A0A087WQF6_MOUSE Loading...

R3H domain containing 1

AlphaFold DB , UniProt , Accession A0A087WQF6, Species MOUSE (Mus musculus, Mouse), Gene R3hdm1, Length 287 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
1M42Very low45Very low227 Ų227147.7 Ų147.7100%1.11874%0.74SS**  0114.70-158.999.48700107.1
2R43.9Very low44.6Very low222 Ų222148.2 Ų148.284%0.83874%0.738SS**  trans19.9120.6155.5-52.2-170.7174.2122.2-1.1118
3M46Very low44.2Very low171 Ų171145.5 Ų145.584%0.84274%0.735SS**  50.4130.171.4-67.1-167.376.200111.3
4S56.1Low43.9Very low73 Ų73146.9 Ų146.951%0.5174%0.738SS.*  cis-157.7171.826-55.20000107.6
5D45Very low43.4Very low173 Ų173144.1 Ų144.193%0.92573%0.731SS**  -142.4150.594.4-85.1-30.6000114.7
6I48.9Very low42.9Very low108 Ų108143.7 Ų143.755%0.55473%0.728SS**  trans-118.8151.6-164.2-90.4160.5000107.6I8I6-I8 HydrophobicContact CG2-CD1 3.6Å; I6-I8 HydrophobicContact CG2-CG1 3.76Å
7V43.9Very low42.8Very low133 Ų133144.9 Ų144.981%0.80673%0.727SS**  trans167.393.4142167.10000104.9
8I42.4Very low42.5Very low123 Ų123144.9 Ų144.963%0.63173%0.73SS**  50.9124.572-27.7174.2000111.9I6I6-I8 HydrophobicContact CG2-CD1 3.6Å; I6-I8 HydrophobicContact CG2-CG1 3.76Å
9I41.3Very low42.4Very low137 Ų137146.2 Ų146.270%0.70374%0.738SS**  178120.170.6-81178.1000105
10K44.2Very low42.2Very low164 Ų164148.1 Ų148.171%0.71374%0.744SS**  65.1148.4100.6-68.1169.9140.3-98.40114
11D41.5Very low42Very low94 Ų94146 Ų14650%0.50375%0.75SS.*  cis-170.8166.96.9-123.1-27.5000109.9
12E40.1Very low42Very low153 Ų153143.3 Ų143.372%0.71573%0.734SS**  trans68144.5138.5-70.7165-173.800118.8
13T39Very low41.8Very low113 Ų113141.6 Ų141.669%0.69374%0.738SS**  cis-173.8150.57.828.60000105.1
14E39.8Very low41.6Very low166 Ų166142.7 Ų142.778%0.77673%0.733SS**  167.4122.992.6-105.3-171.915100106.7
15T37Very low40.5Very low105 Ų105145.9 Ų145.964%0.64474%0.744SS**  55.6133.6103.266.10000115
16M35.5Very low40Very low137 Ų137142.9 Ų142.968%0.67573%0.732SS**  cis-179155.419.6-116.7-173.8-46.800110
17K40.7Very low39.4Very low165 Ų165143.9 Ų143.972%0.71774%0.744SS**  trans76.5109.2136.3-71.9169.8175.4167.40122.8
18D37Very low38.9Very low144 Ų144147 Ų14777%0.7774%0.741SS**  15.5132.9117.1-58.2-30.8000119.7
19L40.7Very low38.9Very low169 Ų169147.3 Ų147.389%0.88575%0.749SS**  -173.1138.997.8-124.198.8000112.6
20E39.8Very low38.6Very low184 Ų184147 Ų14786%0.8674%0.744SS**  trans-67.8148.5160.5-69.3175.2134.200111.7
21A37.9Very low38.3Very low105 Ų105146.4 Ų146.487%0.86875%0.749SS**  trans-155.4117.4148.300000110.5
22E41.8Very low37.9Very low170 Ų170149.3 Ų149.379%0.79476%0.763SS**  trans-77.4139.9169-171.2-169.4-167.100110.4
23M38.2Very low38.1Very low186 Ų186149.6 Ų149.692%0.91677%0.768SS**  trans-164.6131.1145.5-166173.7-178.400111.1
24R43Very low38Very low195 Ų195153.4 Ų153.474%0.73678%0.775SS**  trans-83.1150.1174.2-54.5-159178.1-147.62.5111.1
25D32.2Very low38Very low139 Ų139150 Ų15074%0.74377%0.769SS**  167.5149.289.2-132-11.9000113.7
26T34.9Very low37.8Very low110 Ų110153.2 Ų153.268%0.67578%0.777SS**  trans53120.5152.630.30000124.9
27T36.7Very low37.6Very low130 Ų130152.9 Ų152.980%0.79878%0.778SS**  trans70.2111.3134.6-29.50000119.8
28R34.2Very low37Very low197 Ų197155.8 Ų155.874%0.74379%0.786SS**  -172.5116.4124.9-172.5166.3169.3147.11.5111.1E30R28-E30 IonicContact CZ-OE1 2.98Å; R28-E30 IonicContact CZ-OE2 3.22Å; R28-E30 IonicContact NE-OE1 2.62Å; R28-E30 IonicContact NE-OE2 3.3Å; R28-E30 PolarHBondContact NE-OE2 2.91Å; R28-E30 IonicContact NH2-OE1 2.66Å; R28-E30 PolarHBondContact NH2-OE1 2.8Å; R28-E30 IonicContact NH2-OE2 3.69Å; R28-E30 PolarHBondContact NH2-OE2 2.69Å
29V42.3Very low36.7Very low131 Ų131152 Ų15279%0.79478%0.782SS**  trans-68.6133.5165.3176.30000108.8
30E34.1Very low36.4Very low129 Ų129154.1 Ų154.160%0.60378%0.784SS**  trans-165.791.4155.1-109.8156.4-173.300110.9R28R28-E30 IonicContact CZ-OE1 2.98Å; R28-E30 IonicContact CZ-OE2 3.22Å; R28-E30 IonicContact NE-OE1 2.62Å; R28-E30 IonicContact NE-OE2 3.3Å; R28-E30 PolarHBondContact NE-OE2 2.91Å; R28-E30 IonicContact NH2-OE1 2.66Å; R28-E30 PolarHBondContact NH2-OE1 2.8Å; R28-E30 IonicContact NH2-OE2 3.69Å; R28-E30 PolarHBondContact NH2-OE2 2.69Å
31N37.1Very low36.2Very low152 Ų152153.7 Ų153.781%0.81379%0.786SS**  trans-78.3118.3161.3-81.3-37000108.3I33N31-I33 PolarHBondContact O-N 2.9Å
32L35Very low35.9Very low155 Ų155153.7 Ų153.781%0.81278%0.779SS**  trans-82.8100.1168.6-93.573.4000109.5
33I44.3Very low35.6Very low159 Ų159149.9 Ų149.982%0.81578%0.777SS**  trans-114.5114.8156.7-59.3175.3000106.5N31N31-I33 PolarHBondContact O-N 2.9Å
34K35.9Very low35.3Very low193 Ų193150.5 Ų150.584%0.83978%0.778SS**  trans-118.7139.2162.5-81.6-177.8177.4-178.10105.1
35S39.1Very low35.2Very low94 Ų94150.3 Ų150.366%0.65778%0.782SS**  cis-171148.524.439.60000110.5
36E33Very low35.1Very low173 Ų173152 Ų15281%0.80879%0.791SS**  trans57.1140.6138.5-70.4168.7131.800120.2
37N31.8Very low35.1Very low130 Ų130155.9 Ų155.970%0.69580%0.802SS**  cis-160.4162.327.1-147.7-17.5000113.2
38Y28.6Very low34.9Very low226 Ų226158.4 Ų158.489%0.88680%0.804SS**  trans-42.5162.2172.1-79.6-114000115.7
39G31.3Very low34.9Very low66 Ų66153.4 Ų153.468%0.6880%0.798SS**  cis-178.8170.917.200000112.3
40K34.3Very low34.7Very low212 Ų212154.7 Ų154.792%0.92280%0.799SS**  trans-61.7146.8-168.6-63.9162.5175.11760114.6
41I35.3Very low34.6Very low175 Ų175154.2 Ų154.290%0.89780%0.801SS**  trans-115.6118.4159.5-64.6172.4000108.3
42S30.7Very low34.4Very low106 Ų106153.1 Ų153.174%0.74180%0.795SS**  trans-83.1147.5170.7176.80000110
43A36Very low34.2Very low90 Ų90152.4 Ų152.474%0.74479%0.792SS**  trans-66.2144165.900000111.2
44E32.2Very low34.1Very low198 Ų198151.3 Ų151.393%0.92579%0.786SS**  trans-159140.5149.1-116.8171-170.500110.9
45K39.8Very low34Very low192 Ų192149.4 Ų149.484%0.83579%0.785SS**  trans-74152.4-179.6-66.9167.5173.4176.10110.2
46N30.1Very low34.1Very low173 Ų173151.4 Ų151.493%0.92579%0.788SS**  trans-162124.6140.2-91.2-30.7000110.8
47E36.3Very low34.1Very low193 Ų193151.4 Ų151.490%0.90279%0.788SS**  trans-73.7139.6161.6-76176.6115.700109.9
48H30.7Very low34.6Very low182 Ų182150.1 Ų150.184%0.84379%0.789SS**  -167.8138.6126.1-152.153.1000110.8
49C35.9Very low35.1Very low92 Ų92145.1 Ų145.162%0.62279%0.787SS**  trans-92.5141.8-179.6-165.10000109.8
50I37.6Very low36.1Very low159 Ų159147.5 Ų147.582%0.81579%0.793SS**  trans-144.8132.4147-69.8-154.8000110.4
51D32.4Very low37.1Very low119 Ų119146.8 Ų146.864%0.63679%0.79SS**  trans-77.9155.3-177.9-89.6-45.8000115.9
52N32.2Very low38.3Very low128 Ų128146.9 Ų146.968%0.68479%0.791SS**  trans59118.7141.9-59.6-33.7000121.9
53N31.9Very low39.9Very low140 Ų140151 Ų15175%0.74980%0.796SS**  178.812397.4-97.7-47.4000114.5
54I41.1Very low40.6Very low137 Ų137155.3 Ų155.370%0.70381%0.806SS**  trans22.4128.8137.15.9179.8000120.4
55D32.9Very low42Very low152 Ų152152.1 Ų152.181%0.81380%0.799SS**  -162.7155.3100.2-130.8-22.4000115
56L42.1Very low43.1Very low136 Ų136154.7 Ų154.771%0.71280%0.803SS**  trans-55.4148.5-173.7-94.261.1000117
57Q33.8Very low44.5Very low174 Ų174151.7 Ų151.781%0.81380%0.796SS**  160.1122.494-134.3174.4-2.200114.5
58S42.1Very low45.7Very low102 Ų102150.1 Ų150.171%0.71379%0.793SS**  trans40.6120.9147.864.10000123.7
59S39.6Very low46.8Very low121 Ų121145.6 Ų145.685%0.84679%0.787SS**  -173.1146.1111.849.60000112.4
60S50.3Low47.2Very low116 Ų116147.1 Ų147.181%0.81179%0.793SS**  trans-56.7128.2-163.551.30000117.2
61K57.2Low47.6Very low198 Ų198145.4 Ų145.486%0.86179%0.794SS**  trans-131.2115.2157.5-71.6-175.4179.7174.50109.9K63K61-K63 PolarHBondContact O-N 2.84Å
62L59.8Low48Very low176 Ų176148.4 Ų148.492%0.92180%0.804SS**  trans-57.4126.5175.8-60.2166.4000110
63K64Low49.1Very low194 Ų194151.5 Ų151.584%0.84381%0.814SS**  trans-120112.8163.6-76.8-172175.1178.40108.4K61 V65K61-K63 PolarHBondContact O-N 2.84Å; K63-V65 PolarHBondContact O-N 2.8Å
64L51.5Low49.9Very low180 Ų180150 Ų15094%0.94282%0.815SS**  trans-70.8115.9171.8-128.289.5000108.3
65V61.7Low50.7Low130 Ų130148.6 Ų148.679%0.78882%0.815SS**  trans-90.5123.7170.6178.80000107.8K63 S67K63-V65 PolarHBondContact O-N 2.8Å; V65-S67 PolarHBondContact O-N 2.75Å
66R61.8Low51.9Low246 Ų246147 Ų14793%0.92881%0.813SS**  trans-72.3106.9177.4-168.5-178.4-173.2118.2-1108.5
67S60.4Low52.3Low110 Ų110146.4 Ų146.477%0.76982%0.817SS**PPolyproline II helixtrans-65.7143.5175.145.20000111.6V65V65-S67 PolarHBondContact O-N 2.75Å
68L59.8Low52.7Low161 Ų161144.2 Ų144.284%0.84382%0.818SS**PPolyproline II helixtrans-67.1136.8-178.2-154140.9000110.3V70L68-V70 PolarHBondContact O-N 2.61Å
69A55.3Low52.4Low86 Ų86143.8 Ų143.871%0.71182%0.821SS**PPolyproline II helixtrans-77.7121.2178.100000110.1
70V44Very low52.2Low124 Ų124142.5 Ų142.575%0.75282%0.817SS**PPolyproline II helixtrans-83.8119.3169173.10000107.3L68L68-V70 PolarHBondContact O-N 2.61Å
71C44.8Very low51.3Low124 Ų124144.7 Ų144.784%0.83882%0.815SS**  trans-80.2114.9169.6-65.20000108.6
72E42.5Very low50Low181 Ų181142.2 Ų142.285%0.84681%0.809SS**  trans-85.5113.1164.2-79.6-96137.900108.2
73E54.2Low48.6Very low193 Ų193137.8 Ų137.890%0.90279%0.793SS**PPolyproline II helixtrans-81117.6173.7-178.6176138.300108.9
74S49.1Very low47Very low109 Ų109136.7 Ų136.776%0.76279%0.791SS**PPolyproline II helixtrans-98.3135.9179-179.40000110.7
75P58.7Low46Very low108 Ų108135.3 Ų135.370%0.70178%0.779SS**PPolyproline II helixtrans-83159.1-177.433.8-33.1000112.5
76P56.6Low44.7Very low118 Ų118136.1 Ų136.177%0.76679%0.785SS**PPolyproline II helixtrans-78.1150.6-176.132.6-34.3000112.2
77P51.3Low43.5Very low124 Ų124132.4 Ų132.481%0.80578%0.778SS**PPolyproline II helixtrans-80.9145.6176.131.5-30.9000112.1
78P41.8Very low42.3Very low128 Ų128136.1 Ų136.183%0.83178%0.783SS**PPolyproline II helixtrans-83163.4178.534.1-33.7000113
79A35.3Very low41.3Very low93 Ų93137.7 Ų137.777%0.76978%0.783SS**PPolyproline II helixtrans-84.4164.6-17900000114.4
80A36Very low40.8Very low93 Ų93140 Ų14077%0.76978%0.782SS**  trans73.9145.2159.700000115.9
81E31.4Very low40.2Very low162 Ų162142 Ų14276%0.75778%0.784SS**  cis-175.1154.413.2-132.7-174.3-173.900109.5
82I31.2Very low39.9Very low147 Ų147143.3 Ų143.375%0.75478%0.781SS**  trans47.7144.6156.922.878.8000121.6
83S28.8Very low39.3Very low82 Ų82142.2 Ų142.257%0.57378%0.776SS**  cis-172.2151.433.2-159.30000112.5
84Q32.1Very low38.6Very low172 Ų172140.5 Ų140.580%0.80477%0.772SS**  trans56.3146.7144.7-73.5164.4-24.300121
85E29.6Very low37.6Very low150 Ų150141.7 Ų141.770%0.70178%0.775SS**  cis-175.8123.7-1.3167.8-178.3173.600105.9
86T34.1Very low36.4Very low147 Ų147143.8 Ų143.890%0.90278%0.775SS**  trans-165.1124.5145.1-4.90000109.4
87Q36Very low35.1Very low169 Ų169143.6 Ų143.679%0.7978%0.777SS**  trans-81.7145-174.1-57.3-174-0.600111.5
88E35.3Very low33.9Very low188 Ų188146 Ų14688%0.87978%0.775SS**  -178.2109.6127.6-98.5171.4-176.500111.4
89K38.5Very low33.2Very low193 Ų193149.2 Ų149.284%0.83978%0.779SS**  trans44125130.6-109.9-171.2169.4-179.40118.3
90I46.3Very low33.1Very low135 Ų135153 Ų15369%0.69278%0.778SS**  cis-166.2111.333.8-71.2162.4000106.4
91Q30.9Very low32.7Very low166 Ų166155.5 Ų155.578%0.77677%0.773SS**  49.2118.2102.5-148.216860.900115.4
92I39.4Very low32.8Very low151 Ų151156.2 Ų156.277%0.77478%0.777SS**  -169.4101.783.1-71.3146.8000108.6
93Q29.4Very low33Very low159 Ų159158.2 Ų158.274%0.74378%0.78SS**  19.4109.7108.6-75.5-176.445.500116.7
94L39.1Very low33.6Very low156 Ų156160 Ų16082%0.81779%0.79SS**  43.1118.980.5-158.980.4000114
95T28.8Very low33.5Very low135 Ų135157.7 Ų157.783%0.82879%0.792SS**  -168.8132.4124.339.50000113
96Q33.5Very low33.7Very low151 Ų151160.2 Ų160.271%0.70680%0.801SS**  trans-69.7149.4162.6175.1-176.915.100112F98Q96-F98 HydrophobicContact CG-CD2 4.38Å
97S28.9Very low33.5Very low115 Ų115160.5 Ų160.580%0.80480%0.797SS**  trans-166.6103.1152.5-71.30000107.2
98F25Very low33.6Very low173 Ų173160.2 Ų160.276%0.75980%0.796SS**  44.3112.996.2-86.8-84.1000115.1Q96Q96-F98 HydrophobicContact CG-CD2 4.38Å
99E26.8Very low33.6Very low196 Ų196157.9 Ų157.992%0.91680%0.795SS**  -179.5166.5104.3-93.6-170.2144.200112.3
100K33.9Very low33.6Very low174 Ų174155.3 Ų155.376%0.75779%0.79SS**  trans-94.1164.1-158.5-107.3178.5162.7-147.10114.5
101E28.7Very low33.3Very low144 Ų144159 Ų15967%0.67380%0.801SS**  trans83.1122.6139.9-79.9175.4-15700123.3
102E32Very low33.6Very low178 Ų178158.8 Ų158.883%0.83280%0.8SS**  trans58.8146.2134.2-120.9-176.9139.100124.9
103K36.8Very low33.7Very low188 Ų188160.4 Ų160.482%0.81780%0.801SS**  trans-73.9-166.1-169.7-62.1175.7174.4172.90113.9
104P40.9Very low34.1Very low121 Ų121157.6 Ų157.679%0.78681%0.805SS**  -124.6162.3-55.831.1-14.7000111.6
105S30.8Very low34.1Very low122 Ų122155.3 Ų155.385%0.85380%0.803SS**  trans-154.5148155.659.20000113.3
106K33.1Very low34.5Very low203 Ų203155.3 Ų155.388%0.88380%0.798SS**  trans-48.1152.2176.3-61164.7177.4176.70111.3
107D29.9Very low35.5Very low154 Ų154157.3 Ų157.382%0.82480%0.804SS**  -175.5162.165-161.24.4000109.7
108E37.1Very low36.4Very low163 Ų163159.2 Ų159.276%0.76280%0.804SS**  trans-62.2159.5-178.5-62.9-151.4143.900114.7
109T35.6Very low37.4Very low138 Ų138156.6 Ų156.685%0.84781%0.805SS**  -178.2132.3118.4-57.90000110.1
110D38.6Very low38.5Very low140 Ų140157.5 Ų157.575%0.74980%0.8SS**  trans-49.2146.2173.5-71.4-63.4000116.1
111K39.5Very low39.3Very low213 Ų213158.5 Ų158.593%0.92680%0.804SS**  -176.4142.2118.9-100.6172.7-175.8179.20114.8
112E38.8Very low40Very low161 Ų161159 Ų15975%0.75281%0.808SS**  trans-68.7160.1-175.7-80.2-173.2159.800117.3
113K41Very low40.9Very low184 Ų184157.6 Ų157.680%0.881%0.806SS**  trans75.1114.1150-75.4172.5-166.6-175.50119.3
114A36.4Very low41.4Very low100 Ų100153.6 Ų153.683%0.82680%0.801SS**  172.2144.992.100000111.4
115S40.4Very low42Very low109 Ų109157.8 Ų157.876%0.76280%0.802SS**  trans-57.6137.5174.249.90000114.7
116D36.6Very low42.7Very low135 Ų135156.5 Ų156.572%0.72279%0.785SS**  -167.5162.7118.2-127.4-40.8000112.7
117K53.9Low43.5Very low192 Ų192151.6 Ų151.684%0.83578%0.776SS**  trans-66.4119.4-152.6-64.4154.7-173.5-174.20115.6
118L48.2Very low44.5Very low155 Ų155146.7 Ų146.781%0.81275%0.754SS**  trans-99.5134.6149.7-76.6164.6000108.2R120L118-R120 VanDerWaalsContact C-N 3.28Å; L118-R120 PolarHBondContact O-N 2.88Å
119P47Very low45.2Very low118 Ų118145.3 Ų145.377%0.76675%0.748SS**  trans-68.695.9174.129.5-29.3000106.5K121P119-K121 VanDerWaalsContact C-N 3.34Å; P119-K121 PolarHBondContact O-N 3.24Å
120R49.8Very low46.8Very low216 Ų216144.8 Ų144.882%0.81574%0.736SS**  trans-53.5110.2158.3-69.4-177.9-164.4157.44.2104.2L118 M122L118-R120 VanDerWaalsContact C-N 3.28Å; L118-R120 PolarHBondContact O-N 2.88Å; R120-M122 HydrophobicContact CB-CG 4.11Å; R120-M122 PolarHBondContact O-N 3.04Å
121K49.8Very low48.8Very low194 Ų194140.4 Ų140.484%0.84371%0.709SS**  trans-61.381.5158.1-71.2-170.9178.4-175.50105.6P119 L123P119-K121 VanDerWaalsContact C-N 3.34Å; P119-K121 PolarHBondContact O-N 3.24Å; K121-L123 PolarHBondContact O-N 3.41Å
122M43Very low51Low155 Ų155133 Ų13376%0.76468%0.682SS**  trans-66.885155.1-60-144.172.500103.4R120 S124R120-M122 HydrophobicContact CB-CG 4.11Å; R120-M122 PolarHBondContact O-N 3.04Å; M122-S124 PolarHBondContact O-N 3.14Å
123L52Low53.3Low149 Ų149126.5 Ų126.578%0.7865%0.652SS**  trans-6194.5144.7-62.5-178.7000102.6K121 R125K121-L123 PolarHBondContact O-N 3.41Å; L123-R125 PolarHBondContact O-N 3.18Å
124S46.6Very low55.2Low103 Ų103123.6 Ų123.672%0.7266%0.655SS**  trans-42.7101.1148-178.80000103.3M122 D126M122-S124 PolarHBondContact O-N 3.14Å; S124-D126 PolarHBondContact O-N 3.04Å
125R54Low57.6Low210 Ų210123.8 Ų123.879%0.79265%0.646SS**  trans-69.782.4175.6178.7167.5176.5168.6-3.1102.5L123 S127L123-R125 PolarHBondContact O-N 3.18Å; R125-S127 PolarHBondContact O-N 2.94Å
126D44.7Very low59.7Low94 Ų94121.2 Ų121.250%0.50364%0.637SS.*  trans-51.9128.5-176.6-178.116.3000106.3S124 S128 Q129S124-D126 PolarHBondContact O-N 3.04Å; D126-S128 PolarHBondContact O-N 3.08Å; D126-S128 WeakPolarHBondContact OD2-CB 3.47Å; D126-S128 PolarHBondContact OD2-OG 3.18Å; D126-Q129 PolarHBondContact O-N 3.17Å
127S49.8Very low62.3Low101 Ų101117.4 Ų117.471%0.70662%0.616SS**G310 helixtrans-58.2-10.3-176.2-173.40000112.1R125 Q129R125-S127 PolarHBondContact O-N 2.94Å; S127-Q129 VanDerWaalsContact C-N 3.34Å
128S51.7Low64.2Low51 Ų51110.9 Ų110.936%0.35759%0.59SS.*G310 helixtrans-71.1-18.2174.464.50000114.9D126 E130 Y131D126-S128 PolarHBondContact O-N 3.08Å; D126-S128 WeakPolarHBondContact OD2-CB 3.47Å; D126-S128 PolarHBondContact OD2-OG 3.18Å; S128-E130 PolarHBondContact O-N 3.03Å; S128-E130 VanDerWaalsContact O-N 3.14Å; S128-Y131 PolarHBondContact O-N 3.46Å
129Q52.9Low66.3Low134 Ų134103.6 Ų103.663%0.62655%0.552SS**G310 helixtrans-66.8-18.4-174.7-156.2106.941.400113.7D126 S127 Y131D126-Q129 PolarHBondContact O-N 3.17Å; S127-Q129 VanDerWaalsContact C-N 3.34Å; Q129-Y131 PolarHBondContact O-N 2.89Å
130E67.2Low68.4Low127 Ų127100.9 Ų100.959%0.59353%0.529SS*.G310 helixtrans-74.9-12.3178.1-80.7175.8-170.900113.7S128 R218S128-E130 PolarHBondContact O-N 3.03Å; S128-E130 VanDerWaalsContact O-N 3.14Å; E130-R218 IonicContact OE2-NH1 2.91Å
131Y81.3Confident70.5Confident47 Ų4797 Ų9718%0.18452%0.52CS..G310 helixtrans-114.418.2-176.9-64.2-68.8000113.4S128 Q129 L139 Y195S128-Y131 PolarHBondContact O-N 3.46Å; Q129-Y131 PolarHBondContact O-N 2.89Å; Y131-L139 WeakPolarHBondContact O-CA 3.15Å; Y131-L139 WeakPolarHBondContact O-CB 3.08Å; Y131-L139 WeakPolarHBondContact O-CD1 3.49Å; Y131-L139 WeakPolarHBondContact O-CG 3.21Å; Y131-L139 PolarHBondContact O-N 3.34Å; Y131-Y195 AromaticContact CD1-CD2 3.42Å; Y131-Y195 HydrophobicContact CD1-CD2 3.42Å; Y131-Y195 VanDerWaalsContact CD1-CD2 3.42Å; Y131-Y195 AromaticContact CD1-CE2 3.37Å; Y131-Y195 HydrophobicContact CD1-CE2 3.37Å; Y131-Y195 HydrophobicContact CD1-CG 4.45Å; Y131-Y195 AromaticContact CE1-CD2 3.78Å; Y131-Y195 HydrophobicContact CE1-CD2 3.78Å; Y131-Y195 AromaticContact CE1-CE2 3.45Å; Y131-Y195 HydrophobicContact CE1-CE2 3.45Å; Y131-Y195 VanDerWaalsContact CE1-CE2 3.45Å; Y131-Y195 HydrophobicContact CG-CD2 4.48Å; Y131-Y195 HydrophobicContact CG-CE2 4.3Å
132T85.5Confident72.6Confident59 Ų5989.3 Ų89.336%0.36249%0.487SS..BIsolated β-bridgetrans-98.7134.3175.9-50.30000111.5G136 I137T132-G136 VanDerWaalsContact CG2-C 3.45Å; T132-I137 WeakPolarHBondContact CA-O 3.38Å
133D87.1Confident75Confident23 Ų2382.1 Ų82.112%0.12345%0.451CS..  trans-80.2173.7175.283.7-6.5000113.3T135 G136 I137 L139 R191D133-T135 PolarHBondContact O-N 2.94Å; D133-T135 VanDerWaalsContact O-N 3.08Å; D133-T135 WeakPolarHBondContact OD1-CA 3.13Å; D133-T135 WeakPolarHBondContact OD1-CB 3.38Å; D133-T135 PolarHBondContact OD1-N 3.19Å; D133-T135 PolarHBondContact OD1-OG1 2.77Å; D133-T135 PolarHBondContact OD2-OG1 3.01Å; D133-G136 PolarHBondContact O-N 3.28Å; D133-G136 PolarHBondContact OD1-N 3.41Å; D133-I137 PolarHBondContact N-O 3.36Å; D133-I137 WeakPolarHBondContact OD1-CB 3.5Å; D133-I137 PolarHBondContact OD1-N 2.83Å; D133-L139 HydrophobicContact CB-CD1 4.47Å; D133-L139 HydrophobicContact CB-CD2 3.78Å; D133-L139 HydrophobicContact CB-CG 4.15Å; D133-R191 IonicContact OD2-NE 3.56Å
134S81.4Confident76.9Confident123 Ų12375.9 Ų75.986%0.8642%0.419SS*.THydrogen-bonded Turntrans-62.8-12.5176.752.50000114.3
135T86.8Confident79.2Confident104 Ų10475 Ų7564%0.63841%0.407SS*.THydrogen-bonded Turntrans-90.7-8.5175.1-34.50000111.8D133 I137D133-T135 PolarHBondContact O-N 2.94Å; D133-T135 VanDerWaalsContact O-N 3.08Å; D133-T135 WeakPolarHBondContact OD1-CA 3.13Å; D133-T135 WeakPolarHBondContact OD1-CB 3.38Å; D133-T135 PolarHBondContact OD1-N 3.19Å; D133-T135 PolarHBondContact OD1-OG1 2.77Å; D133-T135 PolarHBondContact OD2-OG1 3.01Å; T135-I137 HydrophobicContact CG2-CD1 4.05Å; T135-I137 HydrophobicContact CG2-CG1 4.4Å
136G85.5Confident81.1Confident56 Ų5665.2 Ų65.258%0.57737%0.37SS*.SBendtrans85.614.3-175.900000114.1T132 D133T132-G136 VanDerWaalsContact CG2-C 3.45Å; D133-G136 PolarHBondContact O-N 3.28Å; D133-G136 PolarHBondContact OD1-N 3.41Å
137I90.5Very high83.4Confident54 Ų5460.8 Ų60.828%0.27735%0.346SS..  trans-88.2135.4-178.6-59.1166.9000109.2T132 D133 T135 L139 F142T132-I137 WeakPolarHBondContact CA-O 3.38Å; D133-I137 PolarHBondContact N-O 3.36Å; D133-I137 WeakPolarHBondContact OD1-CB 3.5Å; D133-I137 PolarHBondContact OD1-N 2.83Å; T135-I137 HydrophobicContact CG2-CD1 4.05Å; T135-I137 HydrophobicContact CG2-CG1 4.4Å; I137-L139 PolarHBondContact O-N 2.91Å; I137-F142 HydrophobicContact CG2-CB 4.18Å
138D93.3Very high85.3Confident55 Ų5561.2 Ų61.229%0.29434%0.336SS..BIsolated β-bridgetrans-68.4111.7168.2-179.339.5000110.1H140 E141 F142D138-H140 VanDerWaalsContact C-N 3.29Å; D138-H140 PolarHBondContact O-N 2.93Å; D138-E141 HydrophobicContact CB-CB 4.13Å; D138-E141 WeakPolarHBondContact OD2-CB 3.35Å; D138-E141 PolarHBondContact OD2-N 3.17Å; D138-F142 WeakPolarHBondContact O-CB 3.48Å; D138-F142 PolarHBondContact O-N 3.2Å
139L92.6Very high87.2Confident2 Ų263.4 Ų63.41%0.0134%0.344CS..Hα-helixtrans-64.6-38-177.6-68.1169.8000110.9Y131 D133 I137 F142 L143 R191 A194 Y195Y131-L139 WeakPolarHBondContact O-CA 3.15Å; Y131-L139 WeakPolarHBondContact O-CB 3.08Å; Y131-L139 WeakPolarHBondContact O-CD1 3.49Å; Y131-L139 WeakPolarHBondContact O-CG 3.21Å; Y131-L139 PolarHBondContact O-N 3.34Å; D133-L139 HydrophobicContact CB-CD1 4.47Å; D133-L139 HydrophobicContact CB-CD2 3.78Å; D133-L139 HydrophobicContact CB-CG 4.15Å; I137-L139 PolarHBondContact O-N 2.91Å; L139-F142 PolarHBondContact O-N 3.18Å; L139-L143 WeakPolarHBondContact O-CB 3.48Å; L139-L143 WeakPolarHBondContact O-CD1 3.12Å; L139-L143 WeakPolarHBondContact O-CG 3.5Å; L139-L143 PolarHBondContact O-N 2.84Å; L139-R191 HydrophobicContact CD2-CB 3.7Å; L139-R191 HydrophobicContact CD2-CG 3.87Å; L139-A194 HydrophobicContact CD1-CB 3.65Å; L139-A194 HydrophobicContact CD2-CB 4.44Å; L139-Y195 HydrophobicContact CB-CD2 4.06Å
140H91.6Very high89.1Confident61 Ų6160.4 Ų60.428%0.28233%0.332SS..Hα-helixtrans-65.8-53.5-178.1-174.976.5000110.5D138 F142 L143 V144 Y195 Q222 H227D138-H140 VanDerWaalsContact C-N 3.29Å; D138-H140 PolarHBondContact O-N 2.93Å; H140-F142 VanDerWaalsContact C-N 3.3Å; H140-F142 PolarHBondContact O-N 2.66Å; H140-L143 PolarHBondContact O-N 2.83Å; H140-V144 WeakPolarHBondContact O-CB 3.35Å; H140-V144 VanDerWaalsContact O-CG2 3.3Å; H140-V144 WeakPolarHBondContact O-CG2 3.1Å; H140-V144 PolarHBondContact O-N 3.38Å; H140-Y195 HydrophobicContact CB-CE2 4.26Å; H140-Q222 PolarHBondContact CE1-OE1 2.66Å; H140-H227 AromaticContact CE1-NE2 3.93Å
141E92.8Very high90.2Very high135 Ų13557.8 Ų57.863%0.63133%0.326SS*.Hα-helixtrans-53.7-47.4174-177.6179.5-176.700111.6D138 L143 V144 N145D138-E141 HydrophobicContact CB-CB 4.13Å; D138-E141 WeakPolarHBondContact OD2-CB 3.35Å; D138-E141 PolarHBondContact OD2-N 3.17Å; E141-L143 PolarHBondContact O-N 3.3Å; E141-V144 PolarHBondContact O-N 3.03Å; E141-N145 WeakPolarHBondContact O-CB 3.44Å; E141-N145 PolarHBondContact O-N 2.73Å
142F94.4Very high90.7Very high33 Ų3366.2 Ų66.215%0.14536%0.357CS..Hα-helixtrans-59-47.7179.3172-101.1000112.7I137 D138 L139 H140 T146 M187 L188 R191I137-F142 HydrophobicContact CG2-CB 4.18Å; D138-F142 WeakPolarHBondContact O-CB 3.48Å; D138-F142 PolarHBondContact O-N 3.2Å; L139-F142 PolarHBondContact O-N 3.18Å; H140-F142 VanDerWaalsContact C-N 3.3Å; H140-F142 PolarHBondContact O-N 2.66Å; F142-T146 WeakPolarHBondContact CE2-OG1 3.49Å; F142-T146 VanDerWaalsContact CZ-OG1 3.29Å; F142-T146 WeakPolarHBondContact CZ-OG1 3.5Å; F142-T146 VanDerWaalsContact O-CB 3.29Å; F142-T146 WeakPolarHBondContact O-CB 3.39Å; F142-T146 PolarHBondContact O-N 2.99Å; F142-T146 PolarHBondContact O-OG1 3.14Å; F142-M187 HydrophobicContact CZ-CE 4.1Å; F142-L188 HydrophobicContact CE1-CD2 3.95Å; F142-L188 HydrophobicContact CZ-CD2 3.79Å; F142-R191 HydrophobicContact CD1-CB 4.42Å; F142-R191 VanDerWaalsContact CD1-CD 3.41Å; F142-R191 HydrophobicContact CE1-CB 4.39Å
143L93.9Very high91.1Very high3 Ų364.4 Ų64.42%0.01635%0.345CS..Hα-helixtrans-65-47.2-178.4-71.8167.1000110.6L139 H140 E141 N145 T146 L147 L157 V192 Y195 F224L139-L143 WeakPolarHBondContact O-CB 3.48Å; L139-L143 WeakPolarHBondContact O-CD1 3.12Å; L139-L143 WeakPolarHBondContact O-CG 3.5Å; L139-L143 PolarHBondContact O-N 2.84Å; H140-L143 PolarHBondContact O-N 2.83Å; E141-L143 PolarHBondContact O-N 3.3Å; L143-N145 PolarHBondContact O-N 2.86Å; L143-T146 PolarHBondContact O-N 2.99Å; L143-L147 WeakPolarHBondContact O-CB 3.32Å; L143-L147 WeakPolarHBondContact O-CD1 3.34Å; L143-L147 WeakPolarHBondContact O-CG 3.29Å; L143-L147 PolarHBondContact O-N 3.29Å; L143-L157 HydrophobicContact CD2-CD1 4.32Å; L143-L157 HydrophobicContact CD2-CD2 3.79Å; L143-V192 HydrophobicContact CD2-CG2 3.88Å; L143-Y195 HydrophobicContact CD1-CD1 3.83Å; L143-Y195 HydrophobicContact CD1-CD2 3.69Å; L143-Y195 HydrophobicContact CD1-CE1 4.29Å; L143-Y195 HydrophobicContact CD1-CE2 4.2Å; L143-Y195 HydrophobicContact CD1-CG 3.51Å; L143-F224 HydrophobicContact CD1-CE1 3.88Å; L143-F224 HydrophobicContact CD1-CZ 3.87Å; L143-F224 HydrophobicContact CD2-CE1 4.46Å; L143-F224 HydrophobicContact CD2-CE2 4.42Å; L143-F224 HydrophobicContact CD2-CZ 3.93Å; L143-F224 HydrophobicContact CG-CZ 4.42Å
144V92.3Very high91.4Very high18 Ų1866.1 Ų66.111%0.10935%0.35CS..Hα-helixtrans-62.8-43.4178.9175.30000111.5H140 E141 K148 H227H140-V144 WeakPolarHBondContact O-CB 3.35Å; H140-V144 VanDerWaalsContact O-CG2 3.3Å; H140-V144 WeakPolarHBondContact O-CG2 3.1Å; H140-V144 PolarHBondContact O-N 3.38Å; E141-V144 PolarHBondContact O-N 3.03Å; V144-K148 HydrophobicContact CG1-CD 4.03Å; V144-K148 WeakPolarHBondContact O-CB 3.43Å; V144-K148 VanDerWaalsContact O-CG 3.32Å; V144-K148 WeakPolarHBondContact O-CG 3.14Å; V144-K148 PolarHBondContact O-N 3.36Å; V144-K148 VanDerWaalsContact O-N 3.11Å; V144-H227 VanDerWaalsContact CG2-CD2 3.44Å; V144-H227 WeakPolarHBondContact CG2-CD2 3.3Å; V144-H227 VanDerWaalsContact CG2-NE2 3.26Å; V144-H227 WeakPolarHBondContact CG2-NE2 3.26Å
145N93.7Very high92Very high86 Ų8666.8 Ų66.846%0.4634%0.341SS..Hα-helixtrans-63.1-44.1177.2-173.358.9000111.5E141 L143 K148 N149E141-N145 WeakPolarHBondContact O-CB 3.44Å; E141-N145 PolarHBondContact O-N 2.73Å; L143-N145 PolarHBondContact O-N 2.86Å; N145-K148 PolarHBondContact O-N 3.47Å; N145-N149 WeakPolarHBondContact O-CB 3.46Å; N145-N149 PolarHBondContact O-N 2.88Å; N145-N149 PolarHBondContact O-ND2 3.34Å; N145-N149 PolarHBondContact OD1-ND2 3.41Å
146T93.9Very high92.4Very high3 Ų363.3 Ų63.32%0.01832%0.318CS..Hα-helixtrans-67.4-42.6179.4-56.30000111.6F142 L143 K148 N150 D153 L157F142-T146 WeakPolarHBondContact CE2-OG1 3.49Å; F142-T146 VanDerWaalsContact CZ-OG1 3.29Å; F142-T146 WeakPolarHBondContact CZ-OG1 3.5Å; F142-T146 VanDerWaalsContact O-CB 3.29Å; F142-T146 WeakPolarHBondContact O-CB 3.39Å; F142-T146 PolarHBondContact O-N 2.99Å; F142-T146 PolarHBondContact O-OG1 3.14Å; L143-T146 PolarHBondContact O-N 2.99Å; T146-K148 VanDerWaalsContact C-N 3.27Å; T146-K148 PolarHBondContact O-N 2.73Å; T146-N150 HydrophobicContact CG2-CB 4.47Å; T146-N150 PolarHBondContact O-N 3.44Å; T146-D153 HydrophobicContact CG2-CB 3.57Å; T146-L157 HydrophobicContact CG2-CD1 3.8Å
147L93.1Very high92.9Very high1 Ų160.7 Ų60.71%0.00529%0.291CS..Hα-helixtrans-60.7-36.7176.6-74.9165.4000112.1L143 R154 L157 F224 H227L143-L147 WeakPolarHBondContact O-CB 3.32Å; L143-L147 WeakPolarHBondContact O-CD1 3.34Å; L143-L147 WeakPolarHBondContact O-CG 3.29Å; L143-L147 PolarHBondContact O-N 3.29Å; L147-R154 HydrophobicContact CD2-CG 4.24Å; L147-R154 VanDerWaalsContact O-CZ 3.27Å; L147-R154 PolarHBondContact O-NE 2.94Å; L147-R154 PolarHBondContact O-NH2 3.44Å; L147-L157 HydrophobicContact CD2-CB 3.95Å; L147-L157 HydrophobicContact CD2-CD1 3.83Å; L147-L157 HydrophobicContact CG-CD1 3.83Å; L147-F224 HydrophobicContact CD1-CB 3.68Å; L147-F224 HydrophobicContact CD1-CD1 4.05Å; L147-F224 HydrophobicContact CD1-CG 3.89Å; L147-F224 HydrophobicContact CD2-CB 4.01Å; L147-F224 HydrophobicContact CD2-CG 4.5Å; L147-H227 HydrophobicContact CD1-CB 4.15Å
148K90.3Very high93.2Very high110 Ų11060.3 Ų60.348%0.47829%0.289SS..Hα-helixtrans-77.5-45.9-179.8-73.1173-178.9170.50112.7V144 N145 T146 R154V144-K148 HydrophobicContact CG1-CD 4.03Å; V144-K148 WeakPolarHBondContact O-CB 3.43Å; V144-K148 VanDerWaalsContact O-CG 3.32Å; V144-K148 WeakPolarHBondContact O-CG 3.14Å; V144-K148 PolarHBondContact O-N 3.36Å; V144-K148 VanDerWaalsContact O-N 3.11Å; N145-K148 PolarHBondContact O-N 3.47Å; T146-K148 VanDerWaalsContact C-N 3.27Å; T146-K148 PolarHBondContact O-N 2.73Å; K148-R154 PolarHBondContact O-NH2 2.91Å
149N90.8Very high93.3Very high98 Ų9863.6 Ų63.652%0.52430%0.301SS..Hα-helixtrans-91-25.2-168-62.1-37.4000114.6N145N145-N149 WeakPolarHBondContact O-CB 3.46Å; N145-N149 PolarHBondContact O-N 2.88Å; N145-N149 PolarHBondContact O-ND2 3.34Å; N145-N149 PolarHBondContact OD1-ND2 3.41Å
150N92.3Very high93.5Very high70 Ų7063.6 Ų63.637%0.37430%0.301SS..  trans-120101.4-171.9-69.5-45.2000111.6T146 R152 D153 R154T146-N150 HydrophobicContact CG2-CB 4.47Å; T146-N150 PolarHBondContact O-N 3.44Å; N150-R152 VanDerWaalsContact C-N 3.32Å; N150-R152 PolarHBondContact O-N 3.45Å; N150-D153 HydrophobicContact CB-CB 3.76Å; N150-D153 PolarHBondContact O-N 3.23Å; N150-R154 WeakPolarHBondContact O-CB 3.34Å; N150-R154 PolarHBondContact O-N 3.44Å
151P90.3Very high93.6Very high73 Ų7361.4 Ų61.447%0.47429%0.291SS..Hα-helixtrans-67.8-30.5-177.425.6-33.9000113.1R154 M155P151-R154 WeakPolarHBondContact O-CB 3.4Å; P151-M155 PolarHBondContact O-N 3.03Å
152R91.8Very high93.8Very high224 Ų22460 Ų6085%0.84528%0.284SS*.Hα-helixtrans-66-45.8174.1-68.2-173.1-179.6-179.41.5111.3N150 R154 M155 M156N150-R152 VanDerWaalsContact C-N 3.32Å; N150-R152 PolarHBondContact O-N 3.45Å; R152-R154 VanDerWaalsContact C-N 3.33Å; R152-M155 PolarHBondContact O-N 3.4Å; R152-M156 PolarHBondContact O-N 2.96Å
153D94.3Very high93.8Very high20 Ų2060.6 Ų60.611%0.10729%0.287CS..Hα-helixtrans-72.2-32.3-179.2-62.7-11.1000111.2T146 N150 M155 M156 L157 Y184T146-D153 HydrophobicContact CG2-CB 3.57Å; N150-D153 HydrophobicContact CB-CB 3.76Å; N150-D153 PolarHBondContact O-N 3.23Å; D153-M155 VanDerWaalsContact C-N 3.33Å; D153-M155 PolarHBondContact O-N 2.92Å; D153-M156 CarbonylContact O-C 3.56Å; D153-M156 WeakPolarHBondContact O-CB 3.4Å; D153-M156 PolarHBondContact O-N 2.9Å; D153-M156 VanDerWaalsContact O-N 3.1Å; D153-L157 WeakPolarHBondContact O-CB 3.3Å; D153-L157 WeakPolarHBondContact O-CG 3.45Å; D153-L157 PolarHBondContact O-N 2.78Å; D153-Y184 WeakPolarHBondContact OD1-CE1 3.4Å; D153-Y184 PolarHBondContact OD2-OH 3.43Å
154R94.4Very high93.9Very high60 Ų6060.5 Ų60.523%0.22629%0.287CS..Hα-helixtrans-52.8-50.2171.4178.6-171.7-68.9176.43.1111.7L147 K148 N150 P151 R152 M156 L157 L158 I228L147-R154 HydrophobicContact CD2-CG 4.24Å; L147-R154 VanDerWaalsContact O-CZ 3.27Å; L147-R154 PolarHBondContact O-NE 2.94Å; L147-R154 PolarHBondContact O-NH2 3.44Å; K148-R154 PolarHBondContact O-NH2 2.91Å; N150-R154 WeakPolarHBondContact O-CB 3.34Å; N150-R154 PolarHBondContact O-N 3.44Å; P151-R154 WeakPolarHBondContact O-CB 3.4Å; R152-R154 VanDerWaalsContact C-N 3.33Å; R154-M156 VanDerWaalsContact C-N 3.29Å; R154-M156 PolarHBondContact O-N 3.16Å; R154-L157 PolarHBondContact O-N 3.44Å; R154-L158 HydrophobicContact CG-CD1 4.35Å; R154-L158 WeakPolarHBondContact O-CG 3.29Å; R154-L158 PolarHBondContact O-N 3.2Å; R154-I228 HydrophobicContact CG-CD1 3.43Å; R154-I228 VanDerWaalsContact CG-CD1 3.43Å; R154-I228 HydrophobicContact CG-CG1 3.88Å
155M94.1Very high94Very high137 Ų13761 Ų6168%0.67529%0.289SS*.Hα-helixtrans-59.8-42.7176.8-174.862.667.800111.5P151 R152 D153 K159P151-M155 PolarHBondContact O-N 3.03Å; R152-M155 PolarHBondContact O-N 3.4Å; D153-M155 VanDerWaalsContact C-N 3.33Å; D153-M155 PolarHBondContact O-N 2.92Å; M155-K159 WeakPolarHBondContact O-CB 3.43Å; M155-K159 PolarHBondContact O-N 2.85Å; M155-K159 VanDerWaalsContact O-N 3.15Å
156M95.6Very high94.1Very high31 Ų3161.1 Ų61.115%0.15329%0.29CS..Hα-helixtrans-66.1-44179.2-171.266.1-166.800112.1R152 D153 R154 K159 L160 M181 H185 L188R152-M156 PolarHBondContact O-N 2.96Å; D153-M156 CarbonylContact O-C 3.56Å; D153-M156 WeakPolarHBondContact O-CB 3.4Å; D153-M156 PolarHBondContact O-N 2.9Å; D153-M156 VanDerWaalsContact O-N 3.1Å; R154-M156 VanDerWaalsContact C-N 3.29Å; R154-M156 PolarHBondContact O-N 3.16Å; M156-K159 WeakPolarHBondContact O-CB 3.31Å; M156-K159 PolarHBondContact O-N 3.33Å; M156-L160 HydrophobicContact CE-CD1 4.05Å; M156-L160 HydrophobicContact CE-CD2 3.85Å; M156-L160 HydrophobicContact CE-CG 3.92Å; M156-L160 HydrophobicContact CG-CD1 4.35Å; M156-L160 WeakPolarHBondContact O-CG 3.42Å; M156-L160 PolarHBondContact O-N 3.47Å; M156-M181 HydrophobicContact CE-SD 3.9Å; M156-H185 HydrophobicContact CE-CB 4.11Å; M156-L188 HydrophobicContact CG-CD1 4.25Å
157L96Very high94.1Very high0 Ų061.3 Ų61.30%029%0.29CS..Hα-helixtrans-64.2-44.1179.9-75.8175000111.9L143 T146 L147 D153 R154 K159 L160 E161 L188 V192 F224L143-L157 HydrophobicContact CD2-CD1 4.32Å; L143-L157 HydrophobicContact CD2-CD2 3.79Å; T146-L157 HydrophobicContact CG2-CD1 3.8Å; L147-L157 HydrophobicContact CD2-CB 3.95Å; L147-L157 HydrophobicContact CD2-CD1 3.83Å; L147-L157 HydrophobicContact CG-CD1 3.83Å; D153-L157 WeakPolarHBondContact O-CB 3.3Å; D153-L157 WeakPolarHBondContact O-CG 3.45Å; D153-L157 PolarHBondContact O-N 2.78Å; R154-L157 PolarHBondContact O-N 3.44Å; L157-K159 VanDerWaalsContact C-N 3.28Å; L157-K159 PolarHBondContact O-N 2.99Å; L157-L160 PolarHBondContact O-N 3.37Å; L157-E161 WeakPolarHBondContact O-CB 3.42Å; L157-E161 PolarHBondContact O-N 2.9Å; L157-L188 HydrophobicContact CD2-CB 4.5Å; L157-L188 HydrophobicContact CD2-CD2 4.37Å; L157-V192 HydrophobicContact CD2-CG2 3.48Å; L157-V192 VanDerWaalsContact CD2-CG2 3.48Å; L157-F224 HydrophobicContact CB-CD2 4.02Å; L157-F224 HydrophobicContact CB-CE2 4.24Å; L157-F224 HydrophobicContact CD2-CE2 4.43Å
158L94.8Very high94.1Very high47 Ų4762.4 Ų62.425%0.24630%0.296CS..Hα-helixtrans-59.2-41.5174.2-71.8172.3000111.5R154 E161 Q162 F224 N225 I228R154-L158 HydrophobicContact CG-CD1 4.35Å; R154-L158 WeakPolarHBondContact O-CG 3.29Å; R154-L158 PolarHBondContact O-N 3.2Å; L158-E161 PolarHBondContact O-N 3.24Å; L158-Q162 PolarHBondContact O-N 3.06Å; L158-Q162 VanDerWaalsContact O-N 3.12Å; L158-F224 HydrophobicContact CD2-CB 4.01Å; L158-N225 HydrophobicContact CD2-CB 4.06Å; L158-I228 HydrophobicContact CD1-CD1 3.61Å; L158-I228 HydrophobicContact CD2-CD1 3.91Å; L158-I228 HydrophobicContact CG-CD1 4Å
159K95.8Very high94.2Very high124 Ų12460.1 Ų60.154%0.53930%0.303SS..Hα-helixtrans-63.9-44.8176.3-174.7179.1177.8-175.50111.8M155 M156 L157 Q162 E163M155-K159 WeakPolarHBondContact O-CB 3.43Å; M155-K159 PolarHBondContact O-N 2.85Å; M155-K159 VanDerWaalsContact O-N 3.15Å; M156-K159 WeakPolarHBondContact O-CB 3.31Å; M156-K159 PolarHBondContact O-N 3.33Å; L157-K159 VanDerWaalsContact C-N 3.28Å; L157-K159 PolarHBondContact O-N 2.99Å; K159-Q162 PolarHBondContact O-N 2.87Å; K159-E163 WeakPolarHBondContact CE-OE1 3.45Å; K159-E163 IonicContact NZ-OE1 3.72Å; K159-E163 PolarHBondContact O-N 2.83Å
160L96.6Very high94.1Very high2 Ų258.5 Ų58.51%0.0129%0.294CS..Hα-helixtrans-65.9-39.5178.7-70.3179.6000112.3M156 L157 E163 I164 F178 L188 L189M156-L160 HydrophobicContact CE-CD1 4.05Å; M156-L160 HydrophobicContact CE-CD2 3.85Å; M156-L160 HydrophobicContact CE-CG 3.92Å; M156-L160 HydrophobicContact CG-CD1 4.35Å; M156-L160 WeakPolarHBondContact O-CG 3.42Å; M156-L160 PolarHBondContact O-N 3.47Å; L157-L160 PolarHBondContact O-N 3.37Å; L160-E163 PolarHBondContact O-N 3.38Å; L160-I164 WeakPolarHBondContact O-CB 3.5Å; L160-I164 WeakPolarHBondContact O-CG1 3.29Å; L160-I164 PolarHBondContact O-N 2.8Å; L160-F178 HydrophobicContact CD2-CE1 4.39Å; L160-L188 HydrophobicContact CD1-CB 4.21Å; L160-L189 HydrophobicContact CD1-CB 4.08Å; L160-L189 HydrophobicContact CD2-CD1 4.11Å
161E95.3Very high93.8Very high15 Ų1561.8 Ų61.87%0.0731%0.312CS..Hα-helixtrans-56-51173.5179.6-180-146.600110.6L157 L158 I164 L165 F196 K223 F224L157-E161 WeakPolarHBondContact O-CB 3.42Å; L157-E161 PolarHBondContact O-N 2.9Å; L158-E161 PolarHBondContact O-N 3.24Å; E161-I164 PolarHBondContact O-N 2.92Å; E161-L165 HydrophobicContact CG-CD1 3.87Å; E161-L165 HydrophobicContact CG-CG 4.44Å; E161-L165 WeakPolarHBondContact O-CB 3.21Å; E161-L165 VanDerWaalsContact O-CG 3.27Å; E161-L165 WeakPolarHBondContact O-CG 3.43Å; E161-L165 PolarHBondContact O-N 2.69Å; E161-F196 HydrophobicContact CG-CZ 4.11Å; E161-K223 WeakPolarHBondContact OE1-CA 3.3Å; E161-K223 WeakPolarHBondContact OE1-CD 3.28Å; E161-F224 HydrophobicContact CB-CD2 3.63Å; E161-F224 HydrophobicContact CB-CE2 3.82Å; E161-F224 HydrophobicContact CB-CG 4.41Å; E161-F224 HydrophobicContact CG-CD2 4.15Å; E161-F224 HydrophobicContact CG-CE2 4.42Å; E161-F224 HydrophobicContact CG-CG 4.48Å; E161-F224 PolarHBondContact OE1-N 2.89Å; E161-F224 VanDerWaalsContact OE2-CB 3.3Å; E161-F224 WeakPolarHBondContact OE2-CB 3.48Å; E161-F224 PolarHBondContact OE2-N 3.49Å
162Q95.9Very high93.6Very high104 Ų10466.3 Ų66.349%0.48633%0.327SS..Hα-helixtrans-61.9-47.6178.3-170.963.553.500111.7L158 K159 I164 L165 D166L158-Q162 PolarHBondContact O-N 3.06Å; L158-Q162 VanDerWaalsContact O-N 3.12Å; K159-Q162 PolarHBondContact O-N 2.87Å; Q162-I164 PolarHBondContact O-N 3.47Å; Q162-L165 PolarHBondContact O-N 3Å; Q162-D166 PolarHBondContact NE2-OD1 3.11Å; Q162-D166 WeakPolarHBondContact O-CB 3.32Å; Q162-D166 PolarHBondContact O-N 3Å
163E95.8Very high93.4Very high47 Ų4757.8 Ų57.822%0.2230%0.302CS..Hα-helixtrans-62.5-29.6-179.3-78-166-151.400113.5K159 L160 F167 K176 F178K159-E163 WeakPolarHBondContact CE-OE1 3.45Å; K159-E163 IonicContact NZ-OE1 3.72Å; K159-E163 PolarHBondContact O-N 2.83Å; L160-E163 PolarHBondContact O-N 3.38Å; E163-F167 WeakPolarHBondContact O-CB 3.32Å; E163-F167 PolarHBondContact O-N 3.37Å; E163-K176 PolarHBondContact O-NZ 3.36Å; E163-K176 VanDerWaalsContact O-NZ 3.11Å; E163-F178 HydrophobicContact CB-CE1 4.1Å; E163-F178 WeakPolarHBondContact OE2-CD1 3.32Å; E163-F178 WeakPolarHBondContact OE2-CE1 3.49Å
164I95.5Very high93.3Very high0 Ų061.6 Ų61.60%033%0.327CS..Hα-helixtrans-77.6-45.1174.4-77.9169.4000111L160 E161 Q162 D166 F167 I168 F178 L189 V192 F196 L198L160-I164 WeakPolarHBondContact O-CB 3.5Å; L160-I164 WeakPolarHBondContact O-CG1 3.29Å; L160-I164 PolarHBondContact O-N 2.8Å; E161-I164 PolarHBondContact O-N 2.92Å; Q162-I164 PolarHBondContact O-N 3.47Å; I164-D166 VanDerWaalsContact C-N 3.32Å; I164-D166 PolarHBondContact O-N 3.38Å; I164-F167 CarbonylContact O-C 3.59Å; I164-F167 WeakPolarHBondContact O-CB 3.3Å; I164-F167 PolarHBondContact O-N 3.22Å; I164-F167 VanDerWaalsContact O-N 3.12Å; I164-I168 HydrophobicContact CG2-CD1 3.71Å; I164-I168 HydrophobicContact CG2-CG1 4.29Å; I164-I168 VanDerWaalsContact O-CG1 3.31Å; I164-I168 WeakPolarHBondContact O-CG1 3.32Å; I164-I168 PolarHBondContact O-N 3.5Å; I164-F178 HydrophobicContact CG1-CZ 4.37Å; I164-L189 HydrophobicContact CD1-CD1 3.92Å; I164-V192 HydrophobicContact CD1-CB 4.18Å; I164-V192 HydrophobicContact CD1-CG1 3.49Å; I164-V192 VanDerWaalsContact CD1-CG1 3.49Å; I164-F196 HydrophobicContact CD1-CD2 4.5Å; I164-F196 HydrophobicContact CG2-CB 4.12Å; I164-F196 HydrophobicContact CG2-CD1 3.86Å; I164-F196 HydrophobicContact CG2-CD2 3.93Å; I164-F196 HydrophobicContact CG2-CE1 4.25Å; I164-F196 HydrophobicContact CG2-CE2 4.34Å; I164-F196 HydrophobicContact CG2-CG 3.7Å; I164-F196 HydrophobicContact CG2-CZ 4.49Å; I164-L198 HydrophobicContact CG1-CD1 4.38Å; I164-L198 HydrophobicContact CG2-CD1 3.6Å
165L94.6Very high93.2Very high29 Ų2964.5 Ų64.515%0.15234%0.338CS..Hα-helixtrans-59.9-44.2176.5-73.2171000111.3E161 Q162 F167 I168 G169 F196 I219E161-L165 HydrophobicContact CG-CD1 3.87Å; E161-L165 HydrophobicContact CG-CG 4.44Å; E161-L165 WeakPolarHBondContact O-CB 3.21Å; E161-L165 VanDerWaalsContact O-CG 3.27Å; E161-L165 WeakPolarHBondContact O-CG 3.43Å; E161-L165 PolarHBondContact O-N 2.69Å; Q162-L165 PolarHBondContact O-N 3Å; L165-F167 VanDerWaalsContact C-N 3.28Å; L165-F167 PolarHBondContact O-N 3Å; L165-I168 PolarHBondContact O-N 2.71Å; L165-G169 PolarHBondContact O-N 3.06Å; L165-F196 HydrophobicContact CD2-CE1 3.84Å; L165-F196 HydrophobicContact CD2-CZ 4.49Å; L165-F196 HydrophobicContact CG-CE1 4.31Å; L165-I219 HydrophobicContact CD2-CG1 4.42Å; L165-I219 HydrophobicContact CD2-CG2 3.96Å
166D94.7Very high93.3Very high89 Ų8960.7 Ų60.748%0.47632%0.318SS..Hα-helixtrans-60.8-40.4174.9-68.8-12.5000111.1Q162 I164 N170Q162-D166 PolarHBondContact NE2-OD1 3.11Å; Q162-D166 WeakPolarHBondContact O-CB 3.32Å; Q162-D166 PolarHBondContact O-N 3Å; I164-D166 VanDerWaalsContact C-N 3.32Å; I164-D166 PolarHBondContact O-N 3.38Å; D166-N170 VanDerWaalsContact O-CB 3.28Å; D166-N170 WeakPolarHBondContact O-CB 3.17Å; D166-N170 PolarHBondContact O-N 3.29Å
167F94.7Very high93.3Very high6 Ų664.5 Ų64.53%0.02633%0.334CS..Hα-helixtrans-66.4-43.3176.5171.5-118.1000112.2E163 I164 L165 N170 S173 K176 L198 V211 K213E163-F167 WeakPolarHBondContact O-CB 3.32Å; E163-F167 PolarHBondContact O-N 3.37Å; I164-F167 CarbonylContact O-C 3.59Å; I164-F167 WeakPolarHBondContact O-CB 3.3Å; I164-F167 PolarHBondContact O-N 3.22Å; I164-F167 VanDerWaalsContact O-N 3.12Å; L165-F167 VanDerWaalsContact C-N 3.28Å; L165-F167 PolarHBondContact O-N 3Å; F167-N170 PolarHBondContact O-N 3.18Å; F167-S173 WeakPolarHBondContact CE2-O 3.43Å; F167-K176 HydrophobicContact CB-CD 3.82Å; F167-K176 HydrophobicContact CD1-CB 4.47Å; F167-K176 HydrophobicContact CD2-CB 3.53Å; F167-K176 HydrophobicContact CD2-CD 3.87Å; F167-K176 HydrophobicContact CD2-CG 4.33Å; F167-K176 HydrophobicContact CE1-CB 4.44Å; F167-K176 HydrophobicContact CE2-CB 3.5Å; F167-K176 HydrophobicContact CG-CB 4.02Å; F167-K176 HydrophobicContact CG-CD 3.92Å; F167-K176 HydrophobicContact CZ-CB 3.97Å; F167-L198 HydrophobicContact CE1-CD2 4.41Å; F167-V211 HydrophobicContact CE1-CG1 4.36Å; F167-K213 HydrophobicContact CD1-CG 4.44Å; F167-K213 HydrophobicContact CE1-CG 3.58Å; F167-K213 HydrophobicContact CE2-CG 4.41Å; F167-K213 HydrophobicContact CZ-CD 4.35Å; F167-K213 HydrophobicContact CZ-CG 3.58Å; F167-K213 WeakPolarHBondContact O-CE 3.39Å; F167-K213 PolarHBondContact O-NZ 3.31Å
168I93.6Very high93.3Very high25 Ų2564.7 Ų64.713%0.12834%0.335CS..Hα-helixtrans-64-44.6177.7-66.5168.8000109.9I164 L165 F196 L198 K213 T217 I219I164-I168 HydrophobicContact CG2-CD1 3.71Å; I164-I168 HydrophobicContact CG2-CG1 4.29Å; I164-I168 VanDerWaalsContact O-CG1 3.31Å; I164-I168 WeakPolarHBondContact O-CG1 3.32Å; I164-I168 PolarHBondContact O-N 3.5Å; L165-I168 PolarHBondContact O-N 2.71Å; I168-F196 HydrophobicContact CD1-CB 4.46Å; I168-F196 HydrophobicContact CD1-CD1 3.83Å; I168-F196 HydrophobicContact CD1-CG 4.48Å; I168-L198 HydrophobicContact CD1-CD1 4.29Å; I168-L198 HydrophobicContact CG1-CD1 4.41Å; I168-L198 HydrophobicContact CG1-CD2 4.43Å; I168-K213 PolarHBondContact O-NZ 3.3Å; I168-T217 HydrophobicContact CD1-CG2 3.76Å; I168-T217 HydrophobicContact CG1-CG2 3.82Å; I168-T217 HydrophobicContact CG2-CG2 4.22Å; I168-I219 HydrophobicContact CD1-CG1 4.5Å; I168-I219 HydrophobicContact CG2-CD1 4.2Å; I168-I219 HydrophobicContact CG2-CG1 4.29Å
169G91.1Very high93.3Very high61 Ų6166.8 Ų66.863%0.62935%0.351SS*.Hα-helixtrans-68.3-32.5179.200000114.4L165L165-G169 PolarHBondContact O-N 3.06Å
170N89.9Confident93.3Very high64 Ų6465.6 Ų65.634%0.34236%0.356SS..  trans-83.8115176-173.78.3000111.5D166 F167 E172 K213D166-N170 VanDerWaalsContact O-CB 3.28Å; D166-N170 WeakPolarHBondContact O-CB 3.17Å; D166-N170 PolarHBondContact O-N 3.29Å; F167-N170 PolarHBondContact O-N 3.18Å; N170-E172 PolarHBondContact ND2-OE2 3.31Å; N170-E172 WeakPolarHBondContact OD1-CB 3.38Å; N170-E172 WeakPolarHBondContact OD1-CG 3.42Å; N170-E172 PolarHBondContact OD1-N 2.85Å; N170-E172 VanDerWaalsContact OD1-N 3.09Å; N170-K213 PolarHBondContact O-NZ 3.34Å
171N85.9Confident93.3Very high139 Ų13967.2 Ų67.274%0.74336%0.364SS*.THydrogen-bonded Turntrans-87.74.5179.7-73.6-46.6000114.9S173 K213N171-S173 VanDerWaalsContact C-N 3.28Å; N171-S173 PolarHBondContact O-N 3.33Å; N171-K213 PolarHBondContact OD1-NZ 2.99Å
172E84.8Confident93.3Very high168 Ų16870.2 Ų70.279%0.78538%0.383SS*.THydrogen-bonded Turntrans-64.2-30.1-178.8-73.2171.5168.500113.9N170N170-E172 PolarHBondContact ND2-OE2 3.31Å; N170-E172 WeakPolarHBondContact OD1-CB 3.38Å; N170-E172 WeakPolarHBondContact OD1-CG 3.42Å; N170-E172 PolarHBondContact OD1-N 2.85Å; N170-E172 VanDerWaalsContact OD1-N 3.09Å
173S88.5Confident93.3Very high46 Ų4669.8 Ų69.832%0.32239%0.391SS..  trans-139.5133.9-177.957.70000112.8F167 N171 R175F167-S173 WeakPolarHBondContact CE2-O 3.43Å; N171-S173 VanDerWaalsContact C-N 3.28Å; N171-S173 PolarHBondContact O-N 3.33Å; S173-R175 PolarHBondContact O-N 3.4Å
174P91.1Very high93.4Very high99 Ų9971.7 Ų71.764%0.64340%0.397SS*.SBendtrans-77.2-11.3176.631.4-35.6000113N212 K213P174-N212 WeakPolarHBondContact O-CA 3.48Å; P174-K213 PolarHBondContact O-N 3.16Å
175R93.6Very high93.4Very high121 Ų12174.5 Ų74.546%0.45741%0.41SS..EExtended strand (participates in β ladder)trans-136.7137-174.8160.4171.7-75-135.6-4.8110.1S173 I210 V211 N212S173-R175 PolarHBondContact O-N 3.4Å; R175-I210 VanDerWaalsContact CD-CG2 3.45Å; R175-I210 HydrophobicContact CG-CG2 3.48Å; R175-I210 VanDerWaalsContact CG-CG2 3.48Å; R175-V211 CarbonylContact C-O 3.58Å; R175-V211 WeakPolarHBondContact CA-O 3.47Å; R175-N212 WeakPolarHBondContact CB-OD1 3.48Å; R175-N212 PolarHBondContact NE-OD1 3.2Å; R175-N212 PolarHBondContact NH2-ND2 3.17Å; R175-N212 PolarHBondContact NH2-OD1 2.99Å
176K95Very high93.5Very high57 Ų5775.3 Ų75.325%0.24841%0.411CS..EExtended strand (participates in β ladder)trans-124.4125.7171.8-179.8170.4179.21700110.7E163 F167 F178 I210 V211E163-K176 PolarHBondContact O-NZ 3.36Å; E163-K176 VanDerWaalsContact O-NZ 3.11Å; F167-K176 HydrophobicContact CB-CD 3.82Å; F167-K176 HydrophobicContact CD1-CB 4.47Å; F167-K176 HydrophobicContact CD2-CB 3.53Å; F167-K176 HydrophobicContact CD2-CD 3.87Å; F167-K176 HydrophobicContact CD2-CG 4.33Å; F167-K176 HydrophobicContact CE1-CB 4.44Å; F167-K176 HydrophobicContact CE2-CB 3.5Å; F167-K176 HydrophobicContact CG-CB 4.02Å; F167-K176 HydrophobicContact CG-CD 3.92Å; F167-K176 HydrophobicContact CZ-CB 3.97Å; K176-F178 HydrophobicContact CD-CE2 4.42Å; K176-F178 HydrophobicContact CD-CZ 4.34Å; K176-F178 HydrophobicContact CG-CE2 4.29Å; K176-I210 WeakPolarHBondContact O-CA 3.43Å; K176-V211 PolarHBondContact N-O 3.23Å; K176-V211 PolarHBondContact O-N 2.85Å
177K95.6Very high93.5Very high112 Ų11273.8 Ų73.849%0.48740%0.402SS..EExtended strand (participates in β ladder)trans-94.6120.8172-179.3167.6-179.11680108.9D203 I210K177-D203 IonicContact NZ-OD1 2.88Å; K177-D203 PolarHBondContact NZ-OD1 3.41Å; K177-D203 IonicContact NZ-OD2 3.72Å; K177-D203 PolarHBondContact NZ-OD2 3.36Å; K177-I210 HydrophobicContact CB-CG1 4.15Å; K177-I210 HydrophobicContact CD-CG1 4.26Å; K177-I210 HydrophobicContact CG-CG1 3.92Å
178F95.9Very high93.6Very high4 Ų473.5 Ų73.52%0.01840%0.401CS..PPolyproline II helixtrans-78.7150.8175.5-73.4-99.9000110.9L160 E163 I164 K176 M181 L189 S208 V209 V211L160-F178 HydrophobicContact CD2-CE1 4.39Å; E163-F178 HydrophobicContact CB-CE1 4.1Å; E163-F178 WeakPolarHBondContact OE2-CD1 3.32Å; E163-F178 WeakPolarHBondContact OE2-CE1 3.49Å; I164-F178 HydrophobicContact CG1-CZ 4.37Å; K176-F178 HydrophobicContact CD-CE2 4.42Å; K176-F178 HydrophobicContact CD-CZ 4.34Å; K176-F178 HydrophobicContact CG-CE2 4.29Å; F178-M181 HydrophobicContact CB-CE 3.65Å; F178-M181 HydrophobicContact CD1-CE 4.33Å; F178-M181 HydrophobicContact CG-CE 4.17Å; F178-L189 HydrophobicContact CB-CD2 4.12Å; F178-L189 HydrophobicContact CD1-CD2 4.02Å; F178-L189 HydrophobicContact CD2-CD2 3.54Å; F178-L189 HydrophobicContact CE1-CD1 4.26Å; F178-L189 HydrophobicContact CE1-CD2 4.3Å; F178-L189 HydrophobicContact CE2-CD1 4.1Å; F178-L189 HydrophobicContact CE2-CD2 3.89Å; F178-L189 HydrophobicContact CG-CD2 3.61Å; F178-L189 HydrophobicContact CZ-CD1 3.92Å; F178-L189 HydrophobicContact CZ-CD2 4.25Å; F178-S208 VanDerWaalsContact O-CB 3.3Å; F178-S208 WeakPolarHBondContact O-CB 3.33Å; F178-S208 PolarHBondContact O-OG 3.15Å; F178-V209 PolarHBondContact N-O 3.49Å; F178-V211 HydrophobicContact CD2-CG2 4Å; F178-V211 HydrophobicContact CE2-CB 4.04Å; F178-V211 HydrophobicContact CE2-CG2 3.54Å
179P96.3Very high93.7Very high90 Ų9072.3 Ų72.358%0.58440%0.395SS*.PPolyproline II helixtrans-54.9159.8172.1-24.234.1000112.2M181P179-M181 PolarHBondContact O-N 2.88Å
180P95.9Very high94Very high99 Ų9971.1 Ų71.164%0.64337%0.373SS*.PPolyproline II helixtrans-53.3128.6174.6-27.235.9000111.5K207P180-K207 VanDerWaalsContact CA-O 3.28Å; P180-K207 WeakPolarHBondContact CA-O 3.39Å; P180-K207 HydrophobicContact CB-CB 4.42Å
181M95Very high94.3Very high37 Ų3769.9 Ų69.918%0.18236%0.363CS..  trans-127.8156.8-176.1-83.7-170.7-69.300110.8M156 F178 P179 H185 R186 L189 K207M156-M181 HydrophobicContact CE-SD 3.9Å; F178-M181 HydrophobicContact CB-CE 3.65Å; F178-M181 HydrophobicContact CD1-CE 4.33Å; F178-M181 HydrophobicContact CG-CE 4.17Å; P179-M181 PolarHBondContact O-N 2.88Å; M181-H185 HydrophobicContact CB-CB 3.99Å; M181-H185 HydrophobicContact CG-CB 4.23Å; M181-H185 HydrophobicContact SD-CB 3.95Å; M181-R186 HydrophobicContact CB-CG 3.81Å; M181-L189 HydrophobicContact CE-CB 4.35Å; M181-L189 HydrophobicContact CE-CD2 3.43Å; M181-L189 VanDerWaalsContact CE-CD2 3.43Å; M181-K207 PolarHBondContact N-O 3.39Å; M181-K207 VanDerWaalsContact N-O 3.16Å
182T96.4Very high94.7Very high77 Ų7763.2 Ų63.247%0.47233%0.328SS..  trans-62.7156.3172.866.30000110.2Y184 H185 R186T182-Y184 PolarHBondContact O-N 3.34Å; T182-H185 PolarHBondContact O-N 3.06Å; T182-H185 VanDerWaalsContact O-N 3.16Å; T182-H185 WeakPolarHBondContact OG1-CB 3.37Å; T182-H185 VanDerWaalsContact OG1-CG 3.23Å; T182-H185 PolarHBondContact OG1-N 3.06Å; T182-H185 PolarHBondContact OG1-ND1 3.31Å; T182-R186 VanDerWaalsContact O-CG 3.25Å; T182-R186 WeakPolarHBondContact O-CG 3.21Å; T182-R186 PolarHBondContact O-N 2.94Å
183S96.1Very high95.3Very high95 Ų9555.2 Ų55.266%0.66429%0.29SS*.Hα-helixtrans-51.8-39.9176.950.90000112.5M187S183-M187 PolarHBondContact O-N 2.96Å
184Y96.5Very high95.5Very high87 Ų8754.1 Ų54.134%0.34128%0.284SS..Hα-helixtrans-68.4-46.6177.4-175.5-114000113.4D153 T182 R186 M187 L188D153-Y184 WeakPolarHBondContact OD1-CE1 3.4Å; D153-Y184 PolarHBondContact OD2-OH 3.43Å; T182-Y184 PolarHBondContact O-N 3.34Å; Y184-R186 VanDerWaalsContact C-N 3.25Å; Y184-R186 PolarHBondContact O-N 2.99Å; Y184-M187 HydrophobicContact CD2-CE 3.75Å; Y184-M187 HydrophobicContact CD2-SD 4.23Å; Y184-M187 HydrophobicContact CE2-CE 3.37Å; Y184-M187 HydrophobicContact CE2-SD 4.2Å; Y184-M187 WeakPolarHBondContact O-CA 3.27Å; Y184-M187 VanDerWaalsContact O-CB 3.32Å; Y184-M187 WeakPolarHBondContact O-CB 3.44Å; Y184-M187 PolarHBondContact O-N 2.86Å; Y184-L188 HydrophobicContact CD1-CD1 4.31Å; Y184-L188 HydrophobicContact CE1-CD1 3.8Å; Y184-L188 HydrophobicContact CE1-CG 4.25Å; Y184-L188 PolarHBondContact O-N 3.45Å
185H96.3Very high95.7Very high59 Ų5950.1 Ų50.127%0.27326%0.256SS..Hα-helixtrans-63.1-35.5176.6-69.2164.4000112M156 M181 T182 M187 L188 L189M156-H185 HydrophobicContact CE-CB 4.11Å; M181-H185 HydrophobicContact CB-CB 3.99Å; M181-H185 HydrophobicContact CG-CB 4.23Å; M181-H185 HydrophobicContact SD-CB 3.95Å; T182-H185 PolarHBondContact O-N 3.06Å; T182-H185 VanDerWaalsContact O-N 3.16Å; T182-H185 WeakPolarHBondContact OG1-CB 3.37Å; T182-H185 VanDerWaalsContact OG1-CG 3.23Å; T182-H185 PolarHBondContact OG1-N 3.06Å; T182-H185 PolarHBondContact OG1-ND1 3.31Å; H185-M187 VanDerWaalsContact C-N 3.34Å; H185-L188 PolarHBondContact O-N 2.87Å; H185-L189 PolarHBondContact O-N 3.19Å
186R96.1Very high95.7Very high46 Ų4644.4 Ų44.417%0.17424%0.235CC..Hα-helixtrans-61.9-42.7172-66.3172.755.7-90.9-1111.3M181 T182 Y184 L189 H190 G206 V209M181-R186 HydrophobicContact CB-CG 3.81Å; T182-R186 VanDerWaalsContact O-CG 3.25Å; T182-R186 WeakPolarHBondContact O-CG 3.21Å; T182-R186 PolarHBondContact O-N 2.94Å; Y184-R186 VanDerWaalsContact C-N 3.25Å; Y184-R186 PolarHBondContact O-N 2.99Å; R186-L189 PolarHBondContact O-N 3.32Å; R186-H190 PolarHBondContact O-CD2 3.41Å; R186-H190 PolarHBondContact O-N 3.23Å; R186-G206 PolarHBondContact NE-O 3.37Å; R186-V209 HydrophobicContact CB-CG2 3.77Å; R186-V209 HydrophobicContact CG-CG2 3.66Å
187M95.6Very high95.6Very high58 Ų5842.8 Ų42.829%0.28623%0.234SC..Hα-helixtrans-59.7-45.1174.9-179.8-141.868.900111.7F142 S183 Y184 H185 H190 R191F142-M187 HydrophobicContact CZ-CE 4.1Å; S183-M187 PolarHBondContact O-N 2.96Å; Y184-M187 HydrophobicContact CD2-CE 3.75Å; Y184-M187 HydrophobicContact CD2-SD 4.23Å; Y184-M187 HydrophobicContact CE2-CE 3.37Å; Y184-M187 HydrophobicContact CE2-SD 4.2Å; Y184-M187 WeakPolarHBondContact O-CA 3.27Å; Y184-M187 VanDerWaalsContact O-CB 3.32Å; Y184-M187 WeakPolarHBondContact O-CB 3.44Å; Y184-M187 PolarHBondContact O-N 2.86Å; H185-M187 VanDerWaalsContact C-N 3.34Å; M187-H190 PolarHBondContact O-N 2.88Å; M187-R191 PolarHBondContact O-N 2.97Å; M187-R191 VanDerWaalsContact O-N 3.16Å
188L96.5Very high95.5Very high0 Ų037.7 Ų37.70%021%0.212CC..Hα-helixtrans-60.3-48.2175.2-68.3178.1000111.2F142 M156 L157 L160 Y184 H185 H190 R191 V192F142-L188 HydrophobicContact CE1-CD2 3.95Å; F142-L188 HydrophobicContact CZ-CD2 3.79Å; M156-L188 HydrophobicContact CG-CD1 4.25Å; L157-L188 HydrophobicContact CD2-CB 4.5Å; L157-L188 HydrophobicContact CD2-CD2 4.37Å; L160-L188 HydrophobicContact CD1-CB 4.21Å; Y184-L188 HydrophobicContact CD1-CD1 4.31Å; Y184-L188 HydrophobicContact CE1-CD1 3.8Å; Y184-L188 HydrophobicContact CE1-CG 4.25Å; Y184-L188 PolarHBondContact O-N 3.45Å; H185-L188 PolarHBondContact O-N 2.87Å; L188-H190 VanDerWaalsContact C-N 3.33Å; L188-H190 PolarHBondContact O-N 3.26Å; L188-R191 PolarHBondContact O-N 2.82Å; L188-V192 VanDerWaalsContact O-CG2 3.32Å; L188-V192 WeakPolarHBondContact O-CG2 3.42Å; L188-V192 PolarHBondContact O-N 3.49Å
189L96.7Very high95.5Very high0 Ų040.8 Ų40.80%023%0.229CC..Hα-helixtrans-60.5-40.8178.3175.261.3000112.3L160 I164 F178 M181 H185 R186 R191 V192 A193 V209 V211L160-L189 HydrophobicContact CD1-CB 4.08Å; L160-L189 HydrophobicContact CD2-CD1 4.11Å; I164-L189 HydrophobicContact CD1-CD1 3.92Å; F178-L189 HydrophobicContact CB-CD2 4.12Å; F178-L189 HydrophobicContact CD1-CD2 4.02Å; F178-L189 HydrophobicContact CD2-CD2 3.54Å; F178-L189 HydrophobicContact CE1-CD1 4.26Å; F178-L189 HydrophobicContact CE1-CD2 4.3Å; F178-L189 HydrophobicContact CE2-CD1 4.1Å; F178-L189 HydrophobicContact CE2-CD2 3.89Å; F178-L189 HydrophobicContact CG-CD2 3.61Å; F178-L189 HydrophobicContact CZ-CD1 3.92Å; F178-L189 HydrophobicContact CZ-CD2 4.25Å; M181-L189 HydrophobicContact CE-CB 4.35Å; M181-L189 HydrophobicContact CE-CD2 3.43Å; M181-L189 VanDerWaalsContact CE-CD2 3.43Å; H185-L189 PolarHBondContact O-N 3.19Å; R186-L189 PolarHBondContact O-N 3.32Å; L189-R191 VanDerWaalsContact C-N 3.32Å; L189-R191 PolarHBondContact O-N 2.81Å; L189-V192 PolarHBondContact O-N 3.12Å; L189-A193 WeakPolarHBondContact O-CB 2.93Å; L189-A193 PolarHBondContact O-N 3.25Å; L189-V209 HydrophobicContact CD2-CB 3.69Å; L189-V209 HydrophobicContact CD2-CG1 3.62Å; L189-V209 HydrophobicContact CD2-CG2 4.47Å; L189-V209 HydrophobicContact CG-CG1 4.14Å; L189-V211 HydrophobicContact CD1-CG2 4.42Å; L189-V211 HydrophobicContact CD2-CG2 4.41Å
190H96.1Very high95.4Very high35 Ų3539 Ų3916%0.16221%0.213CC..Hα-helixtrans-58.2-45.7176.2-76.1-56.1000111.6R186 M187 L188 A193 A194 H200R186-H190 PolarHBondContact O-CD2 3.41Å; R186-H190 PolarHBondContact O-N 3.23Å; M187-H190 PolarHBondContact O-N 2.88Å; L188-H190 VanDerWaalsContact C-N 3.33Å; L188-H190 PolarHBondContact O-N 3.26Å; H190-A193 PolarHBondContact O-N 2.91Å; H190-A194 WeakPolarHBondContact O-CB 3.28Å; H190-A194 PolarHBondContact O-N 2.9Å; H190-H200 AromaticContact CE1-CD2 3.84Å; H190-H200 AromaticContact CG-CD2 3.84Å; H190-H200 AromaticContact ND1-CD2 2.99Å; H190-H200 PolarHBondContact ND1-CD2 3.25Å; H190-H200 AromaticContact ND1-CG 3.52Å; H190-H200 AromaticContact ND1-NE2 3.93Å
191R95.6Very high95.4Very high38 Ų3837.6 Ų37.614%0.14320%0.2CC..Hα-helixtrans-66.6-43.3178-71-174.6177.5163.56.1112.7D133 L139 F142 M187 L188 L189 A194 Y195D133-R191 IonicContact OD2-NE 3.56Å; L139-R191 HydrophobicContact CD2-CB 3.7Å; L139-R191 HydrophobicContact CD2-CG 3.87Å; F142-R191 HydrophobicContact CD1-CB 4.42Å; F142-R191 VanDerWaalsContact CD1-CD 3.41Å; F142-R191 HydrophobicContact CE1-CB 4.39Å; M187-R191 PolarHBondContact O-N 2.97Å; M187-R191 VanDerWaalsContact O-N 3.16Å; L188-R191 PolarHBondContact O-N 2.82Å; L189-R191 VanDerWaalsContact C-N 3.32Å; L189-R191 PolarHBondContact O-N 2.81Å; R191-A194 PolarHBondContact O-N 2.77Å; R191-Y195 WeakPolarHBondContact O-CB 3.48Å; R191-Y195 PolarHBondContact O-N 3.43Å
192V95.7Very high95.4Very high0 Ų038.7 Ų38.70%021%0.209CC..Hα-helixtrans-63.8-47.4176-1790000109.9L143 L157 I164 L188 L189 A194 Y195 F196 F224L143-V192 HydrophobicContact CD2-CG2 3.88Å; L157-V192 HydrophobicContact CD2-CG2 3.48Å; L157-V192 VanDerWaalsContact CD2-CG2 3.48Å; I164-V192 HydrophobicContact CD1-CB 4.18Å; I164-V192 HydrophobicContact CD1-CG1 3.49Å; I164-V192 VanDerWaalsContact CD1-CG1 3.49Å; L188-V192 VanDerWaalsContact O-CG2 3.32Å; L188-V192 WeakPolarHBondContact O-CG2 3.42Å; L188-V192 PolarHBondContact O-N 3.49Å; L189-V192 PolarHBondContact O-N 3.12Å; V192-A194 VanDerWaalsContact C-N 3.3Å; V192-A194 PolarHBondContact O-N 2.88Å; V192-Y195 WeakPolarHBondContact O-CB 3.43Å; V192-Y195 PolarHBondContact O-N 3.09Å; V192-F196 HydrophobicContact CG1-CD2 3.81Å; V192-F196 HydrophobicContact CG1-CE2 3.76Å; V192-F196 VanDerWaalsContact O-CD2 3.29Å; V192-F196 WeakPolarHBondContact O-CD2 3.38Å; V192-F196 PolarHBondContact O-N 3Å; V192-F224 HydrophobicContact CG1-CE2 4.1Å; V192-F224 HydrophobicContact CG1-CZ 4.08Å; V192-F224 HydrophobicContact CG2-CE2 4.14Å; V192-F224 HydrophobicContact CG2-CZ 4.27Å
193A95.8Very high95.3Very high0 Ų036.7 Ų36.70%020%0.195CC..Hα-helixtrans-57.8-43.7177.500000111.7L189 H190 Y195 F196 G197 L198 H200 V211L189-A193 WeakPolarHBondContact O-CB 2.93Å; L189-A193 PolarHBondContact O-N 3.25Å; H190-A193 PolarHBondContact O-N 2.91Å; A193-Y195 VanDerWaalsContact C-N 3.32Å; A193-Y195 PolarHBondContact O-N 2.8Å; A193-F196 CarbonylContact O-C 3.59Å; A193-F196 PolarHBondContact O-N 2.78Å; A193-G197 PolarHBondContact O-N 2.66Å; A193-L198 HydrophobicContact CB-CB 4.21Å; A193-L198 WeakPolarHBondContact O-CB 3.35Å; A193-L198 PolarHBondContact O-N 3.42Å; A193-H200 HydrophobicContact CB-CB 3.97Å; A193-V211 HydrophobicContact CB-CG1 4.21Å; A193-V211 HydrophobicContact CB-CG2 4.26Å
194A94.5Very high95.2Very high23 Ų2341.8 Ų41.819%0.1921%0.208CC..Hα-helixtrans-59.6-41.5173.900000112.3L139 H190 R191 V192 F196 G197L139-A194 HydrophobicContact CD1-CB 3.65Å; L139-A194 HydrophobicContact CD2-CB 4.44Å; H190-A194 WeakPolarHBondContact O-CB 3.28Å; H190-A194 PolarHBondContact O-N 2.9Å; R191-A194 PolarHBondContact O-N 2.77Å; V192-A194 VanDerWaalsContact C-N 3.3Å; V192-A194 PolarHBondContact O-N 2.88Å; A194-F196 VanDerWaalsContact C-N 3.28Å; A194-F196 PolarHBondContact O-N 2.87Å; A194-G197 WeakPolarHBondContact O-CA 3.46Å; A194-G197 PolarHBondContact O-N 2.86Å
195Y94.1Very high95Very high14 Ų1440.8 Ų40.86%0.05521%0.214CC..Hα-helixtrans-62.8-34.1178.2-176.2-106.2000112.7Y131 L139 H140 L143 R191 V192 A193 G197 P220 F224Y131-Y195 AromaticContact CD1-CD2 3.42Å; Y131-Y195 HydrophobicContact CD1-CD2 3.42Å; Y131-Y195 VanDerWaalsContact CD1-CD2 3.42Å; Y131-Y195 AromaticContact CD1-CE2 3.37Å; Y131-Y195 HydrophobicContact CD1-CE2 3.37Å; Y131-Y195 HydrophobicContact CD1-CG 4.45Å; Y131-Y195 AromaticContact CE1-CD2 3.78Å; Y131-Y195 HydrophobicContact CE1-CD2 3.78Å; Y131-Y195 AromaticContact CE1-CE2 3.45Å; Y131-Y195 HydrophobicContact CE1-CE2 3.45Å; Y131-Y195 VanDerWaalsContact CE1-CE2 3.45Å; Y131-Y195 HydrophobicContact CG-CD2 4.48Å; Y131-Y195 HydrophobicContact CG-CE2 4.3Å; L139-Y195 HydrophobicContact CB-CD2 4.06Å; H140-Y195 HydrophobicContact CB-CE2 4.26Å; L143-Y195 HydrophobicContact CD1-CD1 3.83Å; L143-Y195 HydrophobicContact CD1-CD2 3.69Å; L143-Y195 HydrophobicContact CD1-CE1 4.29Å; L143-Y195 HydrophobicContact CD1-CE2 4.2Å; L143-Y195 HydrophobicContact CD1-CG 3.51Å; R191-Y195 WeakPolarHBondContact O-CB 3.48Å; R191-Y195 PolarHBondContact O-N 3.43Å; V192-Y195 WeakPolarHBondContact O-CB 3.43Å; V192-Y195 PolarHBondContact O-N 3.09Å; A193-Y195 VanDerWaalsContact C-N 3.32Å; A193-Y195 PolarHBondContact O-N 2.8Å; Y195-G197 VanDerWaalsContact C-N 3.27Å; Y195-P220 HydrophobicContact CD1-CB 4.45Å; Y195-P220 HydrophobicContact CD1-CG 3.66Å; Y195-P220 HydrophobicContact CE1-CB 3.58Å; Y195-P220 HydrophobicContact CE1-CG 3.27Å; Y195-F224 HydrophobicContact CD1-CE1 4.15Å; Y195-F224 HydrophobicContact CD1-CZ 4.39Å; Y195-F224 AromaticContact CE1-CE1 3.98Å; Y195-F224 HydrophobicContact CE1-CE1 3.98Å
196F94.1Very high94.8Very high2 Ų239.8 Ų39.81%0.00922%0.219CC..THydrogen-bonded Turntrans-83.62.9173.1-77.6-92.3000113.4E161 I164 L165 I168 V192 A193 A194 L198 T217 R218 P220 F224E161-F196 HydrophobicContact CG-CZ 4.11Å; I164-F196 HydrophobicContact CD1-CD2 4.5Å; I164-F196 HydrophobicContact CG2-CB 4.12Å; I164-F196 HydrophobicContact CG2-CD1 3.86Å; I164-F196 HydrophobicContact CG2-CD2 3.93Å; I164-F196 HydrophobicContact CG2-CE1 4.25Å; I164-F196 HydrophobicContact CG2-CE2 4.34Å; I164-F196 HydrophobicContact CG2-CG 3.7Å; I164-F196 HydrophobicContact CG2-CZ 4.49Å; L165-F196 HydrophobicContact CD2-CE1 3.84Å; L165-F196 HydrophobicContact CD2-CZ 4.49Å; L165-F196 HydrophobicContact CG-CE1 4.31Å; I168-F196 HydrophobicContact CD1-CB 4.46Å; I168-F196 HydrophobicContact CD1-CD1 3.83Å; I168-F196 HydrophobicContact CD1-CG 4.48Å; V192-F196 HydrophobicContact CG1-CD2 3.81Å; V192-F196 HydrophobicContact CG1-CE2 3.76Å; V192-F196 VanDerWaalsContact O-CD2 3.29Å; V192-F196 WeakPolarHBondContact O-CD2 3.38Å; V192-F196 PolarHBondContact O-N 3Å; A193-F196 CarbonylContact O-C 3.59Å; A193-F196 PolarHBondContact O-N 2.78Å; A194-F196 VanDerWaalsContact C-N 3.28Å; A194-F196 PolarHBondContact O-N 2.87Å; F196-L198 HydrophobicContact CB-CD1 4.03Å; F196-L198 HydrophobicContact CB-CG 4.11Å; F196-L198 PolarHBondContact O-N 3.33Å; F196-T217 WeakPolarHBondContact O-CA 3.38Å; F196-R218 WeakPolarHBondContact CD1-O 3.43Å; F196-R218 PolarHBondContact O-N 3.3Å; F196-P220 VanDerWaalsContact CD1-CD 3.46Å; F196-P220 HydrophobicContact CD1-CG 4.25Å; F196-P220 HydrophobicContact CE1-CG 4.14Å; F196-P220 HydrophobicContact CZ-CG 4.38Å; F196-F224 HydrophobicContact CE2-CZ 4.3Å
197G92.8Very high94.7Very high23 Ų2344.3 Ų44.324%0.23724%0.24CC..THydrogen-bonded Turntrans67.920.9-177.700000114.1A193 A194 Y195 T214 N216A193-G197 PolarHBondContact O-N 2.66Å; A194-G197 WeakPolarHBondContact O-CA 3.46Å; A194-G197 PolarHBondContact O-N 2.86Å; Y195-G197 VanDerWaalsContact C-N 3.27Å; G197-T214 PolarHBondContact O-OG1 3.4Å; G197-N216 CarbonylContact O-C 3.56Å
198L94.4Very high94.7Very high5 Ų541.8 Ų41.83%0.02623%0.229CC..  trans-86.6140.6177.7-63.9168.9000110.9I164 F167 I168 A193 F196 H200 V211 T217I164-L198 HydrophobicContact CG1-CD1 4.38Å; I164-L198 HydrophobicContact CG2-CD1 3.6Å; F167-L198 HydrophobicContact CE1-CD2 4.41Å; I168-L198 HydrophobicContact CD1-CD1 4.29Å; I168-L198 HydrophobicContact CG1-CD1 4.41Å; I168-L198 HydrophobicContact CG1-CD2 4.43Å; A193-L198 HydrophobicContact CB-CB 4.21Å; A193-L198 WeakPolarHBondContact O-CB 3.35Å; A193-L198 PolarHBondContact O-N 3.42Å; F196-L198 HydrophobicContact CB-CD1 4.03Å; F196-L198 HydrophobicContact CB-CG 4.11Å; F196-L198 PolarHBondContact O-N 3.33Å; L198-H200 PolarHBondContact O-ND1 3.09Å; L198-V211 HydrophobicContact CB-CG1 3.5Å; L198-V211 VanDerWaalsContact CB-CG1 3.5Å; L198-V211 HydrophobicContact CD1-CG1 3.64Å; L198-V211 HydrophobicContact CD2-CG1 4.44Å; L198-V211 HydrophobicContact CG-CG1 4.06Å; L198-T217 HydrophobicContact CD2-CG2 3.48Å; L198-T217 VanDerWaalsContact CD2-CG2 3.48Å; L198-T217 WeakPolarHBondContact CD2-OG1 3.25Å; L198-T217 HydrophobicContact CG-CG2 4.21Å
199D94.8Very high94.7Very high69 Ų6941.8 Ų41.837%0.36923%0.229SC..EExtended strand (participates in β ladder)trans-75.7137.1171.5171.548.4000109.6N201 V211 N212 T214D199-N201 PolarHBondContact OD1-ND2 2.87Å; D199-N201 PolarHBondContact OD2-ND2 2.81Å; D199-V211 CarbonylContact O-C 3.52Å; D199-V211 VanDerWaalsContact O-CA 3.3Å; D199-V211 WeakPolarHBondContact O-CA 3.16Å; D199-N212 HydrophobicContact CB-CB 4.26Å; D199-N212 PolarHBondContact N-O 3.05Å; D199-N212 PolarHBondContact O-N 3.28Å; D199-N212 PolarHBondContact OD2-ND2 2.58Å; D199-T214 HydrophobicContact CB-CG2 3.44Å; D199-T214 VanDerWaalsContact CB-CG2 3.44Å
200H95.3Very high94.7Very high53 Ų5342.3 Ų42.325%0.24523%0.231CC..EExtended strand (participates in β ladder)trans-136.2127.5-172.653.3-94.7000110.5H190 A193 L198 I210 V211H190-H200 AromaticContact CE1-CD2 3.84Å; H190-H200 AromaticContact CG-CD2 3.84Å; H190-H200 AromaticContact ND1-CD2 2.99Å; H190-H200 PolarHBondContact ND1-CD2 3.25Å; H190-H200 AromaticContact ND1-CG 3.52Å; H190-H200 AromaticContact ND1-NE2 3.93Å; A193-H200 HydrophobicContact CB-CB 3.97Å; L198-H200 PolarHBondContact O-ND1 3.09Å; H200-I210 WeakPolarHBondContact CA-O 3.35Å; H200-V211 HydrophobicContact CB-CG2 4.46Å
201N95.1Very high94.7Very high68 Ų6840.7 Ų40.736%0.36422%0.224SC..EExtended strand (participates in β ladder)trans-130.8154.7-177.4-66.3-88.7000109.8D199 V209 I210 N212D199-N201 PolarHBondContact OD1-ND2 2.87Å; D199-N201 PolarHBondContact OD2-ND2 2.81Å; N201-V209 CarbonylContact O-C 3.52Å; N201-V209 WeakPolarHBondContact O-CA 3.43Å; N201-I210 PolarHBondContact N-O 3.12Å; N201-I210 PolarHBondContact O-N 3.36Å; N201-N212 PolarHBondContact ND2-ND2 2.86Å
202V94.4Very high94.7Very high61 Ų6139.9 Ų39.937%0.3722%0.222SC..EExtended strand (participates in β ladder)trans-89.1140.6172.8-171.30000108.4
203D94.5Very high94.7Very high35 Ų3542.4 Ų42.419%0.18723%0.233CC..  trans-59.1154.6173.2-171.954.5000111.4K177 S205 G206 S208 I210K177-D203 IonicContact NZ-OD1 2.88Å; K177-D203 PolarHBondContact NZ-OD1 3.41Å; K177-D203 IonicContact NZ-OD2 3.72Å; K177-D203 PolarHBondContact NZ-OD2 3.36Å; D203-S205 PolarHBondContact O-N 3.04Å; D203-S205 WeakPolarHBondContact OD2-CB 3.38Å; D203-S205 PolarHBondContact OD2-OG 2.76Å; D203-G206 PolarHBondContact O-N 2.92Å; D203-S208 WeakPolarHBondContact CB-O 3.49Å; D203-S208 PolarHBondContact N-O 3.41Å; D203-I210 HydrophobicContact CB-CD1 3.98Å
204Q93.6Very high94.5Very high202 Ų20244.8 Ų44.894%0.94425%0.248SC*.THydrogen-bonded Turntrans-52.4-31.3177.2-163.597.733.100112.3G206Q204-G206 VanDerWaalsContact C-N 3.33Å
205S92.8Very high94.3Very high66 Ų6649.4 Ų49.446%0.46228%0.279SS..THydrogen-bonded Turntrans-76.6-12.4177.669.80000115D203 K207D203-S205 PolarHBondContact O-N 3.04Å; D203-S205 WeakPolarHBondContact OD2-CB 3.38Å; D203-S205 PolarHBondContact OD2-OG 2.76Å; S205-K207 PolarHBondContact O-N 3.25Å; S205-K207 PolarHBondContact OG-N 3.1Å
206G91.6Very high94.1Very high37 Ų3754.4 Ų54.438%0.38131%0.306SS..SBendtrans76.9-11.4-173.500000115.1R186 D203 Q204R186-G206 PolarHBondContact NE-O 3.37Å; D203-G206 PolarHBondContact O-N 2.92Å; Q204-G206 VanDerWaalsContact C-N 3.33Å
207K94.2Very high94Very high141 Ų14156.1 Ų56.161%0.61332%0.317SS*.SBendtrans-87.8-25-168-63.4-179.1-177.1-179.60114.3P180 M181 S205P180-K207 VanDerWaalsContact CA-O 3.28Å; P180-K207 WeakPolarHBondContact CA-O 3.39Å; P180-K207 HydrophobicContact CB-CB 4.42Å; M181-K207 PolarHBondContact N-O 3.39Å; M181-K207 VanDerWaalsContact N-O 3.16Å; S205-K207 PolarHBondContact O-N 3.25Å; S205-K207 PolarHBondContact OG-N 3.1Å
208S95.3Very high93.9Very high6 Ų660.5 Ų60.54%0.04233%0.326CS..  trans-121.9157.9-176.6-74.10000111.3F178 D203F178-S208 VanDerWaalsContact O-CB 3.3Å; F178-S208 WeakPolarHBondContact O-CB 3.33Å; F178-S208 PolarHBondContact O-OG 3.15Å; D203-S208 WeakPolarHBondContact CB-O 3.49Å; D203-S208 PolarHBondContact N-O 3.41Å
209V96.9Very high93.7Very high0 Ų064.4 Ų64.40%035%0.346CS..EExtended strand (participates in β ladder)trans-112.4141.1172174.90000108.4F178 R186 L189 N201 V211F178-V209 PolarHBondContact N-O 3.49Å; R186-V209 HydrophobicContact CB-CG2 3.77Å; R186-V209 HydrophobicContact CG-CG2 3.66Å; L189-V209 HydrophobicContact CD2-CB 3.69Å; L189-V209 HydrophobicContact CD2-CG1 3.62Å; L189-V209 HydrophobicContact CD2-CG2 4.47Å; L189-V209 HydrophobicContact CG-CG1 4.14Å; N201-V209 CarbonylContact O-C 3.52Å; N201-V209 WeakPolarHBondContact O-CA 3.43Å; V209-V211 HydrophobicContact CG1-CG2 4.25Å
210I96.3Very high93.4Very high11 Ų1161.4 Ų61.46%0.05633%0.331CS..EExtended strand (participates in β ladder)trans-122.3126.2-176.8-54.5158.4000107.7R175 K176 K177 H200 N201 D203R175-I210 VanDerWaalsContact CD-CG2 3.45Å; R175-I210 HydrophobicContact CG-CG2 3.48Å; R175-I210 VanDerWaalsContact CG-CG2 3.48Å; K176-I210 WeakPolarHBondContact O-CA 3.43Å; K177-I210 HydrophobicContact CB-CG1 4.15Å; K177-I210 HydrophobicContact CD-CG1 4.26Å; K177-I210 HydrophobicContact CG-CG1 3.92Å; H200-I210 WeakPolarHBondContact CA-O 3.35Å; N201-I210 PolarHBondContact N-O 3.12Å; N201-I210 PolarHBondContact O-N 3.36Å; D203-I210 HydrophobicContact CB-CD1 3.98Å
211V96.6Very high92.6Very high0 Ų065.5 Ų65.50%035%0.354CS..EExtended strand (participates in β ladder)trans-114.9134.3-176.3-175.50000109.2F167 R175 K176 F178 L189 A193 L198 D199 H200 V209F167-V211 HydrophobicContact CE1-CG1 4.36Å; R175-V211 CarbonylContact C-O 3.58Å; R175-V211 WeakPolarHBondContact CA-O 3.47Å; K176-V211 PolarHBondContact N-O 3.23Å; K176-V211 PolarHBondContact O-N 2.85Å; F178-V211 HydrophobicContact CD2-CG2 4Å; F178-V211 HydrophobicContact CE2-CB 4.04Å; F178-V211 HydrophobicContact CE2-CG2 3.54Å; L189-V211 HydrophobicContact CD1-CG2 4.42Å; L189-V211 HydrophobicContact CD2-CG2 4.41Å; A193-V211 HydrophobicContact CB-CG1 4.21Å; A193-V211 HydrophobicContact CB-CG2 4.26Å; L198-V211 HydrophobicContact CB-CG1 3.5Å; L198-V211 VanDerWaalsContact CB-CG1 3.5Å; L198-V211 HydrophobicContact CD1-CG1 3.64Å; L198-V211 HydrophobicContact CD2-CG1 4.44Å; L198-V211 HydrophobicContact CG-CG1 4.06Å; D199-V211 CarbonylContact O-C 3.52Å; D199-V211 VanDerWaalsContact O-CA 3.3Å; D199-V211 WeakPolarHBondContact O-CA 3.16Å; H200-V211 HydrophobicContact CB-CG2 4.46Å; V209-V211 HydrophobicContact CG1-CG2 4.25Å
212N95.7Very high92Very high21 Ų2165.7 Ų65.711%0.11235%0.353CS..EExtended strand (participates in β ladder)trans-118.6139.8-177.3-50.8-50.4000109.8P174 R175 D199 N201P174-N212 WeakPolarHBondContact O-CA 3.48Å; R175-N212 WeakPolarHBondContact CB-OD1 3.48Å; R175-N212 PolarHBondContact NE-OD1 3.2Å; R175-N212 PolarHBondContact NH2-ND2 3.17Å; R175-N212 PolarHBondContact NH2-OD1 2.99Å; D199-N212 HydrophobicContact CB-CB 4.26Å; D199-N212 PolarHBondContact N-O 3.05Å; D199-N212 PolarHBondContact O-N 3.28Å; D199-N212 PolarHBondContact OD2-ND2 2.58Å; N201-N212 PolarHBondContact ND2-ND2 2.86Å
213K95.1Very high91.8Very high54 Ų5466.3 Ų66.324%0.23535%0.351CS..  trans-71.1133.5168.5-57.6-170.3-172-170.20109.2F167 I168 N170 N171 P174F167-K213 HydrophobicContact CD1-CG 4.44Å; F167-K213 HydrophobicContact CE1-CG 3.58Å; F167-K213 HydrophobicContact CE2-CG 4.41Å; F167-K213 HydrophobicContact CZ-CD 4.35Å; F167-K213 HydrophobicContact CZ-CG 3.58Å; F167-K213 WeakPolarHBondContact O-CE 3.39Å; F167-K213 PolarHBondContact O-NZ 3.31Å; I168-K213 PolarHBondContact O-NZ 3.3Å; N170-K213 PolarHBondContact O-NZ 3.34Å; N171-K213 PolarHBondContact OD1-NZ 2.99Å; P174-K213 PolarHBondContact O-N 3.16Å
214T92.6Very high91.5Very high50 Ų5064.8 Ų64.831%0.30734%0.343SS..  trans-126.8173174.674.80000110.6G197 D199 N216 T217G197-T214 PolarHBondContact O-OG1 3.4Å; D199-T214 HydrophobicContact CB-CG2 3.44Å; D199-T214 VanDerWaalsContact CB-CG2 3.44Å; T214-N216 PolarHBondContact O-N 2.76Å; T214-N216 PolarHBondContact OG1-N 2.95Å; T214-T217 PolarHBondContact N-OG1 3.21Å; T214-T217 WeakPolarHBondContact O-CB 3.41Å; T214-T217 PolarHBondContact O-N 3.11Å; T214-T217 VanDerWaalsContact O-N 3.14Å; T214-T217 PolarHBondContact O-OG1 3.37Å
215S90.9Very high91.1Very high120 Ų12060.1 Ų60.184%0.83932%0.324SS*.THydrogen-bonded Turntrans-61.4-17.9171.852.90000113.9T217S215-T217 VanDerWaalsContact C-N 3.33Å
216N90Very high90.9Very high119 Ų11962.7 Ų62.764%0.63633%0.329SS*.THydrogen-bonded Turntrans-90.8-1.1-179.9-56.9-18000112.2G197 T214 R218G197-N216 CarbonylContact O-C 3.56Å; T214-N216 PolarHBondContact O-N 2.76Å; T214-N216 PolarHBondContact OG1-N 2.95Å; N216-R218 PolarHBondContact O-N 3.03Å
217T91.3Very high90.5Very high38 Ų3861.9 Ų61.923%0.23332%0.315CS..  trans-60.1120.7-179.9-50.10000109.6I168 F196 L198 T214 S215I168-T217 HydrophobicContact CD1-CG2 3.76Å; I168-T217 HydrophobicContact CG1-CG2 3.82Å; I168-T217 HydrophobicContact CG2-CG2 4.22Å; F196-T217 WeakPolarHBondContact O-CA 3.38Å; L198-T217 HydrophobicContact CD2-CG2 3.48Å; L198-T217 VanDerWaalsContact CD2-CG2 3.48Å; L198-T217 WeakPolarHBondContact CD2-OG1 3.25Å; L198-T217 HydrophobicContact CG-CG2 4.21Å; T214-T217 PolarHBondContact N-OG1 3.21Å; T214-T217 WeakPolarHBondContact O-CB 3.41Å; T214-T217 PolarHBondContact O-N 3.11Å; T214-T217 VanDerWaalsContact O-N 3.14Å; T214-T217 PolarHBondContact O-OG1 3.37Å; S215-T217 VanDerWaalsContact C-N 3.33Å
218R90.8Very high89.9Confident115 Ų11556.6 Ų56.643%0.43429%0.293SS..  trans-131.3145.8-179.9-176.9174.2174.7-171.7-3.2109.6E130 F196 N216 P220E130-R218 IonicContact OE2-NH1 2.91Å; F196-R218 WeakPolarHBondContact CD1-O 3.43Å; F196-R218 PolarHBondContact O-N 3.3Å; N216-R218 PolarHBondContact O-N 3.03Å; R218-P220 WeakPolarHBondContact O-CD 3.12Å
219I90.7Very high88.6Confident86 Ų8664.5 Ų64.544%0.44133%0.327SS..  trans-95113.4167.8-60.6175.1000106.5L165 I168L165-I219 HydrophobicContact CD2-CG1 4.42Å; L165-I219 HydrophobicContact CD2-CG2 3.96Å; I168-I219 HydrophobicContact CD1-CG1 4.5Å; I168-I219 HydrophobicContact CG2-CD1 4.2Å; I168-I219 HydrophobicContact CG2-CG1 4.29Å
220P87.4Confident86.6Confident6 Ų671 Ų714%0.03936%0.362CS..  trans-63139.7172.9-20.634000110.4Y195 F196 R218 Q222Y195-P220 HydrophobicContact CD1-CB 4.45Å; Y195-P220 HydrophobicContact CD1-CG 3.66Å; Y195-P220 HydrophobicContact CE1-CB 3.58Å; Y195-P220 HydrophobicContact CE1-CG 3.27Å; F196-P220 VanDerWaalsContact CD1-CD 3.46Å; F196-P220 HydrophobicContact CD1-CG 4.25Å; F196-P220 HydrophobicContact CE1-CG 4.14Å; F196-P220 HydrophobicContact CZ-CG 4.38Å; R218-P220 WeakPolarHBondContact O-CD 3.12Å; P220-Q222 PolarHBondContact O-N 2.89Å
221D77.8Confident84.7Confident140 Ų14075.5 Ų75.575%0.74939%0.386SS*.SBendtrans-69.7-28.3-179.4-58.7-42.5000111.7
222Q83.7Confident82.8Confident72 Ų7283.9 Ų83.934%0.33642%0.417SS..SBendtrans-93.4115.8-179.2-156.8177.38.900111.3H140 P220 E226 H227H140-Q222 PolarHBondContact CE1-OE1 2.66Å; P220-Q222 PolarHBondContact O-N 2.89Å; Q222-E226 WeakPolarHBondContact CG-OE2 3.23Å; Q222-H227 VanDerWaalsContact CD-NE2 3.32Å; Q222-H227 VanDerWaalsContact CG-CE1 3.5Å; Q222-H227 WeakPolarHBondContact CG-CE1 3.16Å; Q222-H227 PolarHBondContact NE2-CE1 3.24Å; Q222-H227 PolarHBondContact NE2-NE2 3.16Å; Q222-H227 PolarHBondContact OE1-CE1 3.22Å
223K89.4Confident80.8Confident73 Ų7386.1 Ų86.132%0.31745%0.445SS..  trans-76.1154.2177.3-63.2-68-174.6-172.80111.7E161 N225 E226 H227E161-K223 WeakPolarHBondContact OE1-CA 3.3Å; E161-K223 WeakPolarHBondContact OE1-CD 3.28Å; K223-N225 PolarHBondContact O-N 2.87Å; K223-E226 HydrophobicContact CB-CG 4.27Å; K223-E226 PolarHBondContact N-OE1 3.39Å; K223-E226 PolarHBondContact O-N 3.36Å; K223-H227 PolarHBondContact O-ND1 3.16Å
224F88.4Confident78.8Confident4 Ų490.1 Ų90.12%0.01847%0.465CS..G310 helixtrans-64.5-32.1174.3-64.4-12.1000112.1L143 L147 L157 L158 E161 V192 Y195 F196 E226 H227L143-F224 HydrophobicContact CD1-CE1 3.88Å; L143-F224 HydrophobicContact CD1-CZ 3.87Å; L143-F224 HydrophobicContact CD2-CE1 4.46Å; L143-F224 HydrophobicContact CD2-CE2 4.42Å; L143-F224 HydrophobicContact CD2-CZ 3.93Å; L143-F224 HydrophobicContact CG-CZ 4.42Å; L147-F224 HydrophobicContact CD1-CB 3.68Å; L147-F224 HydrophobicContact CD1-CD1 4.05Å; L147-F224 HydrophobicContact CD1-CG 3.89Å; L147-F224 HydrophobicContact CD2-CB 4.01Å; L147-F224 HydrophobicContact CD2-CG 4.5Å; L157-F224 HydrophobicContact CB-CD2 4.02Å; L157-F224 HydrophobicContact CB-CE2 4.24Å; L157-F224 HydrophobicContact CD2-CE2 4.43Å; L158-F224 HydrophobicContact CD2-CB 4.01Å; E161-F224 HydrophobicContact CB-CD2 3.63Å; E161-F224 HydrophobicContact CB-CE2 3.82Å; E161-F224 HydrophobicContact CB-CG 4.41Å; E161-F224 HydrophobicContact CG-CD2 4.15Å; E161-F224 HydrophobicContact CG-CE2 4.42Å; E161-F224 HydrophobicContact CG-CG 4.48Å; E161-F224 PolarHBondContact OE1-N 2.89Å; E161-F224 VanDerWaalsContact OE2-CB 3.3Å; E161-F224 WeakPolarHBondContact OE2-CB 3.48Å; E161-F224 PolarHBondContact OE2-N 3.49Å; V192-F224 HydrophobicContact CG1-CE2 4.1Å; V192-F224 HydrophobicContact CG1-CZ 4.08Å; V192-F224 HydrophobicContact CG2-CE2 4.14Å; V192-F224 HydrophobicContact CG2-CZ 4.27Å; Y195-F224 HydrophobicContact CD1-CE1 4.15Å; Y195-F224 HydrophobicContact CD1-CZ 4.39Å; Y195-F224 AromaticContact CE1-CE1 3.98Å; Y195-F224 HydrophobicContact CE1-CE1 3.98Å; F196-F224 HydrophobicContact CE2-CZ 4.3Å; F224-E226 PolarHBondContact O-N 3.41Å; F224-H227 PolarHBondContact O-N 3.32Å
225N86.4Confident77.1Confident104 Ų10494 Ų9456%0.55648%0.484SS*.G310 helixtrans-62.9-29.8180-154.98000113.1L158 K223 H227 I228L158-N225 HydrophobicContact CD2-CB 4.06Å; K223-N225 PolarHBondContact O-N 2.87Å; N225-H227 PolarHBondContact O-N 3.32Å; N225-I228 PolarHBondContact O-N 3.5Å
226E87.3Confident75.2Confident119 Ų11995.5 Ų95.556%0.55648%0.475SS*.G310 helixtrans-67.9-24.7178.9-67.9168.1-155.100113.2Q222 K223 F224 I228Q222-E226 WeakPolarHBondContact CG-OE2 3.23Å; K223-E226 HydrophobicContact CB-CG 4.27Å; K223-E226 PolarHBondContact N-OE1 3.39Å; K223-E226 PolarHBondContact O-N 3.36Å; F224-E226 PolarHBondContact O-N 3.41Å; E226-I228 VanDerWaalsContact C-N 3.33Å
227H83Confident73.5Confident21 Ų2197.2 Ų97.210%0.09748%0.48CS..G310 helixtrans-83.5-14.8178.8-68.596.3000113.4H140 V144 L147 Q222 K223 F224 N225 K229H140-H227 AromaticContact CE1-NE2 3.93Å; V144-H227 VanDerWaalsContact CG2-CD2 3.44Å; V144-H227 WeakPolarHBondContact CG2-CD2 3.3Å; V144-H227 VanDerWaalsContact CG2-NE2 3.26Å; V144-H227 WeakPolarHBondContact CG2-NE2 3.26Å; L147-H227 HydrophobicContact CD1-CB 4.15Å; Q222-H227 VanDerWaalsContact CD-NE2 3.32Å; Q222-H227 VanDerWaalsContact CG-CE1 3.5Å; Q222-H227 WeakPolarHBondContact CG-CE1 3.16Å; Q222-H227 PolarHBondContact NE2-CE1 3.24Å; Q222-H227 PolarHBondContact NE2-NE2 3.16Å; Q222-H227 PolarHBondContact OE1-CE1 3.22Å; K223-H227 PolarHBondContact O-ND1 3.16Å; F224-H227 PolarHBondContact O-N 3.32Å; N225-H227 PolarHBondContact O-N 3.32Å; H227-K229 VanDerWaalsContact C-N 3.32Å; H227-K229 PolarHBondContact O-N 3.27Å; H227-K229 VanDerWaalsContact O-N 3.09Å
228I82.4Confident71.8Confident29 Ų29102.1 Ų102.115%0.14950%0.498CS..SBendtrans-82.288.5174.5-56.2167.6000105.1R154 L158 N225 E226 D230R154-I228 HydrophobicContact CG-CD1 3.43Å; R154-I228 VanDerWaalsContact CG-CD1 3.43Å; R154-I228 HydrophobicContact CG-CG1 3.88Å; L158-I228 HydrophobicContact CD1-CD1 3.61Å; L158-I228 HydrophobicContact CD2-CD1 3.91Å; L158-I228 HydrophobicContact CG-CD1 4Å; N225-I228 PolarHBondContact O-N 3.5Å; E226-I228 VanDerWaalsContact C-N 3.33Å; I228-D230 PolarHBondContact O-N 2.79Å
229K68.1Low70.4Confident173 Ų173107.3 Ų107.375%0.75252%0.517SS*.  trans-52.7136.4165.6-66.5-167.1177.4-164.20107.1H227 D231H227-K229 VanDerWaalsContact C-N 3.32Å; H227-K229 PolarHBondContact O-N 3.27Å; H227-K229 VanDerWaalsContact O-N 3.09Å; K229-D231 PolarHBondContact O-N 3.37Å
230D54.6Low68.9Low137 Ų137112.1 Ų112.173%0.73353%0.531SS*.  trans-66.762.3-173.6-138.615.8000110.4I228 R232I228-D230 PolarHBondContact O-N 2.79Å; D230-R232 PolarHBondContact O-N 2.63Å; D230-R232 WeakPolarHBondContact OD1-CD 3.16Å; D230-R232 VanDerWaalsContact OD1-CG 3.23Å; D230-R232 WeakPolarHBondContact OD1-CG 3.49Å
231D55.6Low68Low105 Ų105118.8 Ų118.856%0.56157%0.565SS**  trans-79.746.9177.1-161.916.9000109.1K229 G233K229-D231 PolarHBondContact O-N 3.37Å; D231-G233 PolarHBondContact O-N 2.73Å; D231-G233 VanDerWaalsContact O-N 3.16Å
232R57.1Low67.6Low176 Ų176119.9 Ų119.966%0.66457%0.57SS**THydrogen-bonded Turntrans-72.76.1173.8-52-17292.5-151.46.8111.3D230D230-R232 PolarHBondContact O-N 2.63Å; D230-R232 WeakPolarHBondContact OD1-CD 3.16Å; D230-R232 VanDerWaalsContact OD1-CG 3.23Å; D230-R232 WeakPolarHBondContact OD1-CG 3.49Å
233G54.3Low66.8Low68 Ų68124.9 Ų124.970%0.70159%0.591SS**THydrogen-bonded Turntrans-88.2-35.1-176.200000114.6D231D231-G233 PolarHBondContact O-N 2.73Å; D231-G233 VanDerWaalsContact O-N 3.16Å
234E53.8Low65.6Low137 Ų137132 Ų13264%0.6462%0.615SS**THydrogen-bonded Turntrans-112-32.5-164.5-149.3167.1-158.500114.8F236 Q237E234-F236 PolarHBondContact O-N 3.44Å; E234-Q237 WeakPolarHBondContact O-CG 3.41Å; E234-Q237 PolarHBondContact O-N 2.74Å
235D55.1Low63.9Low133 Ų133137.4 Ų137.471%0.71164%0.644SS**THydrogen-bonded Turntrans-89.4-5.6-173-145.414.1000114.2
236F52.2Low62.4Low150 Ų150139.9 Ų139.966%0.65866%0.658SS**THydrogen-bonded Turntrans-87.716.9163.5-71.3-74.8000112.6E234 K238E234-F236 PolarHBondContact O-N 3.44Å; F236-K238 PolarHBondContact O-N 2.89Å
237Q54.9Low61.1Low155 Ų155139.6 Ų139.672%0.72467%0.669SS**  trans-61.984.3156.1-71.9-151.93.900107.7E234 R239E234-Q237 WeakPolarHBondContact O-CG 3.41Å; E234-Q237 PolarHBondContact O-N 2.74Å; Q237-R239 VanDerWaalsContact C-N 3.32Å; Q237-R239 PolarHBondContact O-N 2.98Å
238K55.3Low59.5Low141 Ų141143.4 Ų143.461%0.61370%0.698SS**  trans-35.3103.2164.4-73168.7-179169.70105.1F236 Y240F236-K238 PolarHBondContact O-N 2.89Å; K238-Y240 HydrophobicContact CB-CD2 3.64Å; K238-Y240 HydrophobicContact CB-CE2 3.59Å; K238-Y240 HydrophobicContact CB-CG 4.31Å; K238-Y240 HydrophobicContact CD-CD2 4.5Å; K238-Y240 HydrophobicContact CD-CE1 4.25Å; K238-Y240 HydrophobicContact CD-CE2 3.71Å; K238-Y240 HydrophobicContact CG-CE2 4.31Å; K238-Y240 WeakPolarHBondContact O-CD2 3.36Å; K238-Y240 PolarHBondContact O-N 2.91Å
239R60.5Low58.1Low225 Ų225151.1 Ų151.185%0.84973%0.731SS**  trans-58.491.4144.1-70.4-166.2-64.7-94.3-2103.1Q237 I241Q237-R239 VanDerWaalsContact C-N 3.32Å; Q237-R239 PolarHBondContact O-N 2.98Å; R239-I241 PolarHBondContact O-N 3.4Å
240Y58.8Low57.5Low187 Ų187149 Ų14973%0.73373%0.728SS**  trans-59.286.2158-75.2-91.5000103.5K238 L242K238-Y240 HydrophobicContact CB-CD2 3.64Å; K238-Y240 HydrophobicContact CB-CE2 3.59Å; K238-Y240 HydrophobicContact CB-CG 4.31Å; K238-Y240 HydrophobicContact CD-CD2 4.5Å; K238-Y240 HydrophobicContact CD-CE1 4.25Å; K238-Y240 HydrophobicContact CD-CE2 3.71Å; K238-Y240 HydrophobicContact CG-CE2 4.31Å; K238-Y240 WeakPolarHBondContact O-CD2 3.36Å; K238-Y240 PolarHBondContact O-N 2.91Å; Y240-L242 VanDerWaalsContact C-N 3.25Å; Y240-L242 PolarHBondContact O-N 3.01Å
241I68.3Low57.6Low146 Ų146152.1 Ų152.175%0.74974%0.735SS**  trans-59109.7155.2-52.9171000101.2R239 K243R239-I241 PolarHBondContact O-N 3.4Å; I241-K243 PolarHBondContact O-N 2.94Å
242L70.8Confident57.4Low163 Ų163152 Ų15285%0.85373%0.734SS**  trans-47.1114.2176.3-166.674.8000105.6Y240 R244Y240-L242 VanDerWaalsContact C-N 3.25Å; Y240-L242 PolarHBondContact O-N 3.01Å; L242-R244 PolarHBondContact O-N 3.35Å
243K67.3Low57.2Low176 Ų176147.7 Ų147.777%0.76572%0.724SS**  trans-55.3117.2178.2-76.7-159.3175-173.20105I241 D245I241-K243 PolarHBondContact O-N 2.94Å; K243-D245 VanDerWaalsContact C-N 3.32Å; K243-D245 PolarHBondContact O-N 2.92Å
244R62.7Low57.2Low223 Ų223148.4 Ų148.484%0.84272%0.719SS**  trans-68.4106.3165.1-162.2179-172.6100.9-0.5103.9L242 N246L242-R244 PolarHBondContact O-N 3.35Å; R244-N246 PolarHBondContact O-N 3.28Å; R244-N246 PolarHBondContact O-OD1 3.03Å
245D53.9Low57.4Low117 Ų117148.7 Ų148.763%0.62672%0.72SS**  trans-60104.3176.7-60.7-40.7000107.1K243 S247K243-D245 VanDerWaalsContact C-N 3.32Å; K243-D245 PolarHBondContact O-N 2.92Å; D245-S247 PolarHBondContact O-N 2.91Å
246N54.9Low57.3Low156 Ų156148 Ų14883%0.83471%0.714SS**THydrogen-bonded Turntrans-73.422.5-179-79.7-10.4000112.4R244R244-N246 PolarHBondContact O-N 3.28Å; R244-N246 PolarHBondContact O-OD1 3.03Å
247S59.5Low57.4Low113 Ų113147.9 Ų147.979%0.7971%0.709SS**THydrogen-bonded Turntrans-132.721-177.668.80000114.9D245D245-S247 PolarHBondContact O-N 2.91Å
248S50.3Low57.4Low101 Ų101145.6 Ų145.671%0.70670%0.701SS**  trans-125.618.1173.6100.60000115.7D250S248-D250 PolarHBondContact O-N 2.88Å
249F53.2Low57.4Low191 Ų191149.1 Ų149.184%0.83871%0.71SS**SBendtrans-87.386.4165.4-152.4-91000107.9
250D55.3Low57Low130 Ų130144 Ų14470%0.69570%0.699SS**SBendtrans179.9-18.3132.8-128.8-104.7000116.3S248S248-D250 PolarHBondContact O-N 2.88Å
251K56.4Low56.6Low202 Ų202141.6 Ų141.688%0.87869%0.692SS**SBendtrans-96.4-11.7-164.5-80.1-166.6172.1-175.80118.7
252D50.4Low55.6Low102 Ų102139.4 Ų139.455%0.54568%0.682SS.*SBendtrans-125.8-3.4-175.8-155.629.6000115.7S254 Q255 M256D252-S254 PolarHBondContact O-N 3.48Å; D252-Q255 PolarHBondContact O-N 3.47Å; D252-M256 PolarHBondContact O-N 3.22Å
253D53.9Low54.6Low85 Ų85138.8 Ų138.846%0.45568%0.68SS.*Hα-helixtrans-72.4-16.3175.4-160.246.9000112.1R257D253-R257 WeakPolarHBondContact O-CB 2.95Å; D253-R257 PolarHBondContact O-N 3.35Å; D253-R257 VanDerWaalsContact O-N 3.11Å; D253-R257 IonicContact OD2-CZ 3.89Å; D253-R257 VanDerWaalsContact OD2-CZ 3.3Å; D253-R257 IonicContact OD2-NE 2.78Å; D253-R257 PolarHBondContact OD2-NE 3.29Å; D253-R257 IonicContact OD2-NH2 3.8Å; D253-R257 PolarHBondContact OD2-NH2 3.48Å
254S53.5Low53.9Low84 Ų84140.7 Ų140.759%0.58768%0.682SS**Hα-helixtrans-70.5-35.9174.6-162.90000112.1D252 I258D252-S254 PolarHBondContact O-N 3.48Å; S254-I258 VanDerWaalsContact O-CD1 3.23Å; S254-I258 WeakPolarHBondContact O-CD1 3.48Å; S254-I258 WeakPolarHBondContact O-CG1 3.22Å
255Q57.3Low53.5Low142 Ų142139.4 Ų139.466%0.66468%0.677SS**Hα-helixtrans-82.5-41.1-179.6-64.1-161.323.500112.7D252 I258 R259D252-Q255 PolarHBondContact O-N 3.47Å; Q255-I258 PolarHBondContact O-N 3.22Å; Q255-R259 PolarHBondContact O-N 2.66Å
256M53.9Low53.7Low120 Ų120137.7 Ų137.759%0.59168%0.675SS**Hα-helixtrans-68.4-32.9176.3-88.3-69.6-170.900113D252 I258 R259 L260D252-M256 PolarHBondContact O-N 3.22Å; M256-I258 VanDerWaalsContact C-N 3.3Å; M256-I258 PolarHBondContact O-N 3.45Å; M256-R259 PolarHBondContact O-N 3.11Å; M256-L260 PolarHBondContact O-N 3.39Å
257R53.3Low53.8Low146 Ų146134.3 Ų134.355%0.55165%0.653SS**Hα-helixtrans-73.3-20.1175.6-164.5-171.7-68.1-168.4-3.6113.1D253 K261D253-R257 WeakPolarHBondContact O-CB 2.95Å; D253-R257 PolarHBondContact O-N 3.35Å; D253-R257 VanDerWaalsContact O-N 3.11Å; D253-R257 IonicContact OD2-CZ 3.89Å; D253-R257 VanDerWaalsContact OD2-CZ 3.3Å; D253-R257 IonicContact OD2-NE 2.78Å; D253-R257 PolarHBondContact OD2-NE 3.29Å; D253-R257 IonicContact OD2-NH2 3.8Å; D253-R257 PolarHBondContact OD2-NH2 3.48Å; R257-K261 WeakPolarHBondContact O-CB 3.47Å; R257-K261 WeakPolarHBondContact O-CD 3.32Å; R257-K261 VanDerWaalsContact O-CG 3.22Å; R257-K261 WeakPolarHBondContact O-CG 3.36Å
258I56.3Low54Low107 Ų107132 Ų13255%0.54964%0.637SS.*Hα-helixtrans-79.8-42.5173-67.3167.2000110.3S254 Q255 M256 L260 K261S254-I258 VanDerWaalsContact O-CD1 3.23Å; S254-I258 WeakPolarHBondContact O-CD1 3.48Å; S254-I258 WeakPolarHBondContact O-CG1 3.22Å; Q255-I258 PolarHBondContact O-N 3.22Å; M256-I258 VanDerWaalsContact C-N 3.3Å; M256-I258 PolarHBondContact O-N 3.45Å; I258-L260 PolarHBondContact O-N 2.98Å; I258-K261 PolarHBondContact O-N 3.01Å
259R55Low54.8Low216 Ų216133.4 Ų133.482%0.81564%0.635SS**Hα-helixtrans-69.9-28.9-179.4-73.2-74.5-172.6-179.80.4114.4Q255 M256Q255-R259 PolarHBondContact O-N 2.66Å; M256-R259 PolarHBondContact O-N 3.11Å
260L51.1Low56Low118 Ų118131.5 Ų131.562%0.61863%0.628SS**THydrogen-bonded Turntrans-88.1-8.4174.6-80.5166.2000114.2M256 I258M256-L260 PolarHBondContact O-N 3.39Å; I258-L260 PolarHBondContact O-N 2.98Å
261K51.3Low57.2Low136 Ų136129.9 Ų129.959%0.59162%0.617SS**THydrogen-bonded Turntrans-80.2-23.8177.8-95.1-178174.2-171.60113.7R257 I258 R264 R265R257-K261 WeakPolarHBondContact O-CB 3.47Å; R257-K261 WeakPolarHBondContact O-CD 3.32Å; R257-K261 VanDerWaalsContact O-CG 3.22Å; R257-K261 WeakPolarHBondContact O-CG 3.36Å; I258-K261 PolarHBondContact O-N 3.01Å; K261-R264 CarbonylContact O-C 3.46Å; K261-R264 PolarHBondContact O-N 3.4Å; K261-R265 PolarHBondContact O-N 3.22Å; K261-R265 VanDerWaalsContact O-N 3.15Å
262D47.1Very low58.3Low99 Ų99125.8 Ų125.853%0.52960%0.596SS.*SBendtrans-76.2-29176.1-83.4-39.8000112.6R264 R265D262-R264 VanDerWaalsContact C-N 3.26Å; D262-R264 PolarHBondContact O-N 3.08Å; D262-R265 WeakPolarHBondContact O-CB 3.5Å; D262-R265 PolarHBondContact O-N 2.79Å; D262-R265 WeakPolarHBondContact OD1-CD 3.49Å; D262-R265 IonicContact OD1-CZ 3.39Å; D262-R265 IonicContact OD1-NE 3.03Å; D262-R265 PolarHBondContact OD1-NE 3.37Å; D262-R265 IonicContact OD1-NH1 3.98Å
263D49.4Very low60Low151 Ų151127.2 Ų127.281%0.80760%0.599SS**THydrogen-bonded Turntrans-81.7-12.7175.1-143.513.5000112.5
264R52.1Low61.6Low215 Ų215129 Ų12981%0.81160%0.604SS**THydrogen-bonded Turntrans-100.711.1167.6-112.6-176.7176-147.60.7112.9K261 D262 S266K261-R264 CarbonylContact O-C 3.46Å; K261-R264 PolarHBondContact O-N 3.4Å; D262-R264 VanDerWaalsContact C-N 3.26Å; D262-R264 PolarHBondContact O-N 3.08Å; R264-S266 PolarHBondContact O-N 2.92Å
265R55.4Low63.1Low196 Ų196129.5 Ų129.574%0.7460%0.598SS**  trans-73.572.4155.9-78.5-180172.7-171.5-1.8107.8K261 D262 K267K261-R265 PolarHBondContact O-N 3.22Å; K261-R265 VanDerWaalsContact O-N 3.15Å; D262-R265 WeakPolarHBondContact O-CB 3.5Å; D262-R265 PolarHBondContact O-N 2.79Å; D262-R265 WeakPolarHBondContact OD1-CD 3.49Å; D262-R265 IonicContact OD1-CZ 3.39Å; D262-R265 IonicContact OD1-NE 3.03Å; D262-R265 PolarHBondContact OD1-NE 3.37Å; D262-R265 IonicContact OD1-NH1 3.98Å; R265-K267 PolarHBondContact O-N 3.45Å
266S58.8Low64.6Low82 Ų82130.2 Ų130.257%0.57360%0.596SS**  trans-33.8130.8145.747.30000109.3R264R264-S266 PolarHBondContact O-N 2.92Å
267K57.3Low66.4Low85 Ų85128.2 Ų128.237%0.3758%0.584SS.*SBendtrans-10.2124.8172.2-63.6-179.7172.4179.60113.2R265 I269 E271 R272 E275R265-K267 PolarHBondContact O-N 3.45Å; K267-I269 PolarHBondContact O-N 3.31Å; K267-E271 VanDerWaalsContact CA-OE2 3.26Å; K267-E271 WeakPolarHBondContact CA-OE2 3.26Å; K267-E271 HydrophobicContact CB-CB 4.35Å; K267-E271 HydrophobicContact CB-CG 4.34Å; K267-E271 WeakPolarHBondContact CB-OE2 3.42Å; K267-R272 PolarHBondContact O-NH1 3.3Å; K267-E275 IonicContact NZ-OE1 3.48Å; K267-E275 PolarHBondContact NZ-OE1 3.49Å; K267-E275 IonicContact NZ-OE2 3.7Å; K267-E275 PolarHBondContact NZ-OE2 3.37Å
268S61.8Low68.1Low65 Ų65128.9 Ų128.946%0.45559%0.587SS.*  trans-48.5145.4176-178.20000109.1E270 E271 R272S268-E270 PolarHBondContact O-N 3.25Å; S268-E270 VanDerWaalsContact O-N 3.09Å; S268-E271 PolarHBondContact N-OE2 3.36Å; S268-E271 WeakPolarHBondContact O-CB 3.36Å; S268-E271 PolarHBondContact O-N 2.62Å; S268-R272 PolarHBondContact O-N 2.86Å
269I67.9Low69.8Low130 Ų130126 Ų12667%0.66758%0.579SS**Hα-helixtrans-49.4-38.9178.4-178.761000111.4K267 R272 E273K267-I269 PolarHBondContact O-N 3.31Å; I269-R272 PolarHBondContact O-N 3.22Å; I269-E273 PolarHBondContact O-N 3.47Å; I269-E273 VanDerWaalsContact O-N 3.07Å
270E78.4Confident71.5Confident150 Ų150120.9 Ų120.970%0.70156%0.56SS**Hα-helixtrans-65.3-42.9175.6-175173.8-157.300113S268 R272 E273 E274S268-E270 PolarHBondContact O-N 3.25Å; S268-E270 VanDerWaalsContact O-N 3.09Å; E270-R272 VanDerWaalsContact C-N 3.35Å; E270-R272 PolarHBondContact O-N 3.15Å; E270-E273 PolarHBondContact O-N 3.09Å; E270-E274 WeakPolarHBondContact O-CB 3.24Å; E270-E274 PolarHBondContact O-N 3.25Å
271E79.9Confident73.3Confident97 Ų97118.4 Ų118.445%0.45355%0.547SS..Hα-helixtrans-66.9-37.5177.7-173.4-169.3170.900111.7K267 S268 E275K267-E271 VanDerWaalsContact CA-OE2 3.26Å; K267-E271 WeakPolarHBondContact CA-OE2 3.26Å; K267-E271 HydrophobicContact CB-CB 4.35Å; K267-E271 HydrophobicContact CB-CG 4.34Å; K267-E271 WeakPolarHBondContact CB-OE2 3.42Å; S268-E271 PolarHBondContact N-OE2 3.36Å; S268-E271 WeakPolarHBondContact O-CB 3.36Å; S268-E271 PolarHBondContact O-N 2.62Å; E271-E275 WeakPolarHBondContact O-CB 3.49Å; E271-E275 PolarHBondContact O-N 2.75Å; E271-E275 VanDerWaalsContact O-N 3.09Å
272R81.1Confident74.9Confident115 Ų115122.6 Ų122.643%0.43456%0.559SS.*Hα-helixtrans-68.3-37.1176.2-170.3-173.6-73.395.8-0.3111.4K267 S268 I269 E270 Y276K267-R272 PolarHBondContact O-NH1 3.3Å; S268-R272 PolarHBondContact O-N 2.86Å; I269-R272 PolarHBondContact O-N 3.22Å; E270-R272 VanDerWaalsContact C-N 3.35Å; E270-R272 PolarHBondContact O-N 3.15Å; R272-Y276 WeakPolarHBondContact O-CB 3.48Å; R272-Y276 PolarHBondContact O-N 3.2Å; R272-Y276 VanDerWaalsContact O-N 3.09Å
273E85.9Confident76.8Confident133 Ų133123.4 Ų123.462%0.62156%0.563SS**Hα-helixtrans-70.2-40.2176.5-173.5165.6-14700111.6I269 E270 E275 Y276 Q277I269-E273 PolarHBondContact O-N 3.47Å; I269-E273 VanDerWaalsContact O-N 3.07Å; E270-E273 PolarHBondContact O-N 3.09Å; E273-E275 VanDerWaalsContact C-N 3.34Å; E273-E275 PolarHBondContact O-N 3.25Å; E273-Y276 PolarHBondContact O-N 2.93Å; E273-Q277 WeakPolarHBondContact O-CB 3.42Å; E273-Q277 PolarHBondContact O-N 3.4Å
274E87Confident78.4Confident121 Ų121123.3 Ų123.357%0.56556%0.555SS**Hα-helixtrans-65.3-37.9177.1-158.5-175.6-155.700111.9E270 Q277 R278E270-E274 WeakPolarHBondContact O-CB 3.24Å; E270-E274 PolarHBondContact O-N 3.25Å; E274-Q277 PolarHBondContact O-N 3.3Å; E274-R278 WeakPolarHBondContact O-CB 3.18Å; E274-R278 PolarHBondContact O-N 3.07Å; E274-R278 IonicContact OE2-NH2 2.89Å
275E84.8Confident79.2Confident95 Ų95116.8 Ų116.844%0.44454%0.543SS..Hα-helixtrans-69-37.9174.5-165.6176-142.100112.1K267 E271 E273 A279K267-E275 IonicContact NZ-OE1 3.48Å; K267-E275 PolarHBondContact NZ-OE1 3.49Å; K267-E275 IonicContact NZ-OE2 3.7Å; K267-E275 PolarHBondContact NZ-OE2 3.37Å; E271-E275 WeakPolarHBondContact O-CB 3.49Å; E271-E275 PolarHBondContact O-N 2.75Å; E271-E275 VanDerWaalsContact O-N 3.09Å; E273-E275 VanDerWaalsContact C-N 3.34Å; E273-E275 PolarHBondContact O-N 3.25Å; E275-A279 VanDerWaalsContact O-CB 3.32Å; E275-A279 WeakPolarHBondContact O-CB 3.23Å; E275-A279 PolarHBondContact O-N 2.77Å
276Y89.3Confident79.7Confident158 Ų158116.2 Ų116.262%0.6255%0.548SS*.Hα-helixtrans-64.1-45.5173179.7-95.5000111.5R272 E273 A279 R280R272-Y276 WeakPolarHBondContact O-CB 3.48Å; R272-Y276 PolarHBondContact O-N 3.2Å; R272-Y276 VanDerWaalsContact O-N 3.09Å; E273-Y276 PolarHBondContact O-N 2.93Å; Y276-A279 PolarHBondContact O-N 2.87Å; Y276-R280 VanDerWaalsContact O-CB 3.24Å; Y276-R280 WeakPolarHBondContact O-CB 3.22Å; Y276-R280 PolarHBondContact O-N 3.47Å
277Q91.7Very high79.6Confident77 Ų77124 Ų12436%0.3658%0.583SS.*Hα-helixtrans-66.5-40.8178.8-166.763.636.900111.1E273 E274 A279 R280 D281E273-Q277 WeakPolarHBondContact O-CB 3.42Å; E273-Q277 PolarHBondContact O-N 3.4Å; E274-Q277 PolarHBondContact O-N 3.3Å; Q277-A279 PolarHBondContact O-N 3.45Å; Q277-R280 PolarHBondContact O-N 2.94Å; Q277-D281 PolarHBondContact NE2-OD1 3.46Å; Q277-D281 WeakPolarHBondContact O-CB 3.38Å; Q277-D281 PolarHBondContact O-N 3.47Å
278R88.8Confident80.7Confident160 Ų160126 Ų12660%0.60459%0.594SS**Hα-helixtrans-61.2-42.3173.8-173.1-177.8-61.9154.85.5112.2E274 R282E274-R278 WeakPolarHBondContact O-CB 3.18Å; E274-R278 PolarHBondContact O-N 3.07Å; E274-R278 IonicContact OE2-NH2 2.89Å; R278-R282 WeakPolarHBondContact O-CB 3.04Å; R278-R282 PolarHBondContact O-N 2.96Å; R278-R282 VanDerWaalsContact O-N 3.07Å
279A90.8Very high81.7Confident46 Ų46129.2 Ų129.238%0.3860%0.602SS.*Hα-helixtrans-67.5-40.6175.100000111.6E275 Y276 Q277 R282 I283E275-A279 VanDerWaalsContact O-CB 3.32Å; E275-A279 WeakPolarHBondContact O-CB 3.23Å; E275-A279 PolarHBondContact O-N 2.77Å; Y276-A279 PolarHBondContact O-N 2.87Å; Q277-A279 PolarHBondContact O-N 3.45Å; A279-R282 PolarHBondContact O-N 3.09Å; A279-I283 WeakPolarHBondContact O-CB 3.41Å; A279-I283 WeakPolarHBondContact O-CD1 3.21Å; A279-I283 VanDerWaalsContact O-CG1 3.22Å; A279-I283 WeakPolarHBondContact O-CG1 3.42Å; A279-I283 PolarHBondContact O-N 3.3Å
280R91.4Very high82.4Confident110 Ų110129.1 Ų129.142%0.41560%0.598SS.*Hα-helixtrans-63.8-47.7177.4-176-178.1172.5-83.70.5111.1Y276 Q277 R282 I283 F284Y276-R280 VanDerWaalsContact O-CB 3.24Å; Y276-R280 WeakPolarHBondContact O-CB 3.22Å; Y276-R280 PolarHBondContact O-N 3.47Å; Q277-R280 PolarHBondContact O-N 2.94Å; R280-R282 VanDerWaalsContact C-N 3.28Å; R280-R282 PolarHBondContact O-N 2.92Å; R280-I283 PolarHBondContact O-N 3.33Å; R280-I283 VanDerWaalsContact O-N 3.08Å; R280-F284 HydrophobicContact CB-CD2 4.44Å; R280-F284 HydrophobicContact CG-CD2 3.7Å; R280-F284 HydrophobicContact CG-CE2 4.39Å; R280-F284 HydrophobicContact CG-CG 4.5Å; R280-F284 WeakPolarHBondContact O-CB 3.48Å; R280-F284 WeakPolarHBondContact O-CD2 3.41Å; R280-F284 PolarHBondContact O-N 2.86Å
281D88.8Confident82.7Confident65 Ų65127.9 Ų127.935%0.34859%0.592SS.*Hα-helixtrans-65.3-35.9178.9-63.4-16000110.4Q277 I283 S285Q277-D281 PolarHBondContact NE2-OD1 3.46Å; Q277-D281 WeakPolarHBondContact O-CB 3.38Å; Q277-D281 PolarHBondContact O-N 3.47Å; D281-I283 VanDerWaalsContact C-N 3.32Å; D281-I283 PolarHBondContact O-N 3.48Å; D281-S285 WeakPolarHBondContact CA-OG 3.48Å; D281-S285 WeakPolarHBondContact O-CA 3.43Å; D281-S285 WeakPolarHBondContact O-CB 3.33Å; D281-S285 PolarHBondContact O-N 2.83Å; D281-S285 PolarHBondContact O-OG 3.07Å
282R85.9Confident82.9Confident224 Ų224129.8 Ų129.885%0.84560%0.601SS**Hα-helixtrans-62.8-35.1171.6-178.3179.8175.5-168.7-0.6113.6R278 A279 R280R278-R282 WeakPolarHBondContact O-CB 3.04Å; R278-R282 PolarHBondContact O-N 2.96Å; R278-R282 VanDerWaalsContact O-N 3.07Å; A279-R282 PolarHBondContact O-N 3.09Å; R280-R282 VanDerWaalsContact C-N 3.28Å; R280-R282 PolarHBondContact O-N 2.92Å
283I86.9Confident83Confident117 Ų117130.8 Ų130.860%0.661%0.612SS**Hα-helixtrans-90.1-33-175.1-66.6167.8000111.9A279 R280 D281A279-I283 WeakPolarHBondContact O-CB 3.41Å; A279-I283 WeakPolarHBondContact O-CD1 3.21Å; A279-I283 VanDerWaalsContact O-CG1 3.22Å; A279-I283 WeakPolarHBondContact O-CG1 3.42Å; A279-I283 PolarHBondContact O-N 3.3Å; R280-I283 PolarHBondContact O-N 3.33Å; R280-I283 VanDerWaalsContact O-N 3.08Å; D281-I283 VanDerWaalsContact C-N 3.32Å; D281-I283 PolarHBondContact O-N 3.48Å
284F82.9Confident82.8Confident148 Ų148130.6 Ų130.665%0.64961%0.611SS**Hα-helixtrans-118.7-9.1-167.9-64.2-79.1000114.3R280 Q286R280-F284 HydrophobicContact CB-CD2 4.44Å; R280-F284 HydrophobicContact CG-CD2 3.7Å; R280-F284 HydrophobicContact CG-CE2 4.39Å; R280-F284 HydrophobicContact CG-CG 4.5Å; R280-F284 WeakPolarHBondContact O-CB 3.48Å; R280-F284 WeakPolarHBondContact O-CD2 3.41Å; R280-F284 PolarHBondContact O-N 2.86Å; F284-Q286 PolarHBondContact O-N 3.09Å
285S68.2Low82.4Confident79 Ų79131.4 Ų131.455%0.55261%0.614SS**  trans-94.180170.5-49.70000109.6D281D281-S285 WeakPolarHBondContact CA-OG 3.48Å; D281-S285 WeakPolarHBondContact O-CA 3.43Å; D281-S285 WeakPolarHBondContact O-CB 3.33Å; D281-S285 PolarHBondContact O-N 2.83Å; D281-S285 PolarHBondContact O-OG 3.07Å
286Q66.6Low82.2Confident183 Ų183134.4 Ų134.486%0.85563%0.629SS**  trans-108.4136.3152.7-79.4-178-27.800106.7F284F284-Q286 PolarHBondContact O-N 3.09Å
287D55.8Low81.6Confident246 Ų246132.3 Ų132.3100%1.31663%0.629SS**  trans-39.30-176-70.2-59.1000116

Retrieved 287 of 287 residues in 920.1 ms (Link to these results)