD1 3.26Å; L222-P224 WeakPolarHBondContact O-CD 3.42Å
223Y70.5Confident76.7Confident79 Ų7999.8 Ų99.831%0.3152%0.523SS..  trans-80.1120.6161-72.9-89.5000107.1R147 Y190 V221 R225R147-Y223 HydrophobicContact CB-CD2 3.74Å; R147-Y223 HydrophobicContact CB-CE2 3.85Å; R147-Y223 VanDerWaalsContact CD-CE2 3.49Å; R147-Y223 HydrophobicContact CG-CD2 4.05Å; R147-Y223 HydrophobicContact CG-CE2 4.31Å; Y190-Y223 VanDerWaalsContact CD1-OH 3.27Å; Y190-Y223 WeakPolarHBondContact CD1-OH 3.42Å; Y190-Y223 VanDerWaalsContact CE1-OH 3.25Å; Y190-Y223 WeakPolarHBondContact CE1-OH 3.46Å; V221-Y223 HydrophobicContact CB-CD2 4.02Å; V221-Y223 HydrophobicContact CB-CE2 3.66Å; V221-Y223 HydrophobicContact CG1-CD2 3.57Å; V221-Y223 HydrophobicContact CG1-CE1 4.47Å; V221-Y223 HydrophobicContact CG1-CE2 3.25Å; V221-Y223 HydrophobicContact CG1-CG 4.37Å; V221-Y223 PolarHBondContact O-N 3.46Å; V221-Y223 VanDerWaalsContact O-N 3.14Å; Y223-R225 VanDerWaalsContact C-N 3.25Å; Y223-R225 PolarHBondContact O-N 3.38Å
224P66.3Low74.9Confident105 Ų105108.1 Ų108.168%0.68254%0.537SS*.  trans-60.8102.6162.726.8-30.5000105.2L222 V226L222-P224 WeakPolarHBondContact O-CD 3.42Å; P224-V226 PolarHBondContact O-N 3.01Å
225R60.1Low72.9Confident159 Ų159115.7 Ų115.760%0.656%0.562SS**  trans-53.4115.6161-71.6-173.1175.9167.92.2103.2T146 Y223 A227T146-R225 PolarHBondContact OG1-NH2 3.44Å; Y223-R225 VanDerWaalsContact C-N 3.25Å; Y223-R225 PolarHBondContact O-N 3.38Å; R225-A227 VanDerWaalsContact C-N 3.31Å; R225-A227 PolarHBondContact O-N 3.24Å
226V59.4Low70.9Confident125 Ų125118.1 Ų118.176%0.75857%0.571SS**  trans-43.4106.1-179.51770000105.1P224 R228P224-V226 PolarHBondContact O-N 3.01Å; V226-R228 VanDerWaalsContact C-N 3.32Å; V226-R228 PolarHBondContact O-N 2.98Å
227A58.1Low68.7Low85 Ų85129.5 Ų129.570%0.70261%0.614SS**  trans-56.2109.7-178.100000103R225 R229R225-A227 VanDerWaalsContact C-N 3.31Å; R225-A227 PolarHBondContact O-N 3.24Å; A227-R229 VanDerWaalsContact O-CA 3.26Å; A227-R229 WeakPolarHBondContact O-CA 3.48Å; A227-R229 PolarHBondContact O-N 2.9Å
228R57.1Low67Low243 Ų243132.3 Ų132.392%0.91764%0.635SS**  trans-46.2110.6-170.4-66179.2102.3-173.18104.3V226 F230V226-R228 VanDerWaalsContact C-N 3.32Å; V226-R228 PolarHBondContact O-N 2.98Å; R228-F230 PolarHBondContact O-N 3.29Å
229R52.8Low65.3Low220 Ų220137.4 Ų137.483%0.8367%0.668SS**  trans-31111.9-159.3-80.7177.5173.6-176.9-1.9107.6A227 S231A227-R229 VanDerWaalsContact O-CA 3.26Å; A227-R229 WeakPolarHBondContact O-CA 3.48Å; A227-R229 PolarHBondContact O-N 2.9Å; R229-S231 VanDerWaalsContact C-N 3.34Å; R229-S231 WeakPolarHBondContact O-CA 3.37Å; R229-S231 PolarHBondContact O-N 2.81Å
230F50.9Low63.7Low170 Ų170141.2 Ų141.275%0.74669%0.69SS**  trans-34.2108.9171.2-180-92.8000105.4R228 P233R228-F230 PolarHBondContact O-N 3.29Å; F230-P233 HydrophobicContact CE1-CB 4.26Å
231S60.3Low62.1Low96 Ų96149.5 Ų149.567%0.67171%0.714SS**  trans-49.4120.9-171.9-70.90000104.6R229R229-S231 VanDerWaalsContact C-N 3.34Å; R229-S231 WeakPolarHBondContact O-CA 3.37Å; R229-S231 PolarHBondContact O-N 2.81Å
232P67.3Low60.5Low110 Ų110152.5 Ų152.571%0.71473%0.734SS**  trans-48.2124.3-17117.4-30.1000105.5R234P232-R234 PolarHBondContact O-N 3.35Å
233P61.5Low59.2Low95 Ų95159 Ų15962%0.61775%0.751SS**  trans-46.7115.7-164.216.6-30.4000106F230 R235F230-P233 HydrophobicContact CE1-CB 4.26Å; P233-R235 VanDerWaalsContact C-N 3.34Å; P233-R235 WeakPolarHBondContact O-CA 3.44Å; P233-R235 PolarHBondContact O-N 2.83Å
234R58.4Low58.2Low232 Ų232163.7 Ų163.788%0.87577%0.77SS**  trans-43.6109.6-175.7-87.6-176172.5-1141.5104.2P232 R236P232-R234 PolarHBondContact O-N 3.35Å; R234-R236 VanDerWaalsContact C-N 3.29Å; R234-R236 PolarHBondContact O-N 2.83Å
235R52.1Low57Low238 Ų238170.4 Ų170.490%0.89878%0.782SS**  trans-50.1108.2-174.8-79.1-174177.6-158.20.2103.7P233 R237P233-R235 VanDerWaalsContact C-N 3.34Å; P233-R235 WeakPolarHBondContact O-CA 3.44Å; P233-R235 PolarHBondContact O-N 2.83Å; R235-R237 PolarHBondContact O-N 3.37Å
236R55.5Low56.7Low236 Ų236173.2 Ų173.289%0.89179%0.792SS**  trans-50.3119.9174.2-81.5-171.7172.5-145.10.1102.8R234 S238R234-R236 VanDerWaalsContact C-N 3.29Å; R234-R236 PolarHBondContact O-N 2.83Å; R236-S238 PolarHBondContact O-N 3.22Å
237R52.7Low56.7Low241 Ų241172.1 Ų172.191%0.90979%0.787SS**  trans-29.6118.5177.2-78.4174.6170.4166-4.1106.7R235R235-R237 PolarHBondContact O-N 3.37Å
238S59.5Low56.7Low108 Ų108174 Ų17476%0.75579%0.793SS**  trans-36.3128-176.2-57.40000108.7R236R236-S238 PolarHBondContact O-N 3.22Å
239P63.4Low56.7Low107 Ų107166.5 Ų166.570%0.69578%0.777SS**PPolyproline II helixtrans-51137.417722-31.1000107.1R241P239-R241 PolarHBondContact O-N 2.54Å
240P61.7Low57.1Low122 Ų122161.7 Ų161.779%0.79278%0.775SS**PPolyproline II helixtrans-50.1122.6-179.620.5-30.9000107.3
241R60.5Low56.8Low230 Ų230163.7 Ų163.787%0.86878%0.777SS**PPolyproline II helixtrans-50.1128.2-179-69.1179.7177.4-116.72.9107.3P239 R243P239-R241 PolarHBondContact O-N 2.54Å; R241-R243 PolarHBondContact O-N 3.29Å
242P58.4Low56.1Low100 Ų100170.7 Ų170.765%0.64979%0.789SS**  trans-52.4114.8178.1-24.331.8000108.9Y244P242-Y244 HydrophobicContact CB-CE2 4.21Å; P242-Y244 PolarHBondContact O-N 2.99Å
243R57.1Low54.9Low237 Ų237172.9 Ų172.989%0.89479%0.787SS**SBendtrans-82.339.2-172.4-152.1-179.9-164.7177.63.7110.5R241R241-R243 PolarHBondContact O-N 3.29Å
244Y49Very low53.8Low178 Ų178178.7 Ų178.770%0.69880%0.797SS**  trans-171.273.7-172.832.9-96.8000111.4P242P242-Y244 HydrophobicContact CB-CE2 4.21Å; P242-Y244 PolarHBondContact O-N 2.99Å
245W41.9Very low53.1Low246 Ų246179.1 Ų179.193%0.93280%0.799SS**  trans-148.970.5139.7-89.997.2000105.6P247W245-P247 WeakPolarHBondContact O-CD 3.34Å
246R54.1Low52.4Low219 Ų219177.3 Ų177.383%0.82679%0.792SS**  trans-79.8112.8164.6-167.5168.5-177.7-1153105.1
247P59.2Low51.7Low101 Ų101171.3 Ų171.366%0.65679%0.786SS**PPolyproline II helixtrans-56.91421765.4-4.2000108.6W245 S249W245-P247 WeakPolarHBondContact O-CD 3.34Å; P247-S249 PolarHBondContact O-N 2.96Å
248P58.3Low51.1Low126 Ų126170.1 Ų170.182%0.81878%0.782SS**PPolyproline II helixtrans-53.5118.7175.8-21.631.1000108.7
249S56.7Low50.3Low84 Ų84170.6 Ų170.659%0.58779%0.785SS**PPolyproline II helixtrans-52.5133.1174.644.90000108.8P247 R251P247-S249 PolarHBondContact O-N 2.96Å; S249-R251 PolarHBondContact O-N 2.87Å
250P60Low49.3Very low119 Ų119168.8 Ų168.877%0.77379%0.786SS**PPolyproline II helixtrans-51.5130.3-179-23.330.6000109.5R252P250-R252 PolarHBondContact O-N 3.3Å
251R45.6Very low48.6Very low213 Ų213167.8 Ų167.880%0.80478%0.782SS**  trans-57.386.4175.6-69.8175.6171.4-118.12.7109.5S249 F253S249-R251 PolarHBondContact O-N 2.87Å; R251-F253 VanDerWaalsContact C-N 3.33Å; R251-F253 HydrophobicContact CB-CD2 4.12Å; R251-F253 HydrophobicContact CB-CE2 4.1Å; R251-F253 HydrophobicContact CG-CE2 4.44Å; R251-F253 PolarHBondContact O-N 3.29Å
252R44.9Very low47.3Very low242 Ų242166.2 Ų166.291%0.91378%0.782SS**  trans-87.486.5156.8-78.8-168-169.5-177.44.6107.2P250 R254P250-R252 PolarHBondContact O-N 3.3Å; R252-R254 PolarHBondContact O-N 3.09Å; R252-R254 VanDerWaalsContact O-N 3.15Å
253F42.5Very low46.9Very low156 Ų156170.3 Ų170.368%0.68479%0.792SS**  trans-52.3118.1160.1-80.8-83.9000109R251R251-F253 VanDerWaalsContact C-N 3.33Å; R251-F253 HydrophobicContact CB-CD2 4.12Å; R251-F253 HydrophobicContact CB-CE2 4.1Å; R251-F253 HydrophobicContact CG-CE2 4.44Å; R251-F253 PolarHBondContact O-N 3.29Å
254R37.9Very low46.1Very low217 Ų217169.6 Ų169.682%0.81979%0.789SS**  trans40.192.6152.5-74.2178.6169.8-178.6-1.9116.3R252R252-R254 PolarHBondContact O-N 3.09Å; R252-R254 VanDerWaalsContact O-N 3.15Å
255R44.8Very low45.7Very low241 Ų241170.1 Ų170.191%0.90979%0.79SS**  trans-111.6101.4131.9-78.4-165.7178.7-131.31.5108.2S257R255-S257 VanDerWaalsContact C-N 3.28Å; R255-S257 PolarHBondContact O-N 3.24Å
256R37.7Very low45.5Very low201 Ų201168.5 Ų168.576%0.75878%0.784SS**  trans-73.183.9177.4-173.3162-172.3168.60.1108
257S39.5Very low45.3Very low109 Ų109162.9 Ų162.976%0.76278%0.778SS**  trans-104.682.3167-51.50000106.8R255 S259R255-S257 VanDerWaalsContact C-N 3.28Å; R255-S257 PolarHBondContact O-N 3.24Å; S257-S259 PolarHBondContact O-N 2.87Å; S257-S259 VanDerWaalsContact O-N 3.12Å
258R40.1Very low44.4Very low217 Ų217169.2 Ų169.282%0.81979%0.789SS**  trans-69106.5173.7-139175.5-171.6-161.3-1.1106.3
259S42.3Very low44Very low117 Ų117168.2 Ų168.282%0.81879%0.785SS**  trans-58.5148.3158.766.40000108.2S257S257-S259 PolarHBondContact O-N 2.87Å; S257-S259 VanDerWaalsContact O-N 3.12Å
260G42.8Very low43.8Very low70 Ų70169.1 Ų169.172%0.72279%0.789SS**  trans170.961.2-177.400000110.8F262G260-F262 PolarHBondContact O-N 3.22Å
261S46.7Very low43.2Very low101 Ų101172.3 Ų172.371%0.70679%0.785SS**  trans-30.2129.3159.845.40000113.3
262F34.6Very low43.2Very low197 Ų197170.1 Ų170.186%0.86478%0.777SS**  trans30.6100.9134.2-57.2-84.5000116.7G260G260-F262 PolarHBondContact O-N 3.22Å
263Q49.3Very low43.4Very low186 Ų186164.6 Ų164.687%0.86977%0.765SS**  trans-161.2109.4130.8-108.1162.7-15.100110.8
264R40.6Very low43.9Very low222 Ų222161.2 Ų161.284%0.83877%0.766SS**  trans37.6104.9135.8-75.6175.4172.6-115.20.3116.3
265R40.7Very low44.3Very low189 Ų189161.8 Ų161.871%0.71377%0.768SS**  79119.387.9-83.2-173.6179.3-124.6-2.5113.1
266R38.3Very low44.5Very low212 Ų212155.7 Ų155.780%0.876%0.762SS**  trans72.1132.9146.1-63.1172.9172.7-151.7-4.6114
267S49.6Very low45.4Very low101 Ų101154.6 Ų154.671%0.70677%0.765SS**  cis-166.7130.617.24.30000106.2
268R40.3Very low46.1Very low234 Ų234158.2 Ų158.288%0.88379%0.791SS**  55.992.7108.5-70.2-172.5173.6-156.9-2.1112.8
269S50Low46.4Very low105 Ų105155.3 Ų155.373%0.73479%0.79SS**  87.9164.598.661.30000111.6
270P50.8Low46.7Very low103 Ų103157.3 Ų157.367%0.66979%0.788SS**  cis-127.2160.6-3.16.122.4000112.5
271R47.5Very low46.9Very low185 Ų185162.2 Ų162.270%0.69879%0.792SS**  58110.192.1-132.3-173.7164.1-169.4-1109.3
272W45.9Very low46.9Very low167 Ų167165.8 Ų165.863%0.63380%0.797SS**  167.5157.277-91.3120000113
273L50.1Low47.7Very low127 Ų127163.8 Ų163.867%0.66579%0.793SS**  trans64.6110133.3-66154.3000117.8
274A52.5Low47.5Very low85 Ų85162.3 Ų162.370%0.70279%0.788SS**  83.7134.971.200000113.7
275R46.7Very low48Very low229 Ų229158.1 Ų158.186%0.86478%0.784SS**  13598.9116.2-155.1160.2-177.2-110.90.6112.4
276S48.9Very low48.6Very low112 Ų112155.7 Ų155.778%0.78379%0.789SS**  trans-99.3135.1148.751.40000108.1
277H55.6Low49.5Very low178 Ų178151 Ų15182%0.82479%0.789SS**  trans-40.1150.9174.1-5387.5000113.3
278S55.7Low49.5Very low186 Ų186155.5 Ų155.5100%1.30180%0.796SS**  cis-157.4036.153.50000110.5

Retrieved 278 of 278 residues in 79 ms (Link to these results)