A0A087WRG2_MOUSE Loading...

U2 snRNP-associated SURP domain containing

AlphaFold DB , UniProt , Accession A0A087WRG2, Species MOUSE (Mus musculus, Mouse), Gene U2surp, Length 425 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
1M37.1Very low40.9Very low243 Ų243140.5 Ų140.5100%1.19783%0.831SS**  0131.10-85.3147.6163.300107.3
2A40.3Very low40.6Very low106 Ų106136.7 Ų136.788%0.87683%0.827SS**  trans-67.3132-163.900000113.6
3D41Very low40.1Very low130 Ų130134.6 Ų134.670%0.69582%0.822SS**  trans-86.6116.2166.1-96.5-63.1000108.5
4K44.3Very low39.9Very low170 Ų170131.5 Ų131.574%0.73981%0.809SS**  86.999.694.6-84.3-172.2-167.1162.60114.9
5T47.4Very low40Very low125 Ų125134.9 Ų134.977%0.76781%0.808SS**  52.8162.3115.415.50000121.7
6P59.6Low39.5Very low120 Ų120134.6 Ų134.678%0.77980%0.801SS**  -131.6-164.2-10544.3-25.2000113.1
7G34.2Very low39.4Very low80 Ų80140 Ų14083%0.82580%0.804SS**  trans103.2137.6165.800000112.1
8G33.9Very low39.2Very low75 Ų75138.7 Ų138.777%0.77381%0.805SS**  cis140.1138.416.600000107.2
9S35.8Very low39.2Very low102 Ų102136.7 Ų136.771%0.71380%0.799SS**  trans80114.7160.5-85.90000122.6
10Q36.3Very low39.2Very low185 Ų185136.9 Ų136.986%0.86480%0.797SS**  82.1132.4113.9-66.5-178.2600122.9
11K40.3Very low39.4Very low209 Ų209137.1 Ų137.191%0.90980%0.8SS**  trans-34.8142.4161.6-72.7172.8168-177.40116.8
12A36.8Very low39.6Very low95 Ų95133.6 Ų133.679%0.78578%0.78SS**  178.5120.5127.200000107.6
13S34.1Very low39.3Very low110 Ų110134.1 Ų134.177%0.76978%0.778SS**  79.9121.977.8-151.60000114.8
14S37.4Very low39.2Very low91 Ų91133.5 Ų133.564%0.63678%0.784SS**  trans100.6136.6135.9-62.90000122
15K42.1Very low38.7Very low183 Ų183129.5 Ų129.580%0.79679%0.79SS**  trans81148.1139.7-81.1165.1-179.5175.80117
16N32Very low38.3Very low130 Ų130129.1 Ų129.170%0.69579%0.793SS**  cis174.7164.2-13.4-117.112.9000106.5
17R36.7Very low37.4Very low226 Ų226128.7 Ų128.785%0.85379%0.793SS**  trans77.7125.2155.9-70.8164.9176.4-154.9-2.9117.3
18S36.4Very low37.7Very low117 Ų117132 Ų13282%0.81879%0.792SS**  cis8512146.8-75.60000114.8
19S39.7Very low38.1Very low100 Ų100133.5 Ų133.570%0.69980%0.796SS**  trans146.1110.5134.564.10000109.8
20D39.1Very low38.6Very low140 Ų140136.4 Ų136.475%0.74980%0.798SS**  100.1130.281.6-83-58.9000111.5
21V42.7Very low39.5Very low143 Ų143136.6 Ų136.687%0.86780%0.801SS**  -170.7132123.7-179.40000109.1
22H40.7Very low39.5Very low168 Ų168133.7 Ų133.778%0.77880%0.796SS**  trans-104.7154.5173.3-84.963.8000112
23S34.9Very low39.6Very low118 Ų118133.2 Ų133.283%0.82579%0.792SS**  trans148.9145.3143.8-73.70000110.1
24S39.1Very low39.7Very low117 Ų117133.9 Ų133.982%0.81880%0.797SS**  cis177.8145.7-8.748.70000106.5
25G33Very low39.7Very low85 Ų85133 Ų13388%0.87680%0.801SS**  trans168.497.3168.800000116.2
26S38.6Very low40.4Very low117 Ų117130.1 Ų130.182%0.81880%0.802SS**  trans-69.4157.2171-149.10000111.2
27S41.9Very low40.8Very low112 Ų112128.7 Ų128.778%0.78380%0.802SS**  -174.6145.967.749.70000114.8
28D39.9Very low40.9Very low150 Ų150125.5 Ų125.580%0.80280%0.802SS**  trans-45.1153.6160.3-101.8-86.4000117.5
29A42.8Very low41Very low105 Ų105124.8 Ų124.887%0.86880%0.797SS**  trans-165.3116.6134.500000112.4
30H46.7Very low40.8Very low163 Ų163127.6 Ų127.676%0.75580%0.804SS**  trans-98.9141.3169.1-157.4-17.3000108.2
31M53.8Low40.8Very low189 Ų189128.6 Ų128.693%0.93181%0.806SS**  trans-143.8133.3157.2-87.7-130.7165.200112.2
32D40.3Very low41.1Very low148 Ų148127.3 Ų127.379%0.79180%0.801SS**  trans-66.1157.9174.8-77.6-71000114.7
33A39.2Very low41.2Very low85 Ų85123.8 Ų123.870%0.70280%0.795SS**  153.7121109.500000114.9
34S37.7Very low41.4Very low125 Ų125129.9 Ų129.987%0.87480%0.8SS**  69121.8128.5-50.50000122.7
35G36.8Very low41.7Very low71 Ų71131 Ų13173%0.73280%0.802SS**  trans-78.5-173164.700000114.4
36P55.8Low42Very low123 Ų123138.6 Ų138.680%0.79980%0.804SS**  -153.1158.38641-22000119
37S40.5Very low42.3Very low101 Ų101138.6 Ų138.671%0.70680%0.802SS**  trans47.6119.8138.166.30000126.1
38D39.3Very low42.2Very low158 Ų158143.3 Ų143.385%0.84581%0.808SS**  60.6145.9121-89.6-52.7000126.9
39S38.6Very low42.3Very low102 Ų102141.7 Ų141.771%0.71381%0.808SS**  trans77.3126.9169.964.20000117.3
40D35.8Very low42.4Very low159 Ų159142.7 Ų142.785%0.8581%0.806SS**  cis-158.3155.729.2-93.6-54.9000113.2
41M39.6Very low41.8Very low162 Ų162146.7 Ų146.780%0.79882%0.815SS**  trans-63.3172.7170-99.8-96.9165.100113.2
42P48Very low41Very low115 Ų115147.5 Ų147.575%0.74781%0.813SS**  cis-145.9164.532.636.7-12.8000120.2
43S42.6Very low40.8Very low94 Ų94148.8 Ų148.866%0.65781%0.814SS**  trans-42131.1162.850.10000116.6
44R39.1Very low40.8Very low247 Ų247152.2 Ų152.293%0.93282%0.82SS**  trans-132.5102.4156-92.9-175.8175.4-155.2-0.7111.5
45T44.8Very low40.4Very low141 Ų141156.7 Ų156.787%0.86582%0.82SS**PPolyproline II helixtrans-61.1136.3159.4450000109.8
46R39.9Very low40.2Very low243 Ų243163.8 Ų163.892%0.91782%0.824SS**PPolyproline II helixtrans-103.4135.6173.5-166.5171.1-176.5-127.11.3109.9
47P44.2Very low39Very low118 Ų118165.3 Ų165.377%0.76683%0.826SS**PPolyproline II helixtrans-92.8156.1-154.135.3-34.5000114.8
48K40.6Very low38.7Very low210 Ų210168.8 Ų168.891%0.91383%0.831SS**PPolyproline II helixtrans-74.6143170.4-70.2178.1174.6176.10111.3
49S41.9Very low38.4Very low116 Ų116166.4 Ų166.481%0.81183%0.827SS**PPolyproline II helixtrans-62.2147.6175.5-41.80000112.7
50P44.8Very low38.1Very low127 Ų127166.9 Ų166.983%0.82583%0.83SS**PPolyproline II helixtrans-86.9127.4-174.819.6-8.3000113.3
51R35.4Very low38Very low247 Ų247171.3 Ų171.393%0.93284%0.835SS**PPolyproline II helixtrans-73.6126.2162-121.8175.3173.5176.8-3108.5
52K35.3Very low37.7Very low205 Ų205172.8 Ų172.889%0.89184%0.839SS**PPolyproline II helixtrans-78.7119.6169.1-68.6-177.6177.7-178.70109
53H37.4Very low36.9Very low175 Ų175172.4 Ų172.481%0.8184%0.84SS**  trans-125.3123.3164.4-139.4-71.7000107.6
54N38Very low36.5Very low158 Ų158176 Ų17685%0.84585%0.851SS**PPolyproline II helixtrans-70.2136.6-179.3-83.1-31.1000110.9
55Y30.8Very low35.9Very low219 Ų219169.7 Ų169.786%0.85984%0.843SS**PPolyproline II helixtrans-74.4132178-116.1-101000111.1
56R31.6Very low35.2Very low219 Ų219170.6 Ų170.683%0.82684%0.843SS**PPolyproline II helixtrans-73.6125.4161.8178.1178-174.7174.80.5107.6
57N30.7Very low34.8Very low155 Ų155163.9 Ų163.983%0.82983%0.833SS**  trans-113.2124.9169.4-109.516.3000108.5
58E33.8Very low35.2Very low174 Ų174163.3 Ų163.381%0.81383%0.829SS**  trans-137.1153.4166.6-93.2-113.7112.300108.6
59S33Very low34.8Very low109 Ų109161.5 Ų161.576%0.76282%0.824SS**  trans90.8103.3169.4-154.60000117.4
60S32.6Very low34.5Very low111 Ų111165.2 Ų165.278%0.77683%0.828SS**  179.2117.8110.9-74.60000110.1
61R34.3Very low33.9Very low253 Ų253165.9 Ų165.996%0.95583%0.825SS**  trans-163.3108.2146.8-114.2174.5-179.8-157.3-2.3110.9
62E33.2Very low33.9Very low192 Ų192161.9 Ų161.990%0.89782%0.821SS**  trans-74.9162.6164.8-77178.6121.500112
63S30.2Very low34Very low107 Ų107157 Ų15775%0.74881%0.812SS**  trans-63.5148.9-176.751.50000117.3
64L34.2Very low34.2Very low170 Ų170159.3 Ų159.389%0.8981%0.814SS**  trans-163.9157.2132.2-143.763.1000112.4
65C27.7Very low34.6Very low114 Ų114157.9 Ų157.977%0.7781%0.813SS**  trans-94.3167.7-157.4-32.90000114.8
66D29.9Very low35.5Very low161 Ų161152.5 Ų152.586%0.86180%0.799SS**  trans125.4138.9135.9-142.910.7000118.2
67S32Very low36.6Very low101 Ų101149.8 Ų149.871%0.70680%0.8SS**  trans-99.6-166-175.2-56.20000111.2
68P51Low37.4Very low107 Ų107150.8 Ų150.870%0.69580%0.8SS**  cis-137172.2-14.821.94.2000116.9
69H32Very low38.2Very low171 Ų171150.5 Ų150.579%0.79280%0.804SS**  trans47.3127.9148-70.8-66.8000123.8
70Q35.6Very low38.9Very low194 Ų194153.4 Ų153.491%0.90780%0.803SS**  -175.5155.6105.6-95.1-168.658.600114.8
71N32.9Very low39.9Very low142 Ų142155.9 Ų155.976%0.75981%0.807SS**  trans-84.4153.3-165.4-79.1-84.4000115.5
72L35.8Very low40.8Very low163 Ų163154 Ų15485%0.85381%0.805SS**  -166.4123.1128.4-137.363.4000115.4
73S37.1Very low41.7Very low101 Ų101148.1 Ų148.171%0.70679%0.789SS**  trans46.3101.8145.262.20000124.3
74R42.1Very low42.6Very low224 Ų224152.5 Ų152.585%0.84580%0.795SS**  trans13.5151131.1-79.8-173.1-173.5-1724.4121.3
75P46.8Very low43.3Very low128 Ų128150.4 Ų150.483%0.83180%0.795SS**  cis-135.9154.347.235.1-15000119
76L48.8Very low44.2Very low106 Ų106153.5 Ų153.556%0.55580%0.802SS**  trans-75.5152.5166.4-75155.2000110.7
77L54.8Low44.7Very low162 Ų162148.8 Ų148.885%0.84879%0.792SS**  trans157.3102136.9-82.7153.6000106.6
78E47.5Very low45.2Very low176 Ų176153.7 Ų153.782%0.82280%0.8SS**SBend-157.9-1.392.7-94170.2147.300113.9K80E78-K80 PolarHBondContact O-N 3.22Å
79N51.2Low44.7Very low168 Ų168156.9 Ų156.990%0.89881%0.808SS**THydrogen-bonded Turntrans-87.118.2-169.5-92.4-3000116.5
80K48.2Very low45.4Very low170 Ų170153.8 Ų153.874%0.73981%0.806SS**THydrogen-bonded Turntrans-124.615.7-178.3-81.4-172.7176.2-178.20116.3E78E78-K80 PolarHBondContact O-N 3.22Å
81L52.7Low45.6Very low164 Ų164151 Ų15186%0.85980%0.802SS**SBendtrans-96.35.7170.8-87.1153000114.6
82K52.7Low46.2Very low213 Ų213148.8 Ų148.893%0.92680%0.803SS**SBendtrans-116.124.8177.1-74.5-175.6-180175.80114.6
83A51.8Low47Very low68 Ų68151 Ų15156%0.56281%0.806SS**SBendtrans-12815.7-177.100000115.4
84F49.5Very low47.9Very low200 Ų200157.6 Ų157.688%0.87782%0.815SS**  trans-13780.2171.4-80.7-79.5000111.2
85S49.5Very low48.7Very low126 Ų126152.9 Ų152.988%0.88181%0.811SS**  trans-152.255.3156.5-560000108.9
86I47.1Very low49.2Very low178 Ų178151 Ų15191%0.91379%0.794SS**  trans-92.3110.8164.2-81.1158.8000106.8
87G39.9Very low50.1Low63 Ų63149.6 Ų149.665%0.64979%0.793SS**  trans171.484.2170.900000115.2
88K43.3Very low50.8Low203 Ų203150 Ų15088%0.88379%0.788SS**  trans109.8117.1138.3-59.8172.1-179.6178.20118.1
89M39.7Very low52Low175 Ų175149.1 Ų149.186%0.86278%0.781SS**  trans97.3122145.6-49.7-123.9-59.500119.2
90S46.4Very low53.2Low106 Ų106145.7 Ų145.774%0.74176%0.76SS**  trans-10.4125.7163.460.40000118.6
91T39.6Very low54.4Low136 Ų136143.1 Ų143.183%0.83475%0.75SS**  -149.1125.3129.850.90000108.6K93T91-K93 PolarHBondContact O-N 3.49Å
92A46.2Very low55.6Low94 Ų94141.8 Ų141.878%0.77774%0.74SS**  trans-48.9138.1169.400000110.4R94A92-R94 PolarHBondContact O-N 3.21Å
93K52Low57.2Low210 Ų210137.9 Ų137.991%0.91373%0.725SS**  trans-57.8100.8169.6-70.6176.4179.6177.70107.9T91 T95T91-K93 PolarHBondContact O-N 3.49Å; K93-T95 PolarHBondContact O-N 3.22Å
94R57.2Low58.5Low240 Ų240139.3 Ų139.391%0.90672%0.723SS**  trans-70.4107.6171-140.5178.5-159.8141.92.3105.9A92 L96A92-R94 PolarHBondContact O-N 3.21Å; R94-L96 PolarHBondContact O-N 3.37Å
95T57.3Low60.3Low124 Ų124136 Ų13676%0.76171%0.708SS**PPolyproline II helixtrans-55.3128.2160.4440000106.9K93 S97K93-T95 PolarHBondContact O-N 3.22Å; T95-S97 PolarHBondContact O-N 3.04Å
96L57.9Low62.3Low89 Ų89137 Ų13747%0.46670%0.696SS.*PPolyproline II helixtrans-48.9130.3177.5-66.7162.1000108.2R94 E100 Q101R94-L96 PolarHBondContact O-N 3.37Å; L96-E100 HydrophobicContact CD2-CG 4.37Å; L96-E100 WeakPolarHBondContact CD2-OE1 3.43Å; L96-E100 WeakPolarHBondContact CD2-OE2 3.37Å; L96-Q101 HydrophobicContact CB-CG 4.47Å
97S67.9Low64.5Low76 Ų76135.8 Ų135.853%0.53168%0.684SS.*PPolyproline II helixtrans-57.3145.2-175.11780000109.5T95 K99 E100 Q101T95-S97 PolarHBondContact O-N 3.04Å; S97-K99 PolarHBondContact O-N 3.37Å; S97-E100 WeakPolarHBondContact O-CB 3.34Å; S97-E100 PolarHBondContact O-N 3.44Å; S97-Q101 PolarHBondContact O-N 3.27Å
98K70Confident66.9Low171 Ų171139.4 Ų139.474%0.74368%0.684SS**Hα-helixtrans-46.7-30.7176.9-177.1176.1176.6178.50113E102K98-E102 PolarHBondContact O-N 3.07Å
99K71.5Confident69.1Low158 Ų158134.2 Ų134.269%0.68767%0.666SS**Hα-helixtrans-67.2-37.6176-171.8176.3178.5-175.50113.6S97 E103S97-K99 PolarHBondContact O-N 3.37Å; K99-E103 PolarHBondContact O-N 3.04Å; K99-E103 VanDerWaalsContact O-N 3.15Å
100E77.8Confident71.5Confident96 Ų96132.2 Ų132.245%0.44966%0.655SS.*Hα-helixtrans-77.1-33.3-179.3-165.6171.6-175.500111.4L96 S97 E103 L104L96-E100 HydrophobicContact CD2-CG 4.37Å; L96-E100 WeakPolarHBondContact CD2-OE1 3.43Å; L96-E100 WeakPolarHBondContact CD2-OE2 3.37Å; S97-E100 WeakPolarHBondContact O-CB 3.34Å; S97-E100 PolarHBondContact O-N 3.44Å; E100-E103 PolarHBondContact O-N 3.04Å; E100-L104 WeakPolarHBondContact O-CB 3.49Å; E100-L104 VanDerWaalsContact O-CG 3.32Å; E100-L104 WeakPolarHBondContact O-CG 3.48Å; E100-L104 PolarHBondContact O-N 3.16Å
101Q72.1Confident73.6Confident115 Ų115133.5 Ų133.554%0.53765%0.647SS.*Hα-helixtrans-67.3-37.9172.1-68.9-179.2-6.600112.5L96 S97 K105L96-Q101 HydrophobicContact CB-CG 4.47Å; S97-Q101 PolarHBondContact O-N 3.27Å; Q101-K105 WeakPolarHBondContact O-CB 3.26Å; Q101-K105 PolarHBondContact O-N 2.95Å
102E78.2Confident76.2Confident136 Ų136129.1 Ų129.164%0.63662%0.624SS**Hα-helixtrans-69.4-36.3176.3-169.6175.3177.700111.7K98 K105 K106K98-E102 PolarHBondContact O-N 3.07Å; E102-K105 PolarHBondContact O-N 3.22Å; E102-K106 WeakPolarHBondContact O-CB 3.48Å; E102-K106 PolarHBondContact O-N 3.36Å
103E86.3Confident78.3Confident132 Ų132127.4 Ų127.462%0.61761%0.61SS**Hα-helixtrans-69.9-38.8176.5-165.6169178.200112.2K99 E100 K107K99-E103 PolarHBondContact O-N 3.04Å; K99-E103 VanDerWaalsContact O-N 3.15Å; E100-E103 PolarHBondContact O-N 3.04Å; E103-K107 VanDerWaalsContact O-CB 3.29Å; E103-K107 WeakPolarHBondContact O-CB 3.47Å; E103-K107 PolarHBondContact O-N 3.46Å
104L79.9Confident80.3Confident98 Ų98120 Ų12051%0.51359%0.588SS.*Hα-helixtrans-65-44172.2-73.8169.7000111.9E100 K107 E108E100-L104 WeakPolarHBondContact O-CB 3.49Å; E100-L104 VanDerWaalsContact O-CG 3.32Å; E100-L104 WeakPolarHBondContact O-CG 3.48Å; E100-L104 PolarHBondContact O-N 3.16Å; L104-K107 PolarHBondContact O-N 2.96Å; L104-E108 WeakPolarHBondContact O-CB 3.41Å; L104-E108 PolarHBondContact O-N 3.32Å
105K87.3Confident82Confident131 Ų131113.4 Ų113.457%0.5757%0.568SS**Hα-helixtrans-64.6-42.9176.7-173.6177.6177.9-176.60111.7Q101 E102 K107 E108 D109Q101-K105 WeakPolarHBondContact O-CB 3.26Å; Q101-K105 PolarHBondContact O-N 2.95Å; E102-K105 PolarHBondContact O-N 3.22Å; K105-K107 VanDerWaalsContact C-N 3.31Å; K105-K107 PolarHBondContact O-N 3.2Å; K105-E108 PolarHBondContact O-N 3.41Å; K105-D109 VanDerWaalsContact O-CG 3.3Å; K105-D109 PolarHBondContact O-N 3.1Å
106K91.8Very high83.7Confident145 Ų145112.9 Ų112.963%0.6356%0.559SS**Hα-helixtrans-61.7-40.6176.1-176.1-178.1176.3-1700111.7E102 E108 D109 E110E102-K106 WeakPolarHBondContact O-CB 3.48Å; E102-K106 PolarHBondContact O-N 3.36Å; K106-E108 VanDerWaalsContact C-N 3.35Å; K106-D109 PolarHBondContact O-N 3.15Å; K106-E110 WeakPolarHBondContact O-CB 3.48Å; K106-E110 PolarHBondContact O-N 3.24Å
107K92.8Very high85.4Confident153 Ų153115.6 Ų115.667%0.66556%0.564SS**Hα-helixtrans-67.8-35.4177.4-172.3175.4-176.8177.10112.2E103 L104 K105 K111E103-K107 VanDerWaalsContact O-CB 3.29Å; E103-K107 WeakPolarHBondContact O-CB 3.47Å; E103-K107 PolarHBondContact O-N 3.46Å; L104-K107 PolarHBondContact O-N 2.96Å; K105-K107 VanDerWaalsContact C-N 3.31Å; K105-K107 PolarHBondContact O-N 3.2Å; K107-K111 WeakPolarHBondContact O-CB 3.33Å; K107-K111 PolarHBondContact O-N 3.17Å
108E89.6Confident86.4Confident139 Ų139118.4 Ų118.465%0.6557%0.569SS**Hα-helixtrans-68.7-45.7174.6-170.2176.7-177.600111.5L104 K105 K106 E110 K111 A112L104-E108 WeakPolarHBondContact O-CB 3.41Å; L104-E108 PolarHBondContact O-N 3.32Å; K105-E108 PolarHBondContact O-N 3.41Å; K106-E108 VanDerWaalsContact C-N 3.35Å; E108-E110 VanDerWaalsContact C-N 3.34Å; E108-E110 PolarHBondContact O-N 2.83Å; E108-K111 PolarHBondContact O-N 3.3Å; E108-A112 WeakPolarHBondContact O-CB 3.42Å; E108-A112 PolarHBondContact O-N 3Å
109D89.4Confident87.4Confident95 Ų95117.2 Ų117.251%0.50857%0.566SS.*Hα-helixtrans-62-40.3176.6-69.2-23.4000111.6K105 K106 A112 A113K105-D109 VanDerWaalsContact O-CG 3.3Å; K105-D109 PolarHBondContact O-N 3.1Å; K106-D109 PolarHBondContact O-N 3.15Å; D109-A112 PolarHBondContact O-N 2.94Å; D109-A113 WeakPolarHBondContact O-CB 3.42Å; D109-A113 PolarHBondContact O-N 2.7Å
110E89.4Confident88.5Confident133 Ų133115.1 Ų115.162%0.62156%0.557SS**Hα-helixtrans-66.2-40.1175.7-176.8173-174.200111.9K106 E108 A113 A114K106-E110 WeakPolarHBondContact O-CB 3.48Å; K106-E110 PolarHBondContact O-N 3.24Å; E108-E110 VanDerWaalsContact C-N 3.34Å; E108-E110 PolarHBondContact O-N 2.83Å; E110-A113 PolarHBondContact O-N 3.34Å; E110-A114 WeakPolarHBondContact O-CB 3.09Å; E110-A114 PolarHBondContact O-N 3Å
111K92.4Very high89Confident133 Ų133113.9 Ų113.958%0.57855%0.553SS**Hα-helixtrans-67.3-42.9176.2-169.5-176177.6-151.50111.6K107 E108 A113 A114 E115K107-K111 WeakPolarHBondContact O-CB 3.33Å; K107-K111 PolarHBondContact O-N 3.17Å; E108-K111 PolarHBondContact O-N 3.3Å; K111-A113 VanDerWaalsContact C-N 3.32Å; K111-A113 PolarHBondContact O-N 3.44Å; K111-A114 PolarHBondContact O-N 2.8Å; K111-E115 WeakPolarHBondContact CE-OE1 3.48Å; K111-E115 IonicContact NZ-OE1 3.14Å; K111-E115 PolarHBondContact NZ-OE1 3.35Å; K111-E115 WeakPolarHBondContact O-CG 3.43Å; K111-E115 PolarHBondContact O-N 2.83Å
112A92.4Very high89.6Confident43 Ų43111 Ų11136%0.35555%0.55SS..Hα-helixtrans-62.7-40.4175.600000111.5E108 D109 A114 E115 I116E108-A112 WeakPolarHBondContact O-CB 3.42Å; E108-A112 PolarHBondContact O-N 3Å; D109-A112 PolarHBondContact O-N 2.94Å; A112-A114 VanDerWaalsContact C-N 3.34Å; A112-A114 PolarHBondContact O-N 2.66Å; A112-E115 PolarHBondContact O-N 2.95Å; A112-I116 WeakPolarHBondContact O-CD1 3.34Å; A112-I116 VanDerWaalsContact O-CG1 3.24Å; A112-I116 WeakPolarHBondContact O-CG1 3.29Å; A112-I116 PolarHBondContact O-N 2.62Å
113A92.2Very high89.9Confident58 Ų58108.3 Ų108.348%0.47955%0.55SS.*Hα-helixtrans-64.3-38.3174.400000112.4D109 E110 K111 Y117D109-A113 WeakPolarHBondContact O-CB 3.42Å; D109-A113 PolarHBondContact O-N 2.7Å; E110-A113 PolarHBondContact O-N 3.34Å; K111-A113 VanDerWaalsContact C-N 3.32Å; K111-A113 PolarHBondContact O-N 3.44Å; A113-Y117 WeakPolarHBondContact O-CB 3.46Å; A113-Y117 PolarHBondContact O-N 2.9Å
114A92.4Very high89.5Confident55 Ų55109.2 Ų109.246%0.45555%0.552SS.*Hα-helixtrans-66.2-41.8175.100000112.1E110 K111 A112 Y117 E118E110-A114 WeakPolarHBondContact O-CB 3.09Å; E110-A114 PolarHBondContact O-N 3Å; K111-A114 PolarHBondContact O-N 2.8Å; A112-A114 VanDerWaalsContact C-N 3.34Å; A112-A114 PolarHBondContact O-N 2.66Å; A114-Y117 PolarHBondContact O-N 2.94Å; A114-E118 WeakPolarHBondContact O-CB 3.04Å; A114-E118 PolarHBondContact O-N 3.13Å
115E92.5Very high89.3Confident102 Ų102111.8 Ų111.848%0.47756%0.562SS.*Hα-helixtrans-63.8-41.8175.7-73.7175-170.300111.4K111 A112 Y117 E118 E119K111-E115 WeakPolarHBondContact CE-OE1 3.48Å; K111-E115 IonicContact NZ-OE1 3.14Å; K111-E115 PolarHBondContact NZ-OE1 3.35Å; K111-E115 WeakPolarHBondContact O-CG 3.43Å; K111-E115 PolarHBondContact O-N 2.83Å; A112-E115 PolarHBondContact O-N 2.95Å; E115-Y117 VanDerWaalsContact C-N 3.34Å; E115-Y117 PolarHBondContact O-N 2.98Å; E115-E118 PolarHBondContact O-N 2.73Å; E115-E119 WeakPolarHBondContact O-CB 3.45Å; E115-E119 PolarHBondContact O-N 3.28Å
116I94.9Very high87.9Confident113 Ų113109 Ų10958%0.57957%0.57SS**Hα-helixtrans-65-38.9174.6-66.5163.9000111.2A112 E119 F120A112-I116 WeakPolarHBondContact O-CD1 3.34Å; A112-I116 VanDerWaalsContact O-CG1 3.24Å; A112-I116 WeakPolarHBondContact O-CG1 3.29Å; A112-I116 PolarHBondContact O-N 2.62Å; I116-E119 PolarHBondContact O-N 2.92Å; I116-F120 VanDerWaalsContact O-CB 3.31Å; I116-F120 WeakPolarHBondContact O-CB 3.46Å; I116-F120 PolarHBondContact O-N 3.37Å
117Y92.1Very high86.2Confident146 Ų146105.9 Ų105.957%0.57357%0.566SS**Hα-helixtrans-68.9-36.8177.3-178.7-103.8000111.9A113 A114 E115 F120 L121A113-Y117 WeakPolarHBondContact O-CB 3.46Å; A113-Y117 PolarHBondContact O-N 2.9Å; A114-Y117 PolarHBondContact O-N 2.94Å; E115-Y117 VanDerWaalsContact C-N 3.34Å; E115-Y117 PolarHBondContact O-N 2.98Å; Y117-F120 WeakPolarHBondContact O-CB 3.32Å; Y117-F120 PolarHBondContact O-N 3.45Å; Y117-L121 HydrophobicContact CD1-CD1 3.97Å; Y117-L121 HydrophobicContact CD1-CG 4.41Å; Y117-L121 HydrophobicContact CE1-CD1 3.34Å; Y117-L121 HydrophobicContact CE1-CG 3.98Å; Y117-L121 HydrophobicContact CE2-CG 4.44Å; Y117-L121 WeakPolarHBondContact O-CG 3.48Å; Y117-L121 PolarHBondContact O-N 3.24Å
118E89.8Confident84.7Confident135 Ų135106.6 Ų106.663%0.63158%0.578SS**Hα-helixtrans-65.3-45.2172.8-173.2178.5-179.500111.1A114 E115 F120 L121 A122A114-E118 WeakPolarHBondContact O-CB 3.04Å; A114-E118 PolarHBondContact O-N 3.13Å; E115-E118 PolarHBondContact O-N 2.73Å; E118-F120 VanDerWaalsContact C-N 3.28Å; E118-F120 PolarHBondContact O-N 3.08Å; E118-L121 PolarHBondContact O-N 3.1Å; E118-A122 WeakPolarHBondContact O-CB 3.27Å; E118-A122 PolarHBondContact O-N 3.45Å
119E90.1Very high83.3Confident145 Ų145103.5 Ų103.568%0.67858%0.583SS**Hα-helixtrans-59.6-40.5173.1-174179.4-178.800111.4E115 I116 A122 A123E115-E119 WeakPolarHBondContact O-CB 3.45Å; E115-E119 PolarHBondContact O-N 3.28Å; I116-E119 PolarHBondContact O-N 2.92Å; E119-A122 PolarHBondContact O-N 2.95Å; E119-A123 WeakPolarHBondContact O-CB 3.3Å; E119-A123 PolarHBondContact O-N 3.33Å
120F94.3Very high81.2Confident115 Ų115104.9 Ų104.950%0.50459%0.59SS.*Hα-helixtrans-62.7-45.2175.1177.2-93.8000111.9I116 Y117 E118 A123 F124I116-F120 VanDerWaalsContact O-CB 3.31Å; I116-F120 WeakPolarHBondContact O-CB 3.46Å; I116-F120 PolarHBondContact O-N 3.37Å; Y117-F120 WeakPolarHBondContact O-CB 3.32Å; Y117-F120 PolarHBondContact O-N 3.45Å; E118-F120 VanDerWaalsContact C-N 3.28Å; E118-F120 PolarHBondContact O-N 3.08Å; F120-A123 PolarHBondContact O-N 3.48Å; F120-F124 HydrophobicContact CD2-CE2 4.35Å; F120-F124 HydrophobicContact CE1-CD2 4.39Å; F120-F124 HydrophobicContact CE1-CE2 4.2Å; F120-F124 AromaticContact CE2-CE2 3.72Å; F120-F124 HydrophobicContact CE2-CE2 3.72Å; F120-F124 HydrophobicContact CZ-CD2 4.27Å; F120-F124 AromaticContact CZ-CE2 3.64Å; F120-F124 HydrophobicContact CZ-CE2 3.64Å; F120-F124 HydrophobicContact CZ-CZ 4.38Å; F120-F124 WeakPolarHBondContact O-CD2 3.49Å
121L88.8Confident79.7Confident69 Ų69108.2 Ų108.236%0.36160%0.602SS.*Hα-helixtrans-67.9-41.5177.6-72.6-179.1000112.1Y117 E118 A123 F124 E125Y117-L121 HydrophobicContact CD1-CD1 3.97Å; Y117-L121 HydrophobicContact CD1-CG 4.41Å; Y117-L121 HydrophobicContact CE1-CD1 3.34Å; Y117-L121 HydrophobicContact CE1-CG 3.98Å; Y117-L121 HydrophobicContact CE2-CG 4.44Å; Y117-L121 WeakPolarHBondContact O-CG 3.48Å; Y117-L121 PolarHBondContact O-N 3.24Å; E118-L121 PolarHBondContact O-N 3.1Å; L121-A123 PolarHBondContact O-N 3.19Å; L121-F124 PolarHBondContact O-N 3.29Å; L121-E125 PolarHBondContact O-N 3.16Å
122A85.5Confident77.6Confident56 Ų56107.1 Ų107.146%0.46361%0.607SS.*Hα-helixtrans-61.3-33.3176.400000112.3E118 E119 F124 E125 G126E118-A122 WeakPolarHBondContact O-CB 3.27Å; E118-A122 PolarHBondContact O-N 3.45Å; E119-A122 PolarHBondContact O-N 2.95Å; A122-F124 PolarHBondContact O-N 3.24Å; A122-E125 PolarHBondContact O-N 3.36Å; A122-G126 PolarHBondContact O-N 2.84Å
123A83.5Confident76.2Confident78 Ų78114.9 Ų114.965%0.64563%0.633SS**Hα-helixtrans-64.5-23.9175.200000113.5E119 F120 L121E119-A123 WeakPolarHBondContact O-CB 3.3Å; E119-A123 PolarHBondContact O-N 3.33Å; F120-A123 PolarHBondContact O-N 3.48Å; L121-A123 PolarHBondContact O-N 3.19Å
124F79.3Confident74.7Confident152 Ų152116.9 Ų116.967%0.66764%0.639SS**Hα-helixtrans-95.3-29.6175.7-78.7-92.5000113.1F120 L121 A122F120-F124 HydrophobicContact CD2-CE2 4.35Å; F120-F124 HydrophobicContact CE1-CD2 4.39Å; F120-F124 HydrophobicContact CE1-CE2 4.2Å; F120-F124 AromaticContact CE2-CE2 3.72Å; F120-F124 HydrophobicContact CE2-CE2 3.72Å; F120-F124 HydrophobicContact CZ-CD2 4.27Å; F120-F124 AromaticContact CZ-CE2 3.64Å; F120-F124 HydrophobicContact CZ-CE2 3.64Å; F120-F124 HydrophobicContact CZ-CZ 4.38Å; F120-F124 WeakPolarHBondContact O-CD2 3.49Å; L121-F124 PolarHBondContact O-N 3.29Å; A122-F124 PolarHBondContact O-N 3.24Å
125E74.4Confident72.6Confident152 Ų152123.5 Ų123.571%0.7166%0.658SS**Hα-helixtrans-82.3-18.6177-72-175.716500113.2L121 A122 S127L121-E125 PolarHBondContact O-N 3.16Å; A122-E125 PolarHBondContact O-N 3.36Å; E125-S127 PolarHBondContact O-N 3.32Å
126G59.2Low70.7Confident72 Ų72125.7 Ų125.774%0.74268%0.678SS**SBendtrans-70.217.5174.700000116.1A122A122-G126 PolarHBondContact O-N 2.84Å
127S55.3Low68.6Low79 Ų79131.5 Ų131.555%0.55269%0.693SS**  trans-122.543-178.1-153.90000113.9E125 G129E125-S127 PolarHBondContact O-N 3.32Å; S127-G129 VanDerWaalsContact C-N 3.27Å; S127-G129 PolarHBondContact O-N 2.86Å
128D60.3Low66.2Low169 Ų169127.7 Ų127.790%0.90470%0.698SS**SBendtrans-78.285.2157.6-67.9-23.2000109.1
129G60.3Low64.3Low73 Ų73124.4 Ų124.475%0.75370%0.701SS**SBendtrans111.928.2152.600000118.7S127S127-G129 VanDerWaalsContact C-N 3.27Å; S127-G129 PolarHBondContact O-N 2.86Å
130N46.6Very low62.6Low125 Ų125123.8 Ų123.867%0.66871%0.706SS**  trans-139.9126.6165.1-1459.2000115V132N130-V132 VanDerWaalsContact C-N 3.3Å; N130-V132 PolarHBondContact O-N 3.23Å
131K57.2Low60.3Low202 Ų202124.6 Ų124.688%0.87872%0.72SS**  trans-74.375.5-172.9-49169.8-167.8176.60109.3
132V49.3Very low58.2Low111 Ų111128 Ų12867%0.67374%0.739SS**  trans-93.8111.5176-176.60000109.7N130 T134N130-V132 VanDerWaalsContact C-N 3.3Å; N130-V132 PolarHBondContact O-N 3.23Å; V132-T134 PolarHBondContact O-N 3.1Å
133K63.1Low56.5Low206 Ų206130.5 Ų130.590%0.89676%0.759SS**  trans-68.193.8-179.8-61168.8-178.5174.80110.3
134T58.9Low54.8Low100 Ų100130.9 Ų130.961%0.61376%0.763SS**  trans-132.613915743.50000107.4V132V132-T134 PolarHBondContact O-N 3.1Å
135F48.5Very low53.1Low193 Ų193133.2 Ų133.285%0.84677%0.772SS**  trans87.8107.5-171.9-46.3-68.7000116.9R137F135-R137 PolarHBondContact O-N 3.42Å; F135-R137 VanDerWaalsContact O-N 3.14Å
136V53Low51.7Low149 Ų149133.5 Ų133.590%0.90378%0.779SS**  trans-67.6101.2153.21760000106.9G138V136-G138 PolarHBondContact O-N 2.86Å; V136-G138 VanDerWaalsContact O-N 3.17Å
137R51.1Low50.6Low234 Ų234139.7 Ų139.788%0.88379%0.789SS**  trans-69.5103.5170.6-165.384.5178129.40.4107.7F135 G139F135-R137 PolarHBondContact O-N 3.42Å; F135-R137 VanDerWaalsContact O-N 3.14Å; R137-G139 PolarHBondContact O-N 3.21Å
138G41.8Very low49.7Very low67 Ų67144.1 Ų144.169%0.69180%0.8SS**  trans-61.1109170.800000109.9V136V136-G138 PolarHBondContact O-N 2.86Å; V136-G138 VanDerWaalsContact O-N 3.17Å
139G49.7Very low48.6Very low66 Ų66145.1 Ų145.168%0.6880%0.8SS**  trans-72.7124.6175.800000110.7R137 V141R137-G139 PolarHBondContact O-N 3.21Å; G139-V141 PolarHBondContact O-N 2.9Å
140V55.1Low47.8Very low131 Ų131147.2 Ų147.279%0.79480%0.798SS**  trans-78.3109.5162.2176.20000106.6N142V140-N142 PolarHBondContact O-N 3.22Å
141V45.4Very low47.5Very low132 Ų132148.7 Ų148.780%0.881%0.806SS**  trans-82.4111.1173.7-179.50000108G139 A143G139-V141 PolarHBondContact O-N 2.9Å; V141-A143 PolarHBondContact O-N 2.68Å
142N45.1Very low47.2Very low140 Ų140147.3 Ų147.375%0.74980%0.802SS**  trans-72.2118.3165.1-81.4-27.1000108.7V140 A144V140-N142 PolarHBondContact O-N 3.22Å; N142-A144 PolarHBondContact O-N 2.94Å
143A49.1Very low47.6Very low109 Ų109151.2 Ų151.290%0.90181%0.81SS**SBendtrans-78.150-17900000113.4V141V141-A143 PolarHBondContact O-N 2.68Å
144A48.1Very low47Very low86 Ų86153.5 Ų153.571%0.71181%0.813SS**  trans-150.164.1176.300000111.2N142N142-A144 PolarHBondContact O-N 2.94Å
145K43.7Very low46.6Very low201 Ų201151.8 Ų151.887%0.87482%0.815SS**  trans-168.4106.6149.3-114173.6177.8-177.60108.3
146D44.2Very low47.1Very low159 Ų159153 Ų15385%0.8582%0.82SS**  trans-51.2138.5157.9-68.4-52.1000108.8
147E36.8Very low47.8Very low201 Ų201152.9 Ų152.994%0.93981%0.813SS**  -169.5153.4126.7-73.5-123.417700108.9
148H36.9Very low48.2Very low173 Ų173151.1 Ų151.180%0.80181%0.808SS**  trans-101.3122.1-149.3-178.4-79.3000111.7
149E37.6Very low48.9Very low190 Ų190156.6 Ų156.689%0.88881%0.813SS**  trans-156.2138.6154.6-138.3171.2-17700112.7
150T41.8Very low48.9Very low116 Ų116158 Ų15871%0.71281%0.81SS**  trans-76.3136.1-165.648.80000113.6
151D41.2Very low48.5Very low156 Ų156157.1 Ų157.183%0.83481%0.809SS**  trans-147.9102.8150.1-163-0000110.8K153D151-K153 PolarHBondContact O-N 3.23Å
152E50.4Low48.6Very low174 Ų174155.6 Ų155.681%0.81381%0.805SS**  trans-74.897.7172.4-65.3-169.3126.500109.5
153K58.3Low48.8Very low193 Ų193159.8 Ų159.884%0.83981%0.81SS**  trans165.987146-91.1155.1-168.3175.30110.8D151D151-K153 PolarHBondContact O-N 3.23Å
154R50.7Low48.7Very low254 Ų254164.1 Ų164.196%0.95881%0.809SS**  trans-145140.3147.1-72.3-159178-179.10.5111.1
155G50.7Low48.4Very low63 Ų63164.1 Ų164.165%0.64981%0.809SS**  trans-61.8156.6-161.200000115.6I157G155-I157 PolarHBondContact O-N 3.09Å
156K58.7Low48.2Very low219 Ų219161.8 Ų161.895%0.95281%0.806SS**  trans-60.7100.6178.9-60.3178-179.9-179.40110.2
157I68.4Low48Very low147 Ų147163.7 Ų163.775%0.75481%0.809SS**  trans-73.8122.5162.4-75.3118.1000108.2G155 K159G155-I157 PolarHBondContact O-N 3.09Å; I157-K159 PolarHBondContact O-N 3.1Å
158Y58.9Low47.9Very low196 Ų196164 Ų16477%0.76981%0.808SS**  trans-58.9120176.3178.5-103.2000110.7P160Y158-P160 HydrophobicContact CD1-CG 4.46Å; Y158-P160 HydrophobicContact CE1-CB 3.82Å; Y158-P160 HydrophobicContact CE1-CG 4Å
159K56.1Low47.9Very low183 Ų183163.1 Ų163.180%0.79681%0.809SS**  trans-111.1105.8169.8-67.6179.6-179.2-179.40107.8I157 S161I157-K159 PolarHBondContact O-N 3.1Å; K159-S161 PolarHBondContact O-N 3.22Å
160P50.8Low48.4Very low95 Ų95159.5 Ų159.562%0.61780%0.802SS**  trans-68120.317424.8-28.8000109.4Y158 S162Y158-P160 HydrophobicContact CD1-CG 4.46Å; Y158-P160 HydrophobicContact CE1-CB 3.82Å; Y158-P160 HydrophobicContact CE1-CG 4Å; P160-S162 PolarHBondContact O-N 2.67Å
161S45Very low48.8Very low112 Ų112159.3 Ų159.378%0.78380%0.803SS**  trans-76.8113.8177.6-178.40000110K159 R163K159-S161 PolarHBondContact O-N 3.22Å; S161-R163 PolarHBondContact O-N 2.81Å
162S48.4Very low48.2Very low101 Ų101158.7 Ų158.771%0.70680%0.799SS**  trans-74.4108166.8166.90000108.7P160 F164P160-S162 PolarHBondContact O-N 2.67Å; S162-F164 PolarHBondContact O-N 3.23Å; S162-F164 VanDerWaalsContact O-N 3.11Å
163R48.4Very low47.4Very low227 Ų227158.7 Ų158.786%0.85780%0.799SS**  trans-74.491.4172.2-76.4-174.7171.2-168.4-1.7110.5S161S161-R163 PolarHBondContact O-N 2.81Å
164F48.3Very low46.2Very low201 Ų201154.4 Ų154.488%0.88279%0.794SS**  trans-149101.9149.8-71.5-69.5000109.8S162S162-F164 PolarHBondContact O-N 3.23Å; S162-F164 VanDerWaalsContact O-N 3.11Å
165A40.6Very low45.3Very low86 Ų86148.1 Ų148.171%0.71179%0.789SS**  trans-171.9140.6162.700000105
166D40.2Very low44.5Very low152 Ų152152.2 Ų152.281%0.81380%0.796SS**  cis-167.1146.7-3.3-101.7-48.8000103.7
167Q40.4Very low43.2Very low198 Ų198150.8 Ų150.893%0.92579%0.792SS**  trans-113.7128155.5-80.2-165.211.800109.2
168K34.9Very low42.1Very low208 Ų208155 Ų15590%0.90480%0.799SS**  trans-67.2140-172.5-79.4173.1166.9175.60113.7
169N35.7Very low41.2Very low155 Ų155151.1 Ų151.183%0.82980%0.798SS**  trans-62.2174.2150.1-97-15.9000111.6
170P48.7Very low40.5Very low113 Ų113148.3 Ų148.373%0.73480%0.798SS**  cis-154.2-150.436.347.2-24000113.7
171P49.8Very low40Very low113 Ų113148.6 Ų148.673%0.73480%0.803SS**  cis-130.6162.8-15.733.8-14.5000115.4
172N29Very low39.4Very low143 Ų143150.1 Ų150.177%0.76580%0.801SS**  153.2148.5107.3-147.1-0.9000114.1
173Q32.9Very low38.8Very low173 Ų173153.7 Ų153.781%0.80881%0.811SS**  trans94.1133.6160-62.8-171.716.700122.4
174S33.3Very low38.2Very low104 Ų104147.8 Ų147.873%0.72780%0.8SS**  trans-78.6153.2-172.851.70000115.1
175S31.6Very low37.8Very low121 Ų121146.5 Ų146.585%0.84680%0.801SS**  168.1154.1118.946.10000111.7
176N33.6Very low37.5Very low149 Ų149149.8 Ų149.880%0.79780%0.801SS**  trans-55.5149177.9-65.2-47000113.1
177E31.3Very low37.2Very low189 Ų189148 Ų14888%0.88380%0.796SS**  162.9149.4111.9-77.8-132.2143.500112
178R47.3Very low36.9Very low235 Ų235148.5 Ų148.589%0.88780%0.795SS**  trans-86.9145.4-176.9-173.5-176-165.9-177.64.5109.6
179P39.7Very low37Very low116 Ų116148.2 Ų148.275%0.75379%0.794SS**  trans-114.6161.816031.3-17.9000113.1
180P41.2Very low37.1Very low123 Ų123146.5 Ų146.580%0.79979%0.791SS**  trans-109.4164.9-140.633.8-21.7000114.5
181S39Very low37Very low102 Ų102146.6 Ų146.671%0.71379%0.792SS**  trans-78.4150.9167.6590000112.5
182L33.8Very low36.5Very low144 Ų144149.2 Ų149.275%0.75480%0.799SS**  trans72.1113.9140.1-114.3157.9000118.5V184L182-V184 HydrophobicContact CD2-CG2 4.23Å
183L35.5Very low36.9Very low175 Ų175152.6 Ų152.692%0.91681%0.807SS**  trans-90.9118.1154.5-77.4175.6000110
184V35.1Very low37.2Very low104 Ų104154.6 Ų154.663%0.6381%0.813SS**  trans-89.6140.1168.1174.10000107.9L182 E186L182-V184 HydrophobicContact CD2-CG2 4.23Å; V184-E186 HydrophobicContact CG1-CG 4.12Å
185I39.2Very low37.3Very low173 Ų173153 Ų15389%0.88781%0.813SS**  trans-118.5124157.2-65.9175.8000107.5
186E34.9Very low37.8Very low155 Ų155156 Ų15672%0.72481%0.814SS**  trans-87.3137-173.3-87.9-174.4131.400114.3V184V184-E186 HydrophobicContact CG1-CG 4.12Å
187T35.1Very low38.2Very low115 Ų115159 Ų15971%0.70682%0.82SS**  trans59.2128134.170.30000123
188K32.6Very low39.2Very low209 Ų209158.1 Ų158.191%0.90982%0.815SS**  -165.7137.3104.8-100.4173.8-178.3175.60112.3
189K37.6Very low39.6Very low202 Ų202156.4 Ų156.488%0.87882%0.815SS**  trans-108.6161.7169.7-93.2-175.7-178.4175.40108.3
190P38.6Very low40.8Very low118 Ų118160.6 Ų160.677%0.76682%0.821SS**  -156.4-161.663.941.9-18.6000115
191P46Very low42Very low116 Ų116159.7 Ų159.775%0.75380%0.804SS**  cis-124.5169.3-26.921.12.5000115.7
192L39.9Very low43.9Very low168 Ų168158 Ų15888%0.8879%0.792SS**  trans-30.5140.9170-66.9133.2000120.3
193K36Very low46.1Very low213 Ų213157.9 Ų157.993%0.92679%0.793SS**  trans-142.9143.1130.9-94-174.8-176176.80111.6
194K40.6Very low47.8Very low216 Ų216154.8 Ų154.894%0.93978%0.776SS**  trans-75.8140.5-174.6-132.7173.9-179.1177.90110.5
195G34.6Very low49.7Very low71 Ų71154.6 Ų154.673%0.73277%0.769SS**  trans175.1119.5166.600000113.8
196E42.1Very low51.7Low183 Ų183150.9 Ų150.986%0.85575%0.75SS**  trans45.7118.3159.8-95.8166.1117.800121.8E198E196-E198 VanDerWaalsContact C-N 3.32Å; E196-E198 PolarHBondContact O-N 3.17Å
197K42.9Very low54Low212 Ų212148.9 Ų148.992%0.92274%0.739SS**  trans-74.184.7162.5-68.8-178.2178.2179.50109.1K199K197-K199 PolarHBondContact O-N 3.05Å
198E51.4Low56.4Low170 Ų170149.7 Ų149.779%0.79473%0.733SS**  trans-71.7122.9157.9-78.4-170.5149.100108.7E196 K200E196-E198 VanDerWaalsContact C-N 3.32Å; E196-E198 PolarHBondContact O-N 3.17Å; E198-K200 PolarHBondContact O-N 3.31Å
199K55.8Low58.8Low200 Ų200144 Ų14487%0.8771%0.709SS**  trans-60107.6174.7-64.9174.3-177.9175.50107K197 K201K197-K199 PolarHBondContact O-N 3.05Å; K199-K201 PolarHBondContact O-N 3.49Å
200K63.8Low61Low203 Ų203139.2 Ų139.288%0.88369%0.69SS**  trans-55.3115171.5-67.7179.5179.5-1780107.3E198 S202E198-K200 PolarHBondContact O-N 3.31Å; K200-S202 PolarHBondContact O-N 3.41Å
201K68.3Low63.1Low104 Ų104138 Ų13845%0.45268%0.677SS.*  trans-49.1136.4173.7-55.6-173.8-167.1179.40108.3K199 E205 E209K199-K201 PolarHBondContact O-N 3.49Å; K201-E205 HydrophobicContact CB-CB 4.2Å; K201-E205 HydrophobicContact CB-CG 4.26Å; K201-E209 VanDerWaalsContact NZ-CD 3.26Å; K201-E209 IonicContact NZ-OE1 3.46Å; K201-E209 PolarHBondContact NZ-OE1 2.67Å; K201-E209 IonicContact NZ-OE2 3.03Å; K201-E209 PolarHBondContact NZ-OE2 2.78Å
202S78.3Confident65.1Low66 Ų66139.6 Ų139.646%0.46267%0.672SS.*  trans-61.3151.3-178.875.50000109.7K200 L204 E205 L206K200-S202 PolarHBondContact O-N 3.41Å; S202-L204 PolarHBondContact O-N 2.75Å; S202-E205 WeakPolarHBondContact O-CA 3.49Å; S202-E205 WeakPolarHBondContact O-CB 3.48Å; S202-E205 PolarHBondContact O-N 3.35Å; S202-E205 PolarHBondContact OG-N 3.03Å; S202-L206 PolarHBondContact O-N 3.13Å; S202-L206 VanDerWaalsContact O-N 3.07Å
203N79.2Confident67.1Low143 Ų143137.8 Ų137.877%0.76566%0.659SS**Hα-helixtrans-50.9-31.1177.8-98-40.4000112.9F207N203-F207 PolarHBondContact O-N 3.38Å; N203-F207 VanDerWaalsContact O-N 3.08Å
204L71.9Confident69.1Low109 Ų109130.7 Ų130.757%0.57163%0.631SS**Hα-helixtrans-69.4-36176.9-163.986.3000112.7S202 K208S202-L204 PolarHBondContact O-N 2.75Å; L204-K208 VanDerWaalsContact O-CG 3.27Å; L204-K208 WeakPolarHBondContact O-CG 3.23Å; L204-K208 PolarHBondContact O-N 3.18Å
205E75.7Confident70.6Confident101 Ų101125.7 Ų125.747%0.47261%0.61SS.*Hα-helixtrans-73.5-37.7178.9-166.5175.2-172.700110.7K201 S202 F207 K208 E209K201-E205 HydrophobicContact CB-CB 4.2Å; K201-E205 HydrophobicContact CB-CG 4.26Å; S202-E205 WeakPolarHBondContact O-CA 3.49Å; S202-E205 WeakPolarHBondContact O-CB 3.48Å; S202-E205 PolarHBondContact O-N 3.35Å; S202-E205 PolarHBondContact OG-N 3.03Å; E205-F207 VanDerWaalsContact C-N 3.34Å; E205-F207 PolarHBondContact O-N 3.09Å; E205-K208 PolarHBondContact O-N 3.49Å; E205-E209 VanDerWaalsContact O-CB 3.32Å; E205-E209 WeakPolarHBondContact O-CB 3.43Å; E205-E209 PolarHBondContact O-N 3.26Å
206L80.1Confident72.7Confident94 Ų94127.9 Ų127.949%0.49260%0.602SS.*Hα-helixtrans-61.3-43.4171.9-153.482000111.4S202 E209 E210S202-L206 PolarHBondContact O-N 3.13Å; S202-L206 VanDerWaalsContact O-N 3.07Å; L206-E209 PolarHBondContact O-N 3.13Å; L206-E210 WeakPolarHBondContact O-CB 3.45Å; L206-E210 PolarHBondContact O-N 3.31Å
207F83.3Confident74.5Confident113 Ų113123.7 Ų123.750%0.49658%0.582SS.*Hα-helixtrans-68.2-37178.3-173.5-108.9000112.8N203 E205 E210 L211N203-F207 PolarHBondContact O-N 3.38Å; N203-F207 VanDerWaalsContact O-N 3.08Å; E205-F207 VanDerWaalsContact C-N 3.34Å; E205-F207 PolarHBondContact O-N 3.09Å; F207-E210 PolarHBondContact O-N 3.46Å; F207-L211 HydrophobicContact CD1-CD1 4.01Å; F207-L211 HydrophobicContact CD1-CG 4.5Å; F207-L211 HydrophobicContact CE1-CD1 3.49Å; F207-L211 VanDerWaalsContact CE1-CD1 3.49Å; F207-L211 HydrophobicContact CE1-CG 4.12Å; F207-L211 HydrophobicContact CZ-CD1 3.9Å; F207-L211 HydrophobicContact CZ-CD2 4.39Å; F207-L211 HydrophobicContact CZ-CG 4.14Å; F207-L211 WeakPolarHBondContact O-CG 3.41Å; F207-L211 PolarHBondContact O-N 3.42Å
208K86.6Confident75.9Confident132 Ų132120.7 Ų120.757%0.57457%0.565SS**Hα-helixtrans-66.9-39.1173.9-74.7174.4179.2-174.20111.8L204 E205 K212L204-K208 VanDerWaalsContact O-CG 3.27Å; L204-K208 WeakPolarHBondContact O-CG 3.23Å; L204-K208 PolarHBondContact O-N 3.18Å; E205-K208 PolarHBondContact O-N 3.49Å; K208-K212 VanDerWaalsContact O-CB 3.3Å; K208-K212 WeakPolarHBondContact O-CB 3.2Å; K208-K212 PolarHBondContact O-N 3.3Å
209E81.7Confident76.8Confident89 Ų89117.1 Ų117.142%0.41655%0.551SS.*Hα-helixtrans-66.2-40.6175.1-170.3168.5-157.500111K201 E205 L206 K212 Q213K201-E209 VanDerWaalsContact NZ-CD 3.26Å; K201-E209 IonicContact NZ-OE1 3.46Å; K201-E209 PolarHBondContact NZ-OE1 2.67Å; K201-E209 IonicContact NZ-OE2 3.03Å; K201-E209 PolarHBondContact NZ-OE2 2.78Å; E205-E209 VanDerWaalsContact O-CB 3.32Å; E205-E209 WeakPolarHBondContact O-CB 3.43Å; E205-E209 PolarHBondContact O-N 3.26Å; L206-E209 PolarHBondContact O-N 3.13Å; E209-K212 PolarHBondContact O-N 3.37Å; E209-Q213 VanDerWaalsContact O-CB 3.28Å; E209-Q213 WeakPolarHBondContact O-CB 3.48Å; E209-Q213 PolarHBondContact O-N 3.09Å
210E84.8Confident77.6Confident103 Ų103112.2 Ų112.248%0.48153%0.531SS..Hα-helixtrans-63.2-48.4175.1-175.2176.9-16700112.2L206 F207 K212 Q213 I214L206-E210 WeakPolarHBondContact O-CB 3.45Å; L206-E210 PolarHBondContact O-N 3.31Å; F207-E210 PolarHBondContact O-N 3.46Å; E210-K212 VanDerWaalsContact C-N 3.31Å; E210-K212 PolarHBondContact O-N 2.98Å; E210-Q213 PolarHBondContact O-N 3.09Å; E210-I214 HydrophobicContact CG-CD1 4.09Å; E210-I214 VanDerWaalsContact O-CG1 3.29Å; E210-I214 WeakPolarHBondContact O-CG1 3.17Å; E210-I214 PolarHBondContact O-N 3.21Å
211L82.2Confident77.8Confident91 Ų91108.8 Ų108.848%0.47651%0.513SS..Hα-helixtrans-62-40176.2-75.1179.2000112.2F207 I214 Q215F207-L211 HydrophobicContact CD1-CD1 4.01Å; F207-L211 HydrophobicContact CD1-CG 4.5Å; F207-L211 HydrophobicContact CE1-CD1 3.49Å; F207-L211 VanDerWaalsContact CE1-CD1 3.49Å; F207-L211 HydrophobicContact CE1-CG 4.12Å; F207-L211 HydrophobicContact CZ-CD1 3.9Å; F207-L211 HydrophobicContact CZ-CD2 4.39Å; F207-L211 HydrophobicContact CZ-CG 4.14Å; F207-L211 WeakPolarHBondContact O-CG 3.41Å; F207-L211 PolarHBondContact O-N 3.42Å; L211-I214 PolarHBondContact O-N 3.16Å; L211-Q215 PolarHBondContact O-N 2.86Å; L211-Q215 VanDerWaalsContact O-N 3.12Å
212K87.5Confident77.8Confident150 Ų150111.4 Ų111.465%0.65253%0.527SS*.Hα-helixtrans-64.6-42176-173.8179.5176.2-174.20111.2K208 E209 E210 Q215 E216K208-K212 VanDerWaalsContact O-CB 3.3Å; K208-K212 WeakPolarHBondContact O-CB 3.2Å; K208-K212 PolarHBondContact O-N 3.3Å; E209-K212 PolarHBondContact O-N 3.37Å; E210-K212 VanDerWaalsContact C-N 3.31Å; E210-K212 PolarHBondContact O-N 2.98Å; K212-Q215 PolarHBondContact O-N 3.19Å; K212-E216 VanDerWaalsContact O-CB 3.31Å; K212-E216 WeakPolarHBondContact O-CB 3.43Å; K212-E216 PolarHBondContact O-N 2.85Å
213Q82.9Confident77.5Confident131 Ų131114.7 Ų114.761%0.61253%0.533SS*.Hα-helixtrans-66.5-37.1178.3-168.2174.478.900111.9E209 E210 E216 E217E209-Q213 VanDerWaalsContact O-CB 3.28Å; E209-Q213 WeakPolarHBondContact O-CB 3.48Å; E209-Q213 PolarHBondContact O-N 3.09Å; E210-Q213 PolarHBondContact O-N 3.09Å; Q213-E216 PolarHBondContact O-N 2.88Å; Q213-E217 VanDerWaalsContact O-CB 3.25Å; Q213-E217 WeakPolarHBondContact O-CB 3.23Å; Q213-E217 PolarHBondContact O-N 3.09Å
214I77Confident76.5Confident64 Ų64111.1 Ų111.133%0.32852%0.516SS..Hα-helixtrans-65.4-39.3175-69.8164.9000111.6E210 L211 R218E210-I214 HydrophobicContact CG-CD1 4.09Å; E210-I214 VanDerWaalsContact O-CG1 3.29Å; E210-I214 WeakPolarHBondContact O-CG1 3.17Å; E210-I214 PolarHBondContact O-N 3.21Å; L211-I214 PolarHBondContact O-N 3.16Å; I214-R218 PolarHBondContact O-N 3.34Å; I214-R218 VanDerWaalsContact O-N 3.15Å
215Q72.9Confident75.9Confident110 Ų110112.3 Ų112.351%0.51452%0.516SS..Hα-helixtrans-69.8-44.1177.2-162.268.540.400110.8L211 K212 R218 D219L211-Q215 PolarHBondContact O-N 2.86Å; L211-Q215 VanDerWaalsContact O-N 3.12Å; K212-Q215 PolarHBondContact O-N 3.19Å; Q215-R218 WeakPolarHBondContact O-CB 2.95Å; Q215-R218 PolarHBondContact O-N 3.01Å; Q215-D219 VanDerWaalsContact O-CG 3.28Å; Q215-D219 PolarHBondContact O-N 2.69Å
216E78.8Confident74.7Confident117 Ų117110.2 Ų110.255%0.54752%0.522SS..Hα-helixtrans-64.4-39.3176.8-174.4167.9-154.800112.2K212 Q213 R218 D219 E220K212-E216 VanDerWaalsContact O-CB 3.31Å; K212-E216 WeakPolarHBondContact O-CB 3.43Å; K212-E216 PolarHBondContact O-N 2.85Å; Q213-E216 PolarHBondContact O-N 2.88Å; E216-R218 VanDerWaalsContact C-N 3.34Å; E216-R218 PolarHBondContact O-N 2.68Å; E216-D219 PolarHBondContact O-N 2.91Å; E216-E220 VanDerWaalsContact O-CB 3.28Å; E216-E220 WeakPolarHBondContact O-CB 3.45Å; E216-E220 PolarHBondContact O-N 3.11Å
217E80.3Confident73.2Confident95 Ų95115.6 Ų115.644%0.44454%0.536SS..Hα-helixtrans-64.6-37.6174.5-168.1-156174.600111.6Q213 R221Q213-E217 VanDerWaalsContact O-CB 3.25Å; Q213-E217 WeakPolarHBondContact O-CB 3.23Å; Q213-E217 PolarHBondContact O-N 3.09Å; E217-R221 VanDerWaalsContact CD-CZ 3.45Å; E217-R221 WeakPolarHBondContact O-CB 3.28Å; E217-R221 WeakPolarHBondContact O-CG 3.32Å; E217-R221 PolarHBondContact O-N 2.93Å; E217-R221 IonicContact OE1-CZ 3.88Å; E217-R221 IonicContact OE1-NH1 3.88Å; E217-R221 PolarHBondContact OE1-NH1 2.93Å; E217-R221 IonicContact OE1-NH2 3.98Å; E217-R221 PolarHBondContact OE1-NH2 3.44Å; E217-R221 VanDerWaalsContact OE1-NH2 3.12Å; E217-R221 IonicContact OE2-CZ 3.79Å; E217-R221 IonicContact OE2-NH1 2.67Å; E217-R221 IonicContact OE2-NH2 2.88Å; E217-R221 PolarHBondContact OE2-NH2 3.01Å
218R71.3Confident71.3Confident150 Ų150117.7 Ų117.757%0.56655%0.551SS**Hα-helixtrans-65.2-43.9173.1-85.5-166.2167.396.60.4111.5I214 Q215 E216 R221 H222I214-R218 PolarHBondContact O-N 3.34Å; I214-R218 VanDerWaalsContact O-N 3.15Å; Q215-R218 WeakPolarHBondContact O-CB 2.95Å; Q215-R218 PolarHBondContact O-N 3.01Å; E216-R218 VanDerWaalsContact C-N 3.34Å; E216-R218 PolarHBondContact O-N 2.68Å; R218-R221 PolarHBondContact O-N 3Å; R218-H222 WeakPolarHBondContact O-CB 3.47Å; R218-H222 PolarHBondContact O-N 2.78Å
219D71.4Confident69.3Low95 Ų95116.7 Ų116.751%0.50856%0.561SS.*Hα-helixtrans-70.3-38.3-179.3-66.7-16.2000111.5Q215 E216 H222 K223Q215-D219 VanDerWaalsContact O-CG 3.28Å; Q215-D219 PolarHBondContact O-N 2.69Å; E216-D219 PolarHBondContact O-N 2.91Å; D219-H222 PolarHBondContact O-N 3.44Å; D219-K223 VanDerWaalsContact O-CB 3.25Å; D219-K223 WeakPolarHBondContact O-CB 3.11Å; D219-K223 PolarHBondContact O-N 2.82Å
220E71.6Confident67.6Low96 Ų96123 Ų12345%0.44958%0.581SS.*Hα-helixtrans-63.3-44.3172.4-92.1-75.3120.800111.7E216 H222 K223 T224E216-E220 VanDerWaalsContact O-CB 3.28Å; E216-E220 WeakPolarHBondContact O-CB 3.45Å; E216-E220 PolarHBondContact O-N 3.11Å; E220-H222 VanDerWaalsContact C-N 3.26Å; E220-H222 PolarHBondContact O-N 2.68Å; E220-K223 PolarHBondContact O-N 2.74Å; E220-T224 WeakPolarHBondContact O-CB 3.26Å; E220-T224 WeakPolarHBondContact O-CG2 3.33Å; E220-T224 PolarHBondContact O-N 3.47Å; E220-T224 PolarHBondContact O-OG1 3.33Å
221R68.4Low65Low132 Ų132127.4 Ų127.450%0.49860%0.599SS.*Hα-helixtrans-60-38.9172.3-82.7-168.2-75.5-121.4-9.5111.8E217 R218 T224 K225E217-R221 VanDerWaalsContact CD-CZ 3.45Å; E217-R221 WeakPolarHBondContact O-CB 3.28Å; E217-R221 WeakPolarHBondContact O-CG 3.32Å; E217-R221 PolarHBondContact O-N 2.93Å; E217-R221 IonicContact OE1-CZ 3.88Å; E217-R221 IonicContact OE1-NH1 3.88Å; E217-R221 PolarHBondContact OE1-NH1 2.93Å; E217-R221 IonicContact OE1-NH2 3.98Å; E217-R221 PolarHBondContact OE1-NH2 3.44Å; E217-R221 VanDerWaalsContact OE1-NH2 3.12Å; E217-R221 IonicContact OE2-CZ 3.79Å; E217-R221 IonicContact OE2-NH1 2.67Å; E217-R221 IonicContact OE2-NH2 2.88Å; E217-R221 PolarHBondContact OE2-NH2 3.01Å; R218-R221 PolarHBondContact O-N 3Å; R221-T224 WeakPolarHBondContact CA-OG1 3.5Å; R221-T224 PolarHBondContact O-OG1 2.9Å; R221-K225 WeakPolarHBondContact O-CB 3.19Å; R221-K225 PolarHBondContact O-N 3.43Å
222H67.9Low62.9Low159 Ų159131.3 Ų131.374%0.73662%0.615SS**Hα-helixtrans-70.6-33.4178.4-136.4-85.5000112.4R218 D219 E220R218-H222 WeakPolarHBondContact O-CB 3.47Å; R218-H222 PolarHBondContact O-N 2.78Å; D219-H222 PolarHBondContact O-N 3.44Å; E220-H222 VanDerWaalsContact C-N 3.26Å; E220-H222 PolarHBondContact O-N 2.68Å
223K71.8Confident60.6Low135 Ų135128.8 Ų128.859%0.58761%0.614SS**Hα-helixtrans-79.4-38-179.5-169.7168173.5-174.20113.2D219 E220 G226D219-K223 VanDerWaalsContact O-CB 3.25Å; D219-K223 WeakPolarHBondContact O-CB 3.11Å; D219-K223 PolarHBondContact O-N 2.82Å; E220-K223 PolarHBondContact O-N 2.74Å; K223-G226 PolarHBondContact O-N 2.77Å
224T57.9Low58.6Low68 Ų68128.5 Ų128.542%0.41762%0.623SS.*Hα-helixtrans-70.2-37.2176.348.70000111.9E220 R221 G226 R227 L228E220-T224 WeakPolarHBondContact O-CB 3.26Å; E220-T224 WeakPolarHBondContact O-CG2 3.33Å; E220-T224 PolarHBondContact O-N 3.47Å; E220-T224 PolarHBondContact O-OG1 3.33Å; R221-T224 WeakPolarHBondContact CA-OG1 3.5Å; R221-T224 PolarHBondContact O-OG1 2.9Å; T224-G226 PolarHBondContact O-N 2.88Å; T224-R227 PolarHBondContact O-N 3.28Å; T224-R227 VanDerWaalsContact O-N 3.08Å; T224-L228 PolarHBondContact O-N 3.38Å
225K59.9Low56.5Low133 Ų133134.1 Ų134.158%0.57865%0.648SS**Hα-helixtrans-62.5-28173.4-159.8171.5-174.9176.40113R221 Y261R221-K225 WeakPolarHBondContact O-CB 3.19Å; R221-K225 PolarHBondContact O-N 3.43Å; K225-Y261 WeakPolarHBondContact CE-OH 3.27Å; K225-Y261 PolarHBondContact NZ-OH 3.03Å
226G50.4Low54.6Low57 Ų57134.4 Ų134.459%0.58866%0.662SS**Hα-helixtrans-76.9-19173.800000115.3K223 T224K223-G226 PolarHBondContact O-N 2.77Å; T224-G226 PolarHBondContact O-N 2.88Å
227R48Very low52.7Low207 Ų207136.1 Ų136.178%0.78168%0.675SS**Hα-helixtrans-96.6-20.6-178.9-88.1-137.5-91.5-136-1.5115.1T224 S229T224-R227 PolarHBondContact O-N 3.28Å; T224-R227 VanDerWaalsContact O-N 3.08Å; R227-S229 PolarHBondContact O-N 2.9Å
228L43.5Very low50.7Low157 Ų157137.5 Ų137.582%0.82270%0.695SS**THydrogen-bonded Turntrans-74.9-4.9175.3-72.2161000113.7T224T224-L228 PolarHBondContact O-N 3.38Å
229S44.9Very low49Very low111 Ų111138.8 Ų138.878%0.77671%0.713SS**THydrogen-bonded Turntrans-88.83177.3-175.70000114.6R227R227-S229 PolarHBondContact O-N 2.9Å
230R45.5Very low47.1Very low222 Ų222137.8 Ų137.884%0.83873%0.725SS**SBendtrans-134.851.5-175.3-165.7-171-77.5-112.4-8.1113.4
231F31.3Very low45.5Very low195 Ų195141.3 Ų141.386%0.85574%0.742SS**  trans-145.487.8162.7-135.9-94.6000109.6
232E37.6Very low43.9Very low174 Ų174144 Ų14481%0.81375%0.752SS**PPolyproline II helixtrans-89.9123.8166.7-170.5-166.216200107.4
233P38.2Very low42.3Very low97 Ų97146.4 Ų146.463%0.6376%0.755SS**PPolyproline II helixtrans-89.5143.4168.719.6-5.4000110.8
234P41.9Very low40.8Very low124 Ų124144.7 Ų144.781%0.80576%0.759SS**PPolyproline II helixtrans-74.1147.8-173.430.6-33000112.3
235Q33Very low39.7Very low183 Ų183150.1 Ų150.186%0.85578%0.782SS**PPolyproline II helixtrans-67.9141.3-179.8-56.6-176.9-74.700112
236S33Very low38.6Very low116 Ų116150.4 Ų150.481%0.81179%0.79SS**  trans-112.4118.9162.556.60000108.7
237D39Very low37.9Very low153 Ų153153.8 Ų153.882%0.81880%0.799SS**  trans-65.2137.8174.1-67.2-59000112.1
238S37.6Very low38.1Very low124 Ų124149.4 Ų149.487%0.86780%0.797SS**  trans-167.1122.1153.6-73.20000111.6
239D35Very low37.7Very low177 Ų177147.1 Ų147.195%0.94779%0.794SS**  trans-57.1158.6178.2-71.3-77.6000116.9
240G33Very low37.2Very low74 Ų74152.5 Ų152.576%0.76380%0.798SS**  trans164.763.4161.600000120.1
241Q37.3Very low36.6Very low170 Ų170153.3 Ų153.379%0.79480%0.801SS**  trans13.1143.1146-137.6172.6-3.200123.6
242R34.9Very low37.2Very low187 Ų187151.9 Ų151.971%0.70680%0.802SS**  trans97.7138.7151.2-61-169.5173.2-150.5-4.2116.9
243R35Very low36.9Very low211 Ų211154.9 Ų154.980%0.79681%0.806SS**  cis-158.3160.15.9-83.2-128.8-179.8-163-1110.7
244S40.8Very low37.2Very low98 Ų98155.8 Ų155.869%0.68582%0.815SS**  trans-59.8153.6167.9157.90000115.7
245M34.8Very low37.1Very low182 Ų182155.2 Ų155.290%0.89781%0.814SS**  175.1147.2127.9-78.7-108.7-159.500112.7
246D35.8Very low37.7Very low140 Ų140149.3 Ų149.375%0.74980%0.802SS**  trans-76.8142.2-170.7-60.8-91.7000117.6
247V34.9Very low38.3Very low128 Ų128150.7 Ų150.778%0.77681%0.805SS**  41.6152.1126.5-174.30000120.7
248P52.8Low38.4Very low114 Ų114151.3 Ų151.374%0.7481%0.808SS**  cis-139.9170.85.425.31.3000119.7
249S36.2Very low38.5Very low109 Ų109152 Ų15276%0.76280%0.802SS**  trans79133.9142.2-130.50000124.9
250R33.7Very low38.9Very low225 Ų225150.2 Ų150.285%0.84979%0.792SS**  trans86.999.4152.9-55.4-160.1-179-149.40.8120.3
251R31.8Very low39.4Very low239 Ų239155.3 Ų155.390%0.90279%0.789SS**  171.3128.497.7-101.3175176.6163-1111.4R253R251-R253 PolarHBondContact O-N 3.37Å
252N44.5Very low39.8Very low165 Ų165149.7 Ų149.788%0.88277%0.772SS**  trans-7.9104.7146.4-162.341.8000115.1
253R32.6Very low40.4Very low237 Ų237147.5 Ų147.589%0.89478%0.782SS**  trans-140105.7157-128.4-179.7-155.3-129.44.3108.6R251 S255R251-R253 PolarHBondContact O-N 3.37Å; R253-S255 PolarHBondContact O-N 2.97Å
254S44.2Very low41.3Very low116 Ų116139.3 Ų139.381%0.81176%0.763SS**  trans-52118.5160.647.90000110.5
255S39.9Very low42.1Very low112 Ų112137.3 Ų137.378%0.78375%0.749SS**  trans-157.3106.6163-158.60000103.8R253R253-S255 PolarHBondContact O-N 2.97Å
256G45.3Very low43.4Very low59 Ų59132.2 Ų132.261%0.60872%0.723SS**  cis66.2105.347.800000107.2
257V45.6Very low44.9Very low144 Ų144128.6 Ų128.687%0.87370%0.703SS**  trans85.667171-1630000116.4
258L41.8Very low46.3Very low167 Ų167128.4 Ų128.487%0.87470%0.702SS**SBendtrans-167.846.1145.3-151.688.3000115.5
259D38.1Very low46.7Very low139 Ų139125.9 Ų125.974%0.74370%0.697SS**  trans-149.532167.4-122.6-58000114Y261D259-Y261 PolarHBondContact O-N 3.21Å
260D44.3Very low48.4Very low138 Ų138124 Ų12474%0.73868%0.679SS**THydrogen-bonded Turntrans-84.710.7-179.1-113-80.7000114
261Y43.3Very low50.2Low181 Ų181118.4 Ų118.471%0.7167%0.671SS**THydrogen-bonded Turntrans-120.222.6178.4-112.6-95.6000114.2K225 D259 P263K225-Y261 WeakPolarHBondContact CE-OH 3.27Å; K225-Y261 PolarHBondContact NZ-OH 3.03Å; D259-Y261 PolarHBondContact O-N 3.21Å; Y261-P263 VanDerWaalsContact O-CD 3.31Å; Y261-P263 WeakPolarHBondContact O-CD 3.41Å
262A45.9Very low52.4Low52 Ų52110.2 Ų110.243%0.4365%0.651SS.*SBendtrans-68.1117.9154.800000108.2G264 S265A262-G264 VanDerWaalsContact C-N 3.26Å; A262-G264 PolarHBondContact O-N 3.43Å; A262-S265 PolarHBondContact O-N 2.94Å
263P46.6Very low54.4Low142 Ų142102.6 Ų102.692%0.92261%0.61SS**THydrogen-bonded Turntrans-66.786.9177.726.7-31.5000109.1Y261Y261-P263 VanDerWaalsContact O-CD 3.31Å; Y261-P263 WeakPolarHBondContact O-CD 3.41Å
264G54.1Low57.2Low38 Ų3891.6 Ų91.639%0.39257%0.57SS.*THydrogen-bonded Turntrans158.9-16.1-176.400000116.5A262 H266A262-G264 VanDerWaalsContact C-N 3.26Å; A262-G264 PolarHBondContact O-N 3.43Å; G264-H266 PolarHBondContact O-N 3.4Å; G264-H266 PolarHBondContact O-ND1 2.88Å
265S57.2Low59.6Low56 Ų5686.6 Ų86.639%0.39253%0.533SS..  trans-73.491.7178.4-169.30000110.5A262 D267A262-S265 PolarHBondContact O-N 2.94Å; S265-D267 PolarHBondContact O-N 2.74Å; S265-D267 WeakPolarHBondContact OG-CB 3.5Å
266H63.4Low62.2Low76 Ų7681.2 Ų81.235%0.35250%0.496SS..  trans-79.627.7165.9-65.174.6000111.1G264 V268 W352 G353 K354G264-H266 PolarHBondContact O-N 3.4Å; G264-H266 PolarHBondContact O-ND1 2.88Å; H266-V268 PolarHBondContact O-N 2.92Å; H266-W352 WeakPolarHBondContact CB-O 3.18Å; H266-W352 PolarHBondContact N-O 3.5Å; H266-W352 VanDerWaalsContact N-O 3.15Å; H266-G353 WeakPolarHBondContact CB-O 3.11Å; H266-K354 VanDerWaalsContact CD2-CG 3.44Å; H266-K354 WeakPolarHBondContact CD2-CG 3.31Å; H266-K354 WeakPolarHBondContact NE2-CE 3.49Å; H266-K354 WeakPolarHBondContact NE2-CG 3.38Å
267D67.3Low64.6Low63 Ų6382.5 Ų82.534%0.33748%0.483SS..  trans-76.667.9172.7-15110.4000108.8S265 G269 R328 W352S265-D267 PolarHBondContact O-N 2.74Å; S265-D267 WeakPolarHBondContact OG-CB 3.5Å; D267-G269 PolarHBondContact O-N 3.02Å; D267-R328 IonicContact OD1-CZ 3.12Å; D267-R328 IonicContact OD1-NH1 2.95Å; D267-R328 IonicContact OD1-NH2 2.75Å; D267-R328 PolarHBondContact OD1-NH2 3.15Å; D267-W352 HydrophobicContact CB-CB 4.06Å; D267-W352 HydrophobicContact CB-CG 3.84Å; D267-W352 VanDerWaalsContact OD2-CD1 3.29Å; D267-W352 PolarHBondContact OD2-NE1 3.08Å; D267-W352 VanDerWaalsContact OD2-NE1 3.11Å
268V62.9Low66.9Low124 Ų12475.7 Ų75.775%0.75244%0.442SS*.  trans-70.917.1-179.7-163.90000111.1H266 D270H266-V268 PolarHBondContact O-N 2.92Å; V268-D270 PolarHBondContact O-N 3.25Å; V268-D270 VanDerWaalsContact O-N 3.16Å
269G62.6Low69.4Low62 Ų6268 Ų6864%0.63940%0.403SS*.SBendtrans66.110.6-174.300000113.9D267 P271D267-G269 PolarHBondContact O-N 3.02Å; G269-P271 VanDerWaalsContact O-CD 3.23Å; G269-P271 WeakPolarHBondContact O-CD 3.27Å
270D71.6Confident72.1Confident70 Ų7063.4 Ų63.437%0.37438%0.378SS..  trans-78.2111.8178.1-174.6-13.8000109.3V268 S272 T273V268-D270 PolarHBondContact O-N 3.25Å; V268-D270 VanDerWaalsContact O-N 3.16Å; D270-S272 PolarHBondContact O-N 2.87Å; D270-S272 VanDerWaalsContact OD1-CB 3.28Å; D270-S272 WeakPolarHBondContact OD1-CB 3.35Å; D270-S272 PolarHBondContact OD1-N 2.77Å; D270-S272 PolarHBondContact OD1-OG 2.92Å; D270-S272 PolarHBondContact OD2-OG 2.77Å; D270-T273 HydrophobicContact CB-CG2 3.99Å; D270-T273 PolarHBondContact O-N 3.49Å; D270-T273 VanDerWaalsContact O-N 3.09Å; D270-T273 PolarHBondContact O-OG1 3Å
271P70.5Confident74.4Confident106 Ų10656.9 Ų56.969%0.68834%0.343SS*.THydrogen-bonded Turntrans-63.9-10.3-17926.9-33.8000113.2G269 R328G269-P271 VanDerWaalsContact O-CD 3.23Å; G269-P271 WeakPolarHBondContact O-CD 3.27Å; P271-R328 WeakPolarHBondContact O-CB 3.5Å; P271-R328 WeakPolarHBondContact O-CG 3.17Å
272S78.1Confident76.7Confident68 Ų6849.1 Ų49.148%0.47631%0.314SS..THydrogen-bonded Turntrans-85-7.7176.375.90000114.4D270 T274D270-S272 PolarHBondContact O-N 2.87Å; D270-S272 VanDerWaalsContact OD1-CB 3.28Å; D270-S272 WeakPolarHBondContact OD1-CB 3.35Å; D270-S272 PolarHBondContact OD1-N 2.77Å; D270-S272 PolarHBondContact OD1-OG 2.92Å; D270-S272 PolarHBondContact OD2-OG 2.77Å; S272-T274 PolarHBondContact O-N 3.29Å
273T86.3Confident78.8Confident5 Ų548.5 Ų48.53%0.03131%0.306CS..  trans-72.198.2-176.545.90000111.8D270 R328 A355D270-T273 HydrophobicContact CB-CG2 3.99Å; D270-T273 PolarHBondContact O-N 3.49Å; D270-T273 VanDerWaalsContact O-N 3.09Å; D270-T273 PolarHBondContact O-OG1 3Å; T273-R328 WeakPolarHBondContact O-CD 3.48Å; T273-R328 PolarHBondContact O-NH1 3.19Å; T273-R328 PolarHBondContact OG1-NH1 3.22Å; T273-A355 HydrophobicContact CG2-CB 4.02Å
274T92.1Very high80.9Confident6 Ų648.4 Ų48.44%0.03729%0.293CS..  trans-98.73179.664.20000114.4S272 A324 F325 R328 I358S272-T274 PolarHBondContact O-N 3.29Å; T274-A324 WeakPolarHBondContact O-CA 3.36Å; T274-F325 WeakPolarHBondContact CB-O 3.46Å; T274-F325 PolarHBondContact O-N 2.94Å; T274-F325 PolarHBondContact OG1-O 3.11Å; T274-R328 HydrophobicContact CG2-CB 4.26Å; T274-I358 HydrophobicContact CG2-CD1 3.83Å
275N94.4Very high82.7Confident10 Ų1046.8 Ų46.85%0.05328%0.275CS..EExtended strand (participates in β ladder)trans-98.4131.6-173.5-167.916.6000112.4V323 A324 G353 K354 V356N275-V323 PolarHBondContact OD1-O 2.94Å; N275-A324 HydrophobicContact CB-CB 4.34Å; N275-G353 PolarHBondContact O-N 3.33Å; N275-K354 WeakPolarHBondContact CB-O 3.32Å; N275-K354 PolarHBondContact ND2-O 3.44Å; N275-V356 HydrophobicContact CB-CG2 4.38Å; N275-V356 VanDerWaalsContact ND2-CG2 3.26Å; N275-V356 WeakPolarHBondContact ND2-CG2 3.37Å
276L94.9Very high84.5Confident0 Ų048.2 Ų48.20%028%0.278CS..EExtended strand (participates in β ladder)trans-110.3132.6177.3-60.8-178.9000110.2F294 F322 V323 F325 A331 A334 L335 L350 G351 W352L276-F294 HydrophobicContact CD1-CE1 4.35Å; L276-F322 CarbonylContact O-C 3.58Å; L276-F322 VanDerWaalsContact O-CA 3.27Å; L276-F322 WeakPolarHBondContact O-CA 3.21Å; L276-V323 PolarHBondContact N-O 2.75Å; L276-V323 PolarHBondContact O-N 3.49Å; L276-F325 HydrophobicContact CD1-CD2 4.27Å; L276-F325 HydrophobicContact CD1-CE2 3.78Å; L276-A331 HydrophobicContact CD1-CB 4.3Å; L276-A331 HydrophobicContact CD2-CB 4.28Å; L276-A331 HydrophobicContact CG-CB 4.2Å; L276-A334 HydrophobicContact CD1-CB 4.13Å; L276-L335 HydrophobicContact CD1-CB 4.45Å; L276-L335 HydrophobicContact CD2-CB 4.18Å; L276-L335 HydrophobicContact CD2-CD1 4.46Å; L276-L335 HydrophobicContact CD2-CD2 4.45Å; L276-L350 HydrophobicContact CD1-CD2 4.32Å; L276-G351 CarbonylContact C-O 3.52Å; L276-G351 WeakPolarHBondContact CA-O 3.47Å; L276-W352 HydrophobicContact CD2-CD2 4.13Å; L276-W352 HydrophobicContact CD2-CE3 3.41Å; L276-W352 VanDerWaalsContact CD2-CE3 3.41Å; L276-W352 HydrophobicContact CD2-CH2 3.91Å; L276-W352 HydrophobicContact CD2-CZ3 3.27Å; L276-W352 HydrophobicContact CG-CZ3 4.36Å
277Y95.3Very high85.9Confident86 Ų8648.5 Ų48.534%0.33728%0.28SS..EExtended strand (participates in β ladder)trans-81135.3164.5172.5-106.3000109.9C320 F322 L350 G351Y277-C320 HydrophobicContact CE2-CB 3.97Å; Y277-C320 PolarHBondContact OH-SG 3.44Å; Y277-F322 HydrophobicContact CD2-CD1 4.24Å; Y277-F322 AromaticContact CD2-CE1 3.61Å; Y277-F322 HydrophobicContact CD2-CE1 3.61Å; Y277-F322 HydrophobicContact CD2-CE2 4.47Å; Y277-F322 AromaticContact CD2-CZ 3.74Å; Y277-F322 HydrophobicContact CD2-CZ 3.74Å; Y277-F322 HydrophobicContact CE2-CZ 4.36Å; Y277-F322 HydrophobicContact CG-CE1 4.27Å; Y277-L350 VanDerWaalsContact O-CA 3.32Å; Y277-L350 WeakPolarHBondContact O-CA 3.27Å; Y277-G351 PolarHBondContact N-O 3.03Å; Y277-G351 PolarHBondContact O-N 3.36Å
278L95Very high87.1Confident0 Ų052.4 Ų52.40%030%0.296CS..EExtended strand (participates in β ladder)trans-113.9117.2175.6-56.5-171.6000109.3I281 L290 F294 C320 G321 V323 L350L278-I281 HydrophobicContact CB-CD1 3.49Å; L278-I281 VanDerWaalsContact CB-CD1 3.49Å; L278-I281 HydrophobicContact CB-CG1 3.96Å; L278-I281 HydrophobicContact CD1-CD1 3.93Å; L278-I281 HydrophobicContact CG-CD1 4.39Å; L278-L290 HydrophobicContact CD1-CD1 4.15Å; L278-L290 HydrophobicContact CD1-CD2 3.78Å; L278-F294 HydrophobicContact CD1-CE2 3.87Å; L278-F294 HydrophobicContact CD1-CZ 3.87Å; L278-F294 HydrophobicContact CD2-CE1 3.74Å; L278-F294 HydrophobicContact CD2-CE2 4.13Å; L278-F294 HydrophobicContact CD2-CZ 3.27Å; L278-F294 HydrophobicContact CG-CZ 4.21Å; L278-C320 CarbonylContact O-C 3.45Å; L278-C320 WeakPolarHBondContact O-CA 3.38Å; L278-G321 PolarHBondContact N-O 2.83Å; L278-G321 PolarHBondContact O-N 2.81Å; L278-V323 HydrophobicContact CD1-CB 4.48Å; L278-V323 HydrophobicContact CD1-CG2 3.51Å; L278-V323 HydrophobicContact CG-CG2 4.19Å; L278-L350 HydrophobicContact CD2-CD1 4.25Å; L278-L350 HydrophobicContact CD2-CD2 4.1Å; L278-L350 HydrophobicContact CD2-CG 3.64Å
279G93.6Very high88.6Confident5 Ų549.5 Ų49.55%0.05228%0.275CS..EExtended strand (participates in β ladder)trans-110.8156.1173.300000111.4I281 K349G279-I281 VanDerWaalsContact C-N 3.34Å; G279-I281 PolarHBondContact O-N 3.21Å; G279-K349 PolarHBondContact N-O 2.91Å; G279-K349 PolarHBondContact O-N 2.85Å
280N93.6Very high90.1Very high43 Ų4346.6 Ų46.623%0.2325%0.245CC..EExtended strand (participates in β ladder)trans5941.3176.5-160.147.1000113.7R318 N319 E347N280-R318 WeakPolarHBondContact OD1-CD 3.16Å; N280-N319 PolarHBondContact N-O 2.74Å; N280-E347 WeakPolarHBondContact CB-O 3.43Å; N280-E347 PolarHBondContact ND2-O 2.83Å
281I93.6Very high91.1Very high1 Ų144 Ų441%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-79.1141.8175.3-43.1-180000109L278 G279 M285 L290 N319 M348L278-I281 HydrophobicContact CB-CD1 3.49Å; L278-I281 VanDerWaalsContact CB-CD1 3.49Å; L278-I281 HydrophobicContact CB-CG1 3.96Å; L278-I281 HydrophobicContact CD1-CD1 3.93Å; L278-I281 HydrophobicContact CG-CD1 4.39Å; G279-I281 VanDerWaalsContact C-N 3.34Å; G279-I281 PolarHBondContact O-N 3.21Å; I281-M285 HydrophobicContact CG2-CB 3.73Å; I281-M285 HydrophobicContact CG2-CG 4.14Å; I281-M285 HydrophobicContact CG2-SD 3.53Å; I281-M285 VanDerWaalsContact CG2-SD 3.53Å; I281-L290 HydrophobicContact CD1-CD1 4.37Å; I281-N319 HydrophobicContact CB-CB 4.31Å; I281-N319 PolarHBondContact N-O 2.8Å; I281-N319 PolarHBondContact O-N 3.28Å; I281-M348 HydrophobicContact CB-SD 4.27Å; I281-M348 HydrophobicContact CG1-SD 3.75Å; I281-M348 HydrophobicContact CG2-SD 4.19Å
282N92Very high92.1Very high18 Ų1844.5 Ų44.510%0.09623%0.225CC..  trans-58.4133.2172.6-174.5-38.7000110.5Q284 M285 M344 F346N282-Q284 PolarHBondContact O-N 2.96Å; N282-Q284 WeakPolarHBondContact OD1-CB 3.45Å; N282-Q284 PolarHBondContact OD1-N 3.2Å; N282-M285 HydrophobicContact CB-CB 4.41Å; N282-M285 WeakPolarHBondContact O-CB 3.46Å; N282-M285 PolarHBondContact O-N 3.43Å; N282-M344 HydrophobicContact CB-CB 4.18Å; N282-M344 VanDerWaalsContact ND2-CB 3.31Å; N282-M344 WeakPolarHBondContact ND2-CB 3.47Å; N282-M344 PolarHBondContact ND2-O 3.03Å; N282-F346 HydrophobicContact CB-CB 4.42Å; N282-F346 HydrophobicContact CB-CD2 3.58Å; N282-F346 HydrophobicContact CB-CE2 4.04Å; N282-F346 HydrophobicContact CB-CG 4.09Å; N282-F346 WeakPolarHBondContact ND2-CD2 3.45Å; N282-F346 WeakPolarHBondContact ND2-CE2 3.3Å
283P90.5Very high92.8Very high40 Ų4043 Ų4326%0.2621%0.211SC..THydrogen-bonded Turntrans-63.4-19.6179.724.5-34.8000115.1M285 E317 N319P283-M285 VanDerWaalsContact C-N 3.28Å; P283-E317 WeakPolarHBondContact CD-O 3.44Å; P283-N319 WeakPolarHBondContact CA-ND2 3.32Å
284Q90.7Very high93.2Very high139 Ų13942.7 Ų42.765%0.6521%0.209SC*.THydrogen-bonded Turntrans-84.2-2.6173.4-59.6-62.5-58.500112.8N282 M289 M344N282-Q284 PolarHBondContact O-N 2.96Å; N282-Q284 WeakPolarHBondContact OD1-CB 3.45Å; N282-Q284 PolarHBondContact OD1-N 3.2Å; Q284-M289 WeakPolarHBondContact O-CE 3.49Å; Q284-M344 HydrophobicContact CB-CE 4.3Å
285M91.5Very high93.2Very high5 Ų542.4 Ų42.43%0.02521%0.207CC..  trans-78.8126.5-177.1-157172.5-171.900111.4I281 N282 P283 M289 L290 I305 I343 M344 M348I281-M285 HydrophobicContact CG2-CB 3.73Å; I281-M285 HydrophobicContact CG2-CG 4.14Å; I281-M285 HydrophobicContact CG2-SD 3.53Å; I281-M285 VanDerWaalsContact CG2-SD 3.53Å; N282-M285 HydrophobicContact CB-CB 4.41Å; N282-M285 WeakPolarHBondContact O-CB 3.46Å; N282-M285 PolarHBondContact O-N 3.43Å; P283-M285 VanDerWaalsContact C-N 3.28Å; M285-M289 VanDerWaalsContact CA-CE 3.43Å; M285-M289 HydrophobicContact CB-CE 4.2Å; M285-M289 HydrophobicContact CE-CB 3.97Å; M285-M289 HydrophobicContact CG-CB 4.11Å; M285-M289 HydrophobicContact CG-CE 3.86Å; M285-L290 HydrophobicContact CE-CD2 3.52Å; M285-L290 HydrophobicContact CE-CG 3.95Å; M285-L290 HydrophobicContact CG-CD2 4.46Å; M285-L290 HydrophobicContact CG-CG 4.3Å; M285-L290 HydrophobicContact SD-CD2 3.55Å; M285-L290 VanDerWaalsContact SD-CD2 3.55Å; M285-L290 HydrophobicContact SD-CG 4.01Å; M285-I305 WeakPolarHBondContact O-CD1 3.26Å; M285-I343 HydrophobicContact CE-CG2 3.98Å; M285-I343 HydrophobicContact SD-CG2 4.25Å; M285-M344 HydrophobicContact CG-SD 4.5Å; M285-M348 HydrophobicContact CE-CE 4.34Å; M285-M348 HydrophobicContact SD-CE 4.17Å
286N94.1Very high93.1Very high85 Ų8550.5 Ų50.546%0.45524%0.237SC..  trans-95.2162.4176.6-65.1-24.1000111.6E288 M289 L290N286-E288 PolarHBondContact O-N 2.88Å; N286-M289 HydrophobicContact CB-CE 4.4Å; N286-M289 VanDerWaalsContact N-CE 3.31Å; N286-M289 PolarHBondContact O-N 3.26Å; N286-L290 PolarHBondContact O-N 3.2Å
287E93.4Very high92.9Very high83 Ų8352.1 Ų52.139%0.38824%0.244SC..Hα-helixtrans-58-36.4175.9-71114175.900112.3M289 L290 C291 V303 I305E287-M289 VanDerWaalsContact C-N 3.34Å; E287-M289 PolarHBondContact O-N 2.8Å; E287-L290 WeakPolarHBondContact O-CB 3.38Å; E287-L290 PolarHBondContact O-N 3.24Å; E287-C291 PolarHBondContact O-N 3.29Å; E287-C291 PolarHBondContact O-SG 2.98Å; E287-V303 HydrophobicContact CB-CG1 4.12Å; E287-V303 HydrophobicContact CG-CG1 4.14Å; E287-I305 HydrophobicContact CG-CD1 4.07Å; E287-I305 HydrophobicContact CG-CG1 4.11Å
288E92.8Very high92.8Very high145 Ų14548.1 Ų48.168%0.67823%0.229SC*.Hα-helixtrans-61.2-40178-65.8-178.2176.600112.9N286 L290 C291 Q292N286-E288 PolarHBondContact O-N 2.88Å; E288-L290 VanDerWaalsContact C-N 3.35Å; E288-C291 WeakPolarHBondContact O-CB 3.45Å; E288-C291 PolarHBondContact O-N 2.71Å; E288-Q292 WeakPolarHBondContact O-CG 3.36Å; E288-Q292 PolarHBondContact O-N 3.31Å
289M93.2Very high92.7Very high63 Ų6349.2 Ų49.231%0.3124%0.236SC..Hα-helixtrans-69.7-36.1177.6-67.2-165-70.100111.2Q284 M285 N286 E287 Q292 E293 M344Q284-M289 WeakPolarHBondContact O-CE 3.49Å; M285-M289 VanDerWaalsContact CA-CE 3.43Å; M285-M289 HydrophobicContact CB-CE 4.2Å; M285-M289 HydrophobicContact CE-CB 3.97Å; M285-M289 HydrophobicContact CG-CB 4.11Å; M285-M289 HydrophobicContact CG-CE 3.86Å; N286-M289 HydrophobicContact CB-CE 4.4Å; N286-M289 VanDerWaalsContact N-CE 3.31Å; N286-M289 PolarHBondContact O-N 3.26Å; E287-M289 VanDerWaalsContact C-N 3.34Å; E287-M289 PolarHBondContact O-N 2.8Å; M289-Q292 PolarHBondContact O-N 3.36Å; M289-E293 PolarHBondContact O-N 2.86Å; M289-M344 HydrophobicContact CE-CE 4.48Å; M289-M344 HydrophobicContact CE-SD 4.05Å; M289-M344 HydrophobicContact SD-SD 4.39Å
290L93.9Very high92.8Very high1 Ų149 Ų491%0.00523%0.234CC..Hα-helixtrans-64.4-43.2170.7-70.1172.7000110.7L278 I281 M285 N286 E287 E288 Q292 E293 F294 V303 I305 M348L278-L290 HydrophobicContact CD1-CD1 4.15Å; L278-L290 HydrophobicContact CD1-CD2 3.78Å; I281-L290 HydrophobicContact CD1-CD1 4.37Å; M285-L290 HydrophobicContact CE-CD2 3.52Å; M285-L290 HydrophobicContact CE-CG 3.95Å; M285-L290 HydrophobicContact CG-CD2 4.46Å; M285-L290 HydrophobicContact CG-CG 4.3Å; M285-L290 HydrophobicContact SD-CD2 3.55Å; M285-L290 VanDerWaalsContact SD-CD2 3.55Å; M285-L290 HydrophobicContact SD-CG 4.01Å; N286-L290 PolarHBondContact O-N 3.2Å; E287-L290 WeakPolarHBondContact O-CB 3.38Å; E287-L290 PolarHBondContact O-N 3.24Å; E288-L290 VanDerWaalsContact C-N 3.35Å; L290-Q292 VanDerWaalsContact C-N 3.31Å; L290-Q292 PolarHBondContact O-N 3.4Å; L290-E293 PolarHBondContact O-N 3.17Å; L290-F294 HydrophobicContact CB-CD2 4.43Å; L290-F294 HydrophobicContact CD2-CD2 4.21Å; L290-F294 HydrophobicContact CD2-CE2 3.81Å; L290-F294 WeakPolarHBondContact O-CB 3.46Å; L290-F294 VanDerWaalsContact O-CD2 3.26Å; L290-F294 WeakPolarHBondContact O-CD2 3.31Å; L290-F294 PolarHBondContact O-N 3.44Å; L290-V303 HydrophobicContact CB-CG1 3.98Å; L290-V303 HydrophobicContact CD1-CG1 4.2Å; L290-I305 HydrophobicContact CD1-CD1 3.8Å; L290-I305 HydrophobicContact CD1-CG1 3.65Å; L290-M348 HydrophobicContact CD2-CE 4.11Å
291C93.6Very high92.8Very high15 Ų1547 Ų4710%0.10122%0.223CC..Hα-helixtrans-57.8-43.9175.7-72.70000111.9E287 E288 G295 L300 Y364E287-C291 PolarHBondContact O-N 3.29Å; E287-C291 PolarHBondContact O-SG 2.98Å; E288-C291 WeakPolarHBondContact O-CB 3.45Å; E288-C291 PolarHBondContact O-N 2.71Å; C291-G295 WeakPolarHBondContact O-CA 3.2Å; C291-G295 PolarHBondContact O-N 3.17Å; C291-L300 HydrophobicContact CB-CD1 4.22Å; C291-Y364 HydrophobicContact CB-CD1 4.38Å; C291-Y364 HydrophobicContact CB-CD2 3.67Å; C291-Y364 HydrophobicContact CB-CE2 4.04Å; C291-Y364 HydrophobicContact CB-CG 3.83Å; C291-Y364 VanDerWaalsContact O-CE1 3.27Å; C291-Y364 WeakPolarHBondContact O-CE1 3.43Å
292Q92.1Very high92.8Very high116 Ų11649.1 Ų49.154%0.54224%0.238SC..Hα-helixtrans-64.9-45177.5-71.1175.315.500112.3E288 M289 L290 R296E288-Q292 WeakPolarHBondContact O-CG 3.36Å; E288-Q292 PolarHBondContact O-N 3.31Å; M289-Q292 PolarHBondContact O-N 3.36Å; L290-Q292 VanDerWaalsContact C-N 3.31Å; L290-Q292 PolarHBondContact O-N 3.4Å; Q292-R296 WeakPolarHBondContact O-CG 3.44Å
293E93.1Very high92.9Very high36 Ų3649.3 Ų49.317%0.16824%0.24CC..Hα-helixtrans-71.6-43.1-176.7-168.562.5-163.900112.1M289 L290 F297 L338 K341 I343M289-E293 PolarHBondContact O-N 2.86Å; L290-E293 PolarHBondContact O-N 3.17Å; E293-F297 WeakPolarHBondContact O-CE2 3.36Å; E293-L338 HydrophobicContact CG-CD1 4.41Å; E293-L338 HydrophobicContact CG-CD2 4.02Å; E293-K341 IonicContact OE1-NZ 2.92Å; E293-K341 PolarHBondContact OE1-NZ 3.02Å; E293-I343 HydrophobicContact CG-CD1 3.96Å
294F93.8Very high93.1Very high0 Ų053.2 Ų53.20%025%0.253CS..Hα-helixtrans-79.4-29.2179.3-76.2-96.4000112.8L276 L278 L290 R296 F297 L300 V323 F325 A334 L338 M348 L350L276-F294 HydrophobicContact CD1-CE1 4.35Å; L278-F294 HydrophobicContact CD1-CE2 3.87Å; L278-F294 HydrophobicContact CD1-CZ 3.87Å; L278-F294 HydrophobicContact CD2-CE1 3.74Å; L278-F294 HydrophobicContact CD2-CE2 4.13Å; L278-F294 HydrophobicContact CD2-CZ 3.27Å; L278-F294 HydrophobicContact CG-CZ 4.21Å; L290-F294 HydrophobicContact CB-CD2 4.43Å; L290-F294 HydrophobicContact CD2-CD2 4.21Å; L290-F294 HydrophobicContact CD2-CE2 3.81Å; L290-F294 WeakPolarHBondContact O-CB 3.46Å; L290-F294 VanDerWaalsContact O-CD2 3.26Å; L290-F294 WeakPolarHBondContact O-CD2 3.31Å; L290-F294 PolarHBondContact O-N 3.44Å; F294-R296 PolarHBondContact O-N 3.32Å; F294-F297 WeakPolarHBondContact O-CD2 3.34Å; F294-F297 PolarHBondContact O-N 3.08Å; F294-F297 VanDerWaalsContact O-N 3.1Å; F294-L300 HydrophobicContact CB-CD1 4.08Å; F294-L300 HydrophobicContact CB-CD2 4.04Å; F294-V323 HydrophobicContact CB-CG1 4.19Å; F294-V323 HydrophobicContact CD1-CB 4.37Å; F294-V323 HydrophobicContact CD1-CG1 3.99Å; F294-V323 HydrophobicContact CD1-CG2 4.5Å; F294-V323 HydrophobicContact CD2-CG2 4.43Å; F294-V323 HydrophobicContact CG-CG1 4.12Å; F294-V323 HydrophobicContact CG-CG2 4.38Å; F294-F325 HydrophobicContact CB-CZ 4.03Å; F294-F325 AromaticContact CD1-CE2 4Å; F294-F325 HydrophobicContact CD1-CE2 4Å; F294-F325 AromaticContact CD1-CZ 3.94Å; F294-F325 HydrophobicContact CD1-CZ 3.94Å; F294-A334 HydrophobicContact CD1-CB 4.23Å; F294-L338 HydrophobicContact CD1-CD1 3.68Å; F294-L338 HydrophobicContact CD2-CD1 4.09Å; F294-L338 HydrophobicContact CE1-CD1 3.49Å; F294-L338 VanDerWaalsContact CE1-CD1 3.49Å; F294-L338 HydrophobicContact CE2-CD1 3.91Å; F294-L338 HydrophobicContact CG-CD1 3.97Å; F294-L338 HydrophobicContact CZ-CD1 3.58Å; F294-M348 HydrophobicContact CE2-CE 4.26Å; F294-L350 HydrophobicContact CE1-CD2 3.64Å; F294-L350 HydrophobicContact CZ-CD2 3.86Å; F294-L350 HydrophobicContact CZ-CG 4.4Å
295G92.3Very high93.3Very high0 Ų047 Ų470%022%0.224CC..Hα-helixtrans-64.2-22.8179.700000113.8C291 F297 G298 P366C291-G295 WeakPolarHBondContact O-CA 3.2Å; C291-G295 PolarHBondContact O-N 3.17Å; G295-F297 PolarHBondContact O-N 2.82Å; G295-F297 VanDerWaalsContact O-N 3.09Å; G295-G298 WeakPolarHBondContact CA-O 3.49Å; G295-G298 PolarHBondContact O-N 2.75Å; G295-P366 VanDerWaalsContact O-CB 3.23Å; G295-P366 WeakPolarHBondContact O-CB 3.39Å; G295-P366 WeakPolarHBondContact O-CG 3.4Å
296R91.4Very high93.4Very high179 Ų17950.2 Ų50.268%0.67524%0.24SC*.THydrogen-bonded Turntrans-58.5-22.1172.9-63.9170.772157.27.1113.3Q292 F294Q292-R296 WeakPolarHBondContact O-CG 3.44Å; F294-R296 PolarHBondContact O-N 3.32Å
297F92.8Very high93.2Very high35 Ų3552.4 Ų52.415%0.15424%0.242CC..THydrogen-bonded Turntrans-97.1-23.2-177.9-58.6-79.7000113.3E293 F294 G295 F325 R333 A334 N337 L338E293-F297 WeakPolarHBondContact O-CE2 3.36Å; F294-F297 WeakPolarHBondContact O-CD2 3.34Å; F294-F297 PolarHBondContact O-N 3.08Å; F294-F297 VanDerWaalsContact O-N 3.1Å; G295-F297 PolarHBondContact O-N 2.82Å; G295-F297 VanDerWaalsContact O-N 3.09Å; F297-F325 HydrophobicContact CB-CE1 4.15Å; F297-F325 HydrophobicContact CB-CZ 4.39Å; F297-R333 HydrophobicContact CD1-CB 4.24Å; F297-R333 PolarHBondContact O-NH2 3.15Å; F297-A334 HydrophobicContact CB-CB 3.97Å; F297-A334 HydrophobicContact CD1-CB 4.49Å; F297-A334 HydrophobicContact CD2-CB 3.81Å; F297-A334 HydrophobicContact CE2-CB 4.5Å; F297-A334 HydrophobicContact CG-CB 3.81Å; F297-N337 HydrophobicContact CE1-CB 3.57Å; F297-N337 HydrophobicContact CZ-CB 3.67Å; F297-L338 HydrophobicContact CD2-CD1 4.12Å; F297-L338 HydrophobicContact CE2-CD1 3.56Å; F297-L338 HydrophobicContact CE2-CD2 3.88Å; F297-L338 HydrophobicContact CE2-CG 3.59Å; F297-L338 HydrophobicContact CZ-CD1 4.37Å; F297-L338 HydrophobicContact CZ-CD2 4.08Å; F297-L338 HydrophobicContact CZ-CG 3.91Å
298G91.9Very high93Very high2 Ų249.9 Ų49.92%0.02123%0.233CC..SBendtrans167.5179.2-178.700000113.9G295G295-G298 WeakPolarHBondContact CA-O 3.49Å; G295-G298 PolarHBondContact O-N 2.75Å
299P93.8Very high92.8Very high22 Ų2253.4 Ų53.414%0.14324%0.24CC..  trans-74.1136.3178.818.1-5.6000110.7M326 D330 P362 Y364 M369P299-M326 HydrophobicContact CB-CB 4.38Å; P299-M326 HydrophobicContact CB-CG 4.06Å; P299-M326 HydrophobicContact CG-CB 4.08Å; P299-M326 HydrophobicContact CG-CG 4.27Å; P299-M326 PolarHBondContact O-N 3.37Å; P299-D330 VanDerWaalsContact CD-OD2 3.27Å; P299-D330 WeakPolarHBondContact CD-OD2 3.47Å; P299-P362 HydrophobicContact CB-CB 3.98Å; P299-P362 HydrophobicContact CB-CG 4.44Å; P299-Y364 WeakPolarHBondContact CA-O 3.36Å; P299-M369 HydrophobicContact CB-CE 4.3Å; P299-M369 HydrophobicContact CG-CE 3.85Å
300L94.6Very high92.6Very high0 Ų053.6 Ų53.60%024%0.244CC..EExtended strand (participates in β ladder)trans-97.1134.4-176.4-51.4179.1000111.3C291 F294 V303 V323 F325 P362 I363 Y364C291-L300 HydrophobicContact CB-CD1 4.22Å; F294-L300 HydrophobicContact CB-CD1 4.08Å; F294-L300 HydrophobicContact CB-CD2 4.04Å; L300-V303 HydrophobicContact CB-CG2 4.38Å; L300-V303 HydrophobicContact CD1-CG2 3.77Å; L300-V323 HydrophobicContact CD2-CG1 3.9Å; L300-F325 HydrophobicContact CD2-CD1 3.59Å; L300-F325 HydrophobicContact CD2-CD2 4.31Å; L300-F325 HydrophobicContact CD2-CE1 3.31Å; L300-F325 HydrophobicContact CD2-CE2 4.07Å; L300-F325 HydrophobicContact CD2-CG 4.1Å; L300-F325 HydrophobicContact CD2-CZ 3.58Å; L300-P362 CarbonylContact O-C 3.54Å; L300-P362 WeakPolarHBondContact O-CA 3.21Å; L300-P362 WeakPolarHBondContact O-CB 3.36Å; L300-I363 PolarHBondContact O-N 2.9Å; L300-Y364 HydrophobicContact CD1-CD1 4.16Å; L300-Y364 HydrophobicContact CD1-CG 4.38Å; L300-Y364 HydrophobicContact CG-CD1 4.33Å; L300-Y364 PolarHBondContact N-O 3.2Å; L300-Y364 PolarHBondContact O-N 3.28Å
301A94.1Very high92.2Very high1 Ų159.3 Ų59.31%0.00828%0.275CS..EExtended strand (participates in β ladder)trans-85.6-42.5175.200000112.8A324 M326 I358 P359 I363A301-A324 WeakPolarHBondContact CA-O 3.41Å; A301-A324 HydrophobicContact CB-CB 4Å; A301-A324 WeakPolarHBondContact CB-O 3.38Å; A301-A324 PolarHBondContact N-O 3.21Å; A301-M326 HydrophobicContact CB-CE 3.49Å; A301-M326 VanDerWaalsContact CB-CE 3.49Å; A301-M326 HydrophobicContact CB-SD 4.27Å; A301-I358 HydrophobicContact CB-CG2 4.12Å; A301-P359 HydrophobicContact CB-CG 4.33Å; A301-P359 WeakPolarHBondContact O-CG 3.29Å; A301-I363 WeakPolarHBondContact O-CD1 3.22Å; A301-I363 VanDerWaalsContact O-CG1 3.32Å; A301-I363 WeakPolarHBondContact O-CG1 3.44Å
302S93.4Very high91.8Very high47 Ų4765.7 Ų65.733%0.32930%0.304SS..EExtended strand (participates in β ladder)trans-156.9144179.3-168.80000110.6V323 A324S302-V323 CarbonylContact O-C 3.55Å; S302-V323 WeakPolarHBondContact O-CA 3.4Å; S302-A324 PolarHBondContact N-O 3.23Å; S302-A324 PolarHBondContact O-N 3Å
303V95.1Very high91.4Very high22 Ų2263.9 Ų63.913%0.13330%0.295CS..EExtended strand (participates in β ladder)trans-132.8130.3172.61790000107.3E287 L290 L300 V323E287-V303 HydrophobicContact CB-CG1 4.12Å; E287-V303 HydrophobicContact CG-CG1 4.14Å; L290-V303 HydrophobicContact CB-CG1 3.98Å; L290-V303 HydrophobicContact CD1-CG1 4.2Å; L300-V303 HydrophobicContact CB-CG2 4.38Å; L300-V303 HydrophobicContact CD1-CG2 3.77Å; V303-V323 HydrophobicContact CG1-CG2 4.13Å; V303-V323 HydrophobicContact CG2-CG1 4.29Å; V303-V323 HydrophobicContact CG2-CG2 4.18Å
304K94.4Very high90.9Very high122 Ų12269.2 Ų69.253%0.5331%0.314SS..EExtended strand (participates in β ladder)trans-147.6124.4-179.2-176.3171.5-176.7171.70111.7G321 F322K304-G321 CarbonylContact O-C 3.47Å; K304-G321 WeakPolarHBondContact O-CA 3.36Å; K304-F322 PolarHBondContact N-O 2.86Å; K304-F322 PolarHBondContact O-N 3.22Å
305I94.9Very high90.5Very high7 Ų773 Ų734%0.03635%0.345CS..EExtended strand (participates in β ladder)trans-90.6132.2171-63.1171.1000109.5M285 E287 L290 W307 N319M285-I305 WeakPolarHBondContact O-CD1 3.26Å; E287-I305 HydrophobicContact CG-CD1 4.07Å; E287-I305 HydrophobicContact CG-CG1 4.11Å; L290-I305 HydrophobicContact CD1-CD1 3.8Å; L290-I305 HydrophobicContact CD1-CG1 3.65Å; I305-W307 HydrophobicContact CB-CZ2 4.5Å; I305-W307 HydrophobicContact CG2-CD2 4.18Å; I305-W307 HydrophobicContact CG2-CZ2 4.18Å; I305-N319 HydrophobicContact CG2-CB 4.2Å
306M93.2Very high90.1Very high74 Ų7479.3 Ų79.337%0.36537%0.368SS..EExtended strand (participates in β ladder)trans-92.397.9172.7-67.7-63.9-63.400108.8C320 F322M306-C320 WeakPolarHBondContact CA-O 3.17Å; M306-C320 HydrophobicContact CB-CB 4.49Å; M306-C320 WeakPolarHBondContact CB-O 3.46Å; M306-C320 PolarHBondContact N-O 3.35Å; M306-F322 HydrophobicContact CG-CD2 4.14Å; M306-F322 HydrophobicContact CG-CE2 3.99Å
307W90.6Very high89.9Confident130 Ų13077.6 Ų77.649%0.49237%0.368SS..  trans-69.6139.6175.8-58.794.3000111I305 R309 N319I305-W307 HydrophobicContact CB-CZ2 4.5Å; I305-W307 HydrophobicContact CG2-CD2 4.18Å; I305-W307 HydrophobicContact CG2-CZ2 4.18Å; W307-R309 PolarHBondContact O-N 2.9Å; W307-N319 WeakPolarHBondContact CZ3-ND2 3.33Å
308P88.5Confident89.7Confident30 Ų3081 Ų8120%0.19538%0.38CS..  trans-59.5128.8-179.324.5-33.9000110.3E313 R314 N319P308-E313 HydrophobicContact CB-CB 3.59Å; P308-R314 HydrophobicContact CB-CB 4.43Å; P308-R314 HydrophobicContact CG-CB 4.47Å; P308-N319 WeakPolarHBondContact CD-OD1 3.4Å
309R88Confident89.7Confident220 Ų22081.3 Ų81.383%0.8338%0.381SS*.  trans-95.8-23.3-179.5-66.9-170.7178.6-164.8-1112.3W307 E313W307-R309 PolarHBondContact O-N 2.9Å; R309-E313 PolarHBondContact N-OE2 3.2Å
310T89.6Confident89.7Confident66 Ų6682.1 Ų82.141%0.40539%0.387SS..SBendtrans-112.8155.6-178.360.60000111.4E312 E313 R314T310-E312 VanDerWaalsContact C-N 3.26Å; T310-E312 PolarHBondContact O-N 2.9Å; T310-E313 PolarHBondContact N-OE2 3.28Å; T310-E313 VanDerWaalsContact N-OE2 3.11Å; T310-E313 PolarHBondContact O-N 2.86Å; T310-E313 WeakPolarHBondContact OG1-CB 3.36Å; T310-E313 VanDerWaalsContact OG1-CD 3.22Å; T310-E313 WeakPolarHBondContact OG1-CG 3.47Å; T310-E313 PolarHBondContact OG1-N 2.94Å; T310-E313 PolarHBondContact OG1-OE2 2.74Å; T310-R314 PolarHBondContact O-N 3.22Å
311D85.1Confident89.7Confident122 Ų12282.1 Ų82.165%0.65239%0.387SS*.Hα-helixtrans-66.8-29.6178.1-67.8-38.2000112.2R314 A315D311-R314 PolarHBondContact O-N 3.01Å; D311-R314 IonicContact OD1-NH1 3.75Å; D311-R314 PolarHBondContact OD1-NH1 2.84Å; D311-A315 WeakPolarHBondContact O-CB 3.15Å; D311-A315 PolarHBondContact O-N 3.21Å
312E84.9Confident89.8Confident149 Ų14985.4 Ų85.470%0.69640%0.401SS*.Hα-helixtrans-64.4-39.3173-67.5174.1-177.100112.4T310T310-E312 VanDerWaalsContact C-N 3.26Å; T310-E312 PolarHBondContact O-N 2.9Å
313E83Confident89.9Confident77 Ų7783.2 Ų83.236%0.3639%0.386SS..Hα-helixtrans-71.6-35.9174.1-70.3167.8146.200111.5P308 R309 T310 A315 R316P308-E313 HydrophobicContact CB-CB 3.59Å; R309-E313 PolarHBondContact N-OE2 3.2Å; T310-E313 PolarHBondContact N-OE2 3.28Å; T310-E313 VanDerWaalsContact N-OE2 3.11Å; T310-E313 PolarHBondContact O-N 2.86Å; T310-E313 WeakPolarHBondContact OG1-CB 3.36Å; T310-E313 VanDerWaalsContact OG1-CD 3.22Å; T310-E313 WeakPolarHBondContact OG1-CG 3.47Å; T310-E313 PolarHBondContact OG1-N 2.94Å; T310-E313 PolarHBondContact OG1-OE2 2.74Å; E313-A315 VanDerWaalsContact C-N 3.31Å; E313-A315 PolarHBondContact O-N 3.38Å; E313-R316 WeakPolarHBondContact O-CB 3.43Å; E313-R316 PolarHBondContact O-N 2.97Å
314R84.5Confident89.9Confident149 Ų14982.3 Ų82.356%0.56238%0.38SS*.Hα-helixtrans-64.8-37.9175.1-170.4176.6-70.3141.1-2.3111.6P308 T310 D311 R316 E317P308-R314 HydrophobicContact CB-CB 4.43Å; P308-R314 HydrophobicContact CG-CB 4.47Å; T310-R314 PolarHBondContact O-N 3.22Å; D311-R314 PolarHBondContact O-N 3.01Å; D311-R314 IonicContact OD1-NH1 3.75Å; D311-R314 PolarHBondContact OD1-NH1 2.84Å; R314-R316 PolarHBondContact O-N 3.44Å; R314-E317 PolarHBondContact O-N 3.12Å
315A85Confident89.9Confident79 Ų7976.5 Ų76.565%0.65336%0.355SS*.THydrogen-bonded Turntrans-65.8-15.7175.900000113.9D311 E313 E317D311-A315 WeakPolarHBondContact O-CB 3.15Å; D311-A315 PolarHBondContact O-N 3.21Å; E313-A315 VanDerWaalsContact C-N 3.31Å; E313-A315 PolarHBondContact O-N 3.38Å; A315-E317 VanDerWaalsContact C-N 3.27Å
316R83.8Confident89.8Confident132 Ų13277.7 Ų77.750%0.49836%0.361SS..THydrogen-bonded Turntrans-79-9.3176-75.5174.4-171.2169.48.4113.7E313 R314 R318E313-R316 WeakPolarHBondContact O-CB 3.43Å; E313-R316 PolarHBondContact O-N 2.97Å; R314-R316 PolarHBondContact O-N 3.44Å; R316-R318 HydrophobicContact CB-CG 4.14Å; R316-R318 VanDerWaalsContact CB-NH1 3.33Å; R316-R318 WeakPolarHBondContact O-CG 3.41Å; R316-R318 PolarHBondContact O-N 2.93Å; R316-R318 PolarHBondContact O-NH1 3.08Å; R316-R318 VanDerWaalsContact O-NH1 3.08Å
317E86.4Confident89.8Confident144 Ų14478.3 Ų78.367%0.67337%0.366SS*.THydrogen-bonded Turntrans49.529.4177.7-60.2-173.616200114.4P283 R314 A315P283-E317 WeakPolarHBondContact CD-O 3.44Å; R314-E317 PolarHBondContact O-N 3.12Å; A315-E317 VanDerWaalsContact C-N 3.27Å
318R89.5Confident89.8Confident107 Ų10773.9 Ų73.940%0.40435%0.349SS..  trans-141.9140.6179.766.8-170.5173.5-968.1110.7N280 R316N280-R318 WeakPolarHBondContact OD1-CD 3.16Å; R316-R318 HydrophobicContact CB-CG 4.14Å; R316-R318 VanDerWaalsContact CB-NH1 3.33Å; R316-R318 WeakPolarHBondContact O-CG 3.41Å; R316-R318 PolarHBondContact O-N 2.93Å; R316-R318 PolarHBondContact O-NH1 3.08Å; R316-R318 VanDerWaalsContact O-NH1 3.08Å
319N92Very high90Very high7 Ų782.1 Ų82.14%0.03738%0.376CS..EExtended strand (participates in β ladder)trans-98.4160.3176.1-71.5-10.4000110.6N280 I281 P283 I305 W307 P308N280-N319 PolarHBondContact N-O 2.74Å; I281-N319 HydrophobicContact CB-CB 4.31Å; I281-N319 PolarHBondContact N-O 2.8Å; I281-N319 PolarHBondContact O-N 3.28Å; P283-N319 WeakPolarHBondContact CA-ND2 3.32Å; I305-N319 HydrophobicContact CG2-CB 4.2Å; W307-N319 WeakPolarHBondContact CZ3-ND2 3.33Å; P308-N319 WeakPolarHBondContact CD-OD1 3.4Å
320C93.4Very high90.3Very high39 Ų3972.5 Ų72.526%0.26434%0.341SS..EExtended strand (participates in β ladder)trans-119.1163.9168.9-600000108.8Y277 L278 M306Y277-C320 HydrophobicContact CE2-CB 3.97Å; Y277-C320 PolarHBondContact OH-SG 3.44Å; L278-C320 CarbonylContact O-C 3.45Å; L278-C320 WeakPolarHBondContact O-CA 3.38Å; M306-C320 WeakPolarHBondContact CA-O 3.17Å; M306-C320 HydrophobicContact CB-CB 4.49Å; M306-C320 WeakPolarHBondContact CB-O 3.46Å; M306-C320 PolarHBondContact N-O 3.35Å
321G94.6Very high90.5Very high0 Ų069.3 Ų69.30%032%0.322CS..EExtended strand (participates in β ladder)trans-163.9179.1179.900000112.8L278 K304L278-G321 PolarHBondContact N-O 2.83Å; L278-G321 PolarHBondContact O-N 2.81Å; K304-G321 CarbonylContact O-C 3.47Å; K304-G321 WeakPolarHBondContact O-CA 3.36Å
322F95.6Very high90.9Very high71 Ų7166.7 Ų66.731%0.31131%0.306SS..EExtended strand (participates in β ladder)trans-135.2141176.2-65.2-83.3000110.2L276 Y277 K304 M306L276-F322 CarbonylContact O-C 3.58Å; L276-F322 VanDerWaalsContact O-CA 3.27Å; L276-F322 WeakPolarHBondContact O-CA 3.21Å; Y277-F322 HydrophobicContact CD2-CD1 4.24Å; Y277-F322 AromaticContact CD2-CE1 3.61Å; Y277-F322 HydrophobicContact CD2-CE1 3.61Å; Y277-F322 HydrophobicContact CD2-CE2 4.47Å; Y277-F322 AromaticContact CD2-CZ 3.74Å; Y277-F322 HydrophobicContact CD2-CZ 3.74Å; Y277-F322 HydrophobicContact CE2-CZ 4.36Å; Y277-F322 HydrophobicContact CG-CE1 4.27Å; K304-F322 PolarHBondContact N-O 2.86Å; K304-F322 PolarHBondContact O-N 3.22Å; M306-F322 HydrophobicContact CG-CD2 4.14Å; M306-F322 HydrophobicContact CG-CE2 3.99Å
323V95.7Very high91.3Very high0 Ų065.9 Ų65.90%030%0.296CS..EExtended strand (participates in β ladder)trans-132.7118.4174.2174.20000108.7N275 L276 L278 F294 L300 S302 V303 F325N275-V323 PolarHBondContact OD1-O 2.94Å; L276-V323 PolarHBondContact N-O 2.75Å; L276-V323 PolarHBondContact O-N 3.49Å; L278-V323 HydrophobicContact CD1-CB 4.48Å; L278-V323 HydrophobicContact CD1-CG2 3.51Å; L278-V323 HydrophobicContact CG-CG2 4.19Å; F294-V323 HydrophobicContact CB-CG1 4.19Å; F294-V323 HydrophobicContact CD1-CB 4.37Å; F294-V323 HydrophobicContact CD1-CG1 3.99Å; F294-V323 HydrophobicContact CD1-CG2 4.5Å; F294-V323 HydrophobicContact CD2-CG2 4.43Å; F294-V323 HydrophobicContact CG-CG1 4.12Å; F294-V323 HydrophobicContact CG-CG2 4.38Å; L300-V323 HydrophobicContact CD2-CG1 3.9Å; S302-V323 CarbonylContact O-C 3.55Å; S302-V323 WeakPolarHBondContact O-CA 3.4Å; V303-V323 HydrophobicContact CG1-CG2 4.13Å; V303-V323 HydrophobicContact CG2-CG1 4.29Å; V303-V323 HydrophobicContact CG2-CG2 4.18Å; V323-F325 HydrophobicContact CG1-CD2 4.3Å; V323-F325 HydrophobicContact CG1-CE2 3.89Å; V323-F325 HydrophobicContact CG1-CZ 4.49Å
324A95.1Very high91.9Very high3 Ų362.2 Ų62.23%0.02528%0.279CS..EExtended strand (participates in β ladder)trans-101133.6172.800000110.3T274 N275 A301 S302T274-A324 WeakPolarHBondContact O-CA 3.36Å; N275-A324 HydrophobicContact CB-CB 4.34Å; A301-A324 WeakPolarHBondContact CA-O 3.41Å; A301-A324 HydrophobicContact CB-CB 4Å; A301-A324 WeakPolarHBondContact CB-O 3.38Å; A301-A324 PolarHBondContact N-O 3.21Å; S302-A324 PolarHBondContact N-O 3.23Å; S302-A324 PolarHBondContact O-N 3Å
325F95.3Very high92.3Very high0 Ų056.3 Ų56.30%026%0.259CS..EExtended strand (participates in β ladder)trans-93.8159.7171.3-75.5-97000111.2T274 L276 F294 F297 L300 V323 N327 D330 A331 A334T274-F325 WeakPolarHBondContact CB-O 3.46Å; T274-F325 PolarHBondContact O-N 2.94Å; T274-F325 PolarHBondContact OG1-O 3.11Å; L276-F325 HydrophobicContact CD1-CD2 4.27Å; L276-F325 HydrophobicContact CD1-CE2 3.78Å; F294-F325 HydrophobicContact CB-CZ 4.03Å; F294-F325 AromaticContact CD1-CE2 4Å; F294-F325 HydrophobicContact CD1-CE2 4Å; F294-F325 AromaticContact CD1-CZ 3.94Å; F294-F325 HydrophobicContact CD1-CZ 3.94Å; F297-F325 HydrophobicContact CB-CE1 4.15Å; F297-F325 HydrophobicContact CB-CZ 4.39Å; L300-F325 HydrophobicContact CD2-CD1 3.59Å; L300-F325 HydrophobicContact CD2-CD2 4.31Å; L300-F325 HydrophobicContact CD2-CE1 3.31Å; L300-F325 HydrophobicContact CD2-CE2 4.07Å; L300-F325 HydrophobicContact CD2-CG 4.1Å; L300-F325 HydrophobicContact CD2-CZ 3.58Å; V323-F325 HydrophobicContact CG1-CD2 4.3Å; V323-F325 HydrophobicContact CG1-CE2 3.89Å; V323-F325 HydrophobicContact CG1-CZ 4.49Å; F325-N327 VanDerWaalsContact C-N 3.3Å; F325-N327 WeakPolarHBondContact CB-O 3.29Å; F325-D330 HydrophobicContact CB-CB 4.44Å; F325-D330 HydrophobicContact CD1-CB 3.6Å; F325-D330 HydrophobicContact CE1-CB 4.15Å; F325-D330 HydrophobicContact CG-CB 4.21Å; F325-A331 HydrophobicContact CB-CB 4.1Å; F325-A331 HydrophobicContact CD2-CB 3.63Å; F325-A331 HydrophobicContact CE2-CB 4.37Å; F325-A331 HydrophobicContact CG-CB 4.04Å; F325-A334 HydrophobicContact CE1-CB 4.44Å; F325-A334 HydrophobicContact CE2-CB 3.81Å; F325-A334 HydrophobicContact CZ-CB 3.51Å
326M92.6Very high92.8Very high33 Ų3360.4 Ų60.416%0.16326%0.262CS..SBendtrans-67.4-34.3167.4-73.4-68.5152.300112P299 A301 I358 P359 P362P299-M326 HydrophobicContact CB-CB 4.38Å; P299-M326 HydrophobicContact CB-CG 4.06Å; P299-M326 HydrophobicContact CG-CB 4.08Å; P299-M326 HydrophobicContact CG-CG 4.27Å; P299-M326 PolarHBondContact O-N 3.37Å; A301-M326 HydrophobicContact CB-CE 3.49Å; A301-M326 VanDerWaalsContact CB-CE 3.49Å; A301-M326 HydrophobicContact CB-SD 4.27Å; M326-I358 HydrophobicContact CE-CG2 3.83Å; M326-I358 HydrophobicContact SD-CG2 3.36Å; M326-I358 WeakPolarHBondContact SD-CG2 3.4Å; M326-P359 HydrophobicContact CE-CG 3.87Å; M326-P359 WeakPolarHBondContact CE-O 3.25Å; M326-P362 HydrophobicContact CE-CB 3.89Å; M326-P362 HydrophobicContact CG-CB 4.03Å
327N91.6Very high93.2Very high87 Ų8759.1 Ų59.147%0.46527%0.265SS..SBendtrans-124.7135.9-174.4-63.875.8000111.1F325 R329 D330 A331F325-N327 VanDerWaalsContact C-N 3.3Å; F325-N327 WeakPolarHBondContact CB-O 3.29Å; N327-R329 VanDerWaalsContact C-N 3.31Å; N327-R329 PolarHBondContact O-N 3.19Å; N327-D330 HydrophobicContact CB-CB 4.45Å; N327-D330 PolarHBondContact O-N 2.9Å; N327-D330 VanDerWaalsContact O-N 3.16Å; N327-A331 PolarHBondContact O-N 2.87Å
328R91.9Very high93.6Very high37 Ų3752.2 Ų52.214%0.1423%0.233CC..Hα-helixtrans-57.6-42176.6172.467.7-174.4-164.2-10.2112.4D267 P271 T273 T274 D330 A331 E332 W352D267-R328 IonicContact OD1-CZ 3.12Å; D267-R328 IonicContact OD1-NH1 2.95Å; D267-R328 IonicContact OD1-NH2 2.75Å; D267-R328 PolarHBondContact OD1-NH2 3.15Å; P271-R328 WeakPolarHBondContact O-CB 3.5Å; P271-R328 WeakPolarHBondContact O-CG 3.17Å; T273-R328 WeakPolarHBondContact O-CD 3.48Å; T273-R328 PolarHBondContact O-NH1 3.19Å; T273-R328 PolarHBondContact OG1-NH1 3.22Å; T274-R328 HydrophobicContact CG2-CB 4.26Å; R328-D330 PolarHBondContact O-N 3.49Å; R328-A331 WeakPolarHBondContact O-CB 3.36Å; R328-A331 PolarHBondContact O-N 3.44Å; R328-E332 WeakPolarHBondContact CG-OE1 3.47Å; R328-E332 IonicContact CZ-OE1 2.71Å; R328-E332 IonicContact NE-OE1 3.91Å; R328-E332 PolarHBondContact NE-OE1 3.45Å; R328-E332 IonicContact NH2-OE1 2.93Å; R328-E332 PolarHBondContact O-N 3.47Å; R328-W352 VanDerWaalsContact NH2-CE2 3.3Å
329R92.4Very high93.8Very high202 Ų20251.3 Ų51.376%0.76224%0.235SC*.Hα-helixtrans-59.4-33.7179.6-63.9-165.3-170.3174.44.7112.4N327 R333N327-R329 VanDerWaalsContact C-N 3.31Å; N327-R329 PolarHBondContact O-N 3.19Å; R329-R333 WeakPolarHBondContact O-CG 3.42Å; R329-R333 PolarHBondContact O-N 2.89Å; R329-R333 VanDerWaalsContact O-N 3.1Å
330D93.6Very high93.8Very high18 Ų1852.7 Ų52.710%0.09625%0.252CS..Hα-helixtrans-74.8-40.8-180-61.7-12.5000110.7P299 F325 N327 R328 E332 R333 A334P299-D330 VanDerWaalsContact CD-OD2 3.27Å; P299-D330 WeakPolarHBondContact CD-OD2 3.47Å; F325-D330 HydrophobicContact CB-CB 4.44Å; F325-D330 HydrophobicContact CD1-CB 3.6Å; F325-D330 HydrophobicContact CE1-CB 4.15Å; F325-D330 HydrophobicContact CG-CB 4.21Å; N327-D330 HydrophobicContact CB-CB 4.45Å; N327-D330 PolarHBondContact O-N 2.9Å; N327-D330 VanDerWaalsContact O-N 3.16Å; R328-D330 PolarHBondContact O-N 3.49Å; D330-E332 VanDerWaalsContact C-N 3.33Å; D330-E332 PolarHBondContact O-N 2.81Å; D330-R333 PolarHBondContact O-N 3.32Å; D330-R333 IonicContact OD1-CZ 3.52Å; D330-R333 IonicContact OD1-NE 3.6Å; D330-R333 IonicContact OD1-NH2 2.66Å; D330-R333 PolarHBondContact OD1-NH2 3.43Å; D330-A334 WeakPolarHBondContact O-CB 3.45Å; D330-A334 PolarHBondContact O-N 2.92Å
331A93.7Very high93.8Very high0 Ų054.8 Ų54.80%026%0.256CS..Hα-helixtrans-59.3-42.9171.900000111.9L276 F325 N327 R328 R333 A334 L335 W352L276-A331 HydrophobicContact CD1-CB 4.3Å; L276-A331 HydrophobicContact CD2-CB 4.28Å; L276-A331 HydrophobicContact CG-CB 4.2Å; F325-A331 HydrophobicContact CB-CB 4.1Å; F325-A331 HydrophobicContact CD2-CB 3.63Å; F325-A331 HydrophobicContact CE2-CB 4.37Å; F325-A331 HydrophobicContact CG-CB 4.04Å; N327-A331 PolarHBondContact O-N 2.87Å; R328-A331 WeakPolarHBondContact O-CB 3.36Å; R328-A331 PolarHBondContact O-N 3.44Å; A331-R333 PolarHBondContact O-N 3.12Å; A331-A334 PolarHBondContact O-N 2.77Å; A331-L335 VanDerWaalsContact O-CB 3.29Å; A331-L335 WeakPolarHBondContact O-CB 3.38Å; A331-L335 PolarHBondContact O-N 3.26Å; A331-W352 HydrophobicContact CB-CH2 3.87Å; A331-W352 HydrophobicContact CB-CZ3 3.74Å
332E93.4Very high93.7Very high67 Ų6760.3 Ų60.331%0.31328%0.284SS..Hα-helixtrans-62.9-40.8176.3-75.7173.8-166.300112.4R328 D330 K336 W352R328-E332 WeakPolarHBondContact CG-OE1 3.47Å; R328-E332 IonicContact CZ-OE1 2.71Å; R328-E332 IonicContact NE-OE1 3.91Å; R328-E332 PolarHBondContact NE-OE1 3.45Å; R328-E332 IonicContact NH2-OE1 2.93Å; R328-E332 PolarHBondContact O-N 3.47Å; D330-E332 VanDerWaalsContact C-N 3.33Å; D330-E332 PolarHBondContact O-N 2.81Å; E332-K336 WeakPolarHBondContact O-CG 3.28Å; E332-K336 PolarHBondContact O-N 3.22Å; E332-K336 VanDerWaalsContact O-N 3.08Å; E332-W352 HydrophobicContact CB-CH2 4.4Å; E332-W352 HydrophobicContact CB-CZ2 4.48Å; E332-W352 HydrophobicContact CG-CH2 3.64Å; E332-W352 HydrophobicContact CG-CZ2 3.61Å
333R94.4Very high93.4Very high131 Ų13158 Ų5849%0.49427%0.274SS..Hα-helixtrans-64.1-45.8175.5-74-171-65.2164.2-2111.1F297 R329 D330 A331 K336 N337F297-R333 HydrophobicContact CD1-CB 4.24Å; F297-R333 PolarHBondContact O-NH2 3.15Å; R329-R333 WeakPolarHBondContact O-CG 3.42Å; R329-R333 PolarHBondContact O-N 2.89Å; R329-R333 VanDerWaalsContact O-N 3.1Å; D330-R333 PolarHBondContact O-N 3.32Å; D330-R333 IonicContact OD1-CZ 3.52Å; D330-R333 IonicContact OD1-NE 3.6Å; D330-R333 IonicContact OD1-NH2 2.66Å; D330-R333 PolarHBondContact OD1-NH2 3.43Å; A331-R333 PolarHBondContact O-N 3.12Å; R333-K336 PolarHBondContact O-N 2.96Å; R333-N337 PolarHBondContact O-N 2.95Å; R333-N337 PolarHBondContact O-ND2 3.41Å
334A94.9Very high93.1Very high0 Ų062.1 Ų62.10%030%0.295CS..Hα-helixtrans-61.9-46.7177.100000111.4L276 F294 F297 F325 D330 A331 K336 N337 L338L276-A334 HydrophobicContact CD1-CB 4.13Å; F294-A334 HydrophobicContact CD1-CB 4.23Å; F297-A334 HydrophobicContact CB-CB 3.97Å; F297-A334 HydrophobicContact CD1-CB 4.49Å; F297-A334 HydrophobicContact CD2-CB 3.81Å; F297-A334 HydrophobicContact CE2-CB 4.5Å; F297-A334 HydrophobicContact CG-CB 3.81Å; F325-A334 HydrophobicContact CE1-CB 4.44Å; F325-A334 HydrophobicContact CE2-CB 3.81Å; F325-A334 HydrophobicContact CZ-CB 3.51Å; D330-A334 WeakPolarHBondContact O-CB 3.45Å; D330-A334 PolarHBondContact O-N 2.92Å; A331-A334 PolarHBondContact O-N 2.77Å; A334-K336 VanDerWaalsContact C-N 3.34Å; A334-K336 PolarHBondContact O-N 3.4Å; A334-N337 PolarHBondContact O-N 3.43Å; A334-L338 HydrophobicContact CB-CD1 4.48Å; A334-L338 WeakPolarHBondContact O-CB 3.28Å; A334-L338 PolarHBondContact O-N 2.92Å
335L94.2Very high92.9Very high26 Ų2667.2 Ų67.214%0.13633%0.33CS..Hα-helixtrans-56.4-46.4178-179.662000111.7L276 A331 N337 N339 L350 W352L276-L335 HydrophobicContact CD1-CB 4.45Å; L276-L335 HydrophobicContact CD2-CB 4.18Å; L276-L335 HydrophobicContact CD2-CD1 4.46Å; L276-L335 HydrophobicContact CD2-CD2 4.45Å; A331-L335 VanDerWaalsContact O-CB 3.29Å; A331-L335 WeakPolarHBondContact O-CB 3.38Å; A331-L335 PolarHBondContact O-N 3.26Å; L335-N337 VanDerWaalsContact C-N 3.35Å; L335-N337 PolarHBondContact O-N 3.25Å; L335-N339 HydrophobicContact CD1-CB 4.47Å; L335-N339 WeakPolarHBondContact O-CB 3.48Å; L335-N339 PolarHBondContact O-N 2.98Å; L335-L350 HydrophobicContact CD1-CB 3.4Å; L335-L350 HydrophobicContact CD1-CD2 4.46Å; L335-W352 HydrophobicContact CD2-CD2 4.03Å; L335-W352 HydrophobicContact CD2-CG 4.41Å; L335-W352 HydrophobicContact CD2-CH2 4.27Å; L335-W352 HydrophobicContact CD2-CZ2 3.48Å; L335-W352 VanDerWaalsContact CD2-CZ2 3.48Å
336K93.9Very high92.8Very high165 Ų16569.9 Ų69.972%0.71734%0.342SS*.Hα-helixtrans-67.2-31.4-179.6-72173.3-175.4174.70113.9E332 R333 A334E332-K336 WeakPolarHBondContact O-CG 3.28Å; E332-K336 PolarHBondContact O-N 3.22Å; E332-K336 VanDerWaalsContact O-N 3.08Å; R333-K336 PolarHBondContact O-N 2.96Å; A334-K336 VanDerWaalsContact C-N 3.34Å; A334-K336 PolarHBondContact O-N 3.4Å
337N93.8Very high92.9Very high104 Ų10472.4 Ų72.456%0.55635%0.353SS*.Hα-helixtrans-96.8-28.8-173.4-75.3-87.3000113.9F297 R333 A334 L335F297-N337 HydrophobicContact CE1-CB 3.57Å; F297-N337 HydrophobicContact CZ-CB 3.67Å; R333-N337 PolarHBondContact O-N 2.95Å; R333-N337 PolarHBondContact O-ND2 3.41Å; A334-N337 PolarHBondContact O-N 3.43Å; L335-N337 VanDerWaalsContact C-N 3.35Å; L335-N337 PolarHBondContact O-N 3.25Å
338L93.6Very high93Very high0 Ų068.4 Ų68.40%033%0.332CS..Hα-helixtrans-100.7-17.7-175.9-64.2179.4000113.3E293 F294 F297 A334 G340 K341 L350E293-L338 HydrophobicContact CG-CD1 4.41Å; E293-L338 HydrophobicContact CG-CD2 4.02Å; F294-L338 HydrophobicContact CD1-CD1 3.68Å; F294-L338 HydrophobicContact CD2-CD1 4.09Å; F294-L338 HydrophobicContact CE1-CD1 3.49Å; F294-L338 VanDerWaalsContact CE1-CD1 3.49Å; F294-L338 HydrophobicContact CE2-CD1 3.91Å; F294-L338 HydrophobicContact CG-CD1 3.97Å; F294-L338 HydrophobicContact CZ-CD1 3.58Å; F297-L338 HydrophobicContact CD2-CD1 4.12Å; F297-L338 HydrophobicContact CE2-CD1 3.56Å; F297-L338 HydrophobicContact CE2-CD2 3.88Å; F297-L338 HydrophobicContact CE2-CG 3.59Å; F297-L338 HydrophobicContact CZ-CD1 4.37Å; F297-L338 HydrophobicContact CZ-CD2 4.08Å; F297-L338 HydrophobicContact CZ-CG 3.91Å; A334-L338 HydrophobicContact CB-CD1 4.48Å; A334-L338 WeakPolarHBondContact O-CB 3.28Å; A334-L338 PolarHBondContact O-N 2.92Å; L338-G340 PolarHBondContact O-N 3.24Å; L338-K341 HydrophobicContact CD2-CD 3.72Å; L338-K341 VanDerWaalsContact O-CB 3.3Å; L338-K341 WeakPolarHBondContact O-CB 3.31Å; L338-K341 PolarHBondContact O-N 3.11Å; L338-K341 VanDerWaalsContact O-N 3.1Å; L338-L350 HydrophobicContact CB-CD1 4.12Å; L338-L350 HydrophobicContact CB-CD2 3.74Å; L338-L350 WeakPolarHBondContact O-CD1 3.25Å
339N94.2Very high93Very high87 Ų8772.4 Ų72.447%0.46535%0.35SS..THydrogen-bonded Turntrans-67.2122.2176.4-166.726.1000111.2L335 K341 L350L335-N339 HydrophobicContact CD1-CB 4.47Å; L335-N339 WeakPolarHBondContact O-CB 3.48Å; L335-N339 PolarHBondContact O-N 2.98Å; N339-K341 VanDerWaalsContact C-N 3.31Å; N339-L350 HydrophobicContact CB-CB 4.11Å; N339-L350 PolarHBondContact OD1-N 3.37Å; N339-L350 PolarHBondContact OD1-O 3.03Å
340G92.3Very high93.2Very high37 Ų3763.4 Ų63.438%0.38132%0.317SS..THydrogen-bonded Turntrans80.37.8-174.700000114.1L338 M348L338-G340 PolarHBondContact O-N 3.24Å; G340-M348 PolarHBondContact N-O 3.34Å
341K92.8Very high93.1Very high82 Ų8263.5 Ų63.536%0.35732%0.322SS..EExtended strand (participates in β ladder)trans-80.5134.1179-170178.8177.3-175.40110.8E293 L338 N339 I343 M348E293-K341 IonicContact OE1-NZ 2.92Å; E293-K341 PolarHBondContact OE1-NZ 3.02Å; L338-K341 HydrophobicContact CD2-CD 3.72Å; L338-K341 VanDerWaalsContact O-CB 3.3Å; L338-K341 WeakPolarHBondContact O-CB 3.31Å; L338-K341 PolarHBondContact O-N 3.11Å; L338-K341 VanDerWaalsContact O-N 3.1Å; N339-K341 VanDerWaalsContact C-N 3.31Å; K341-I343 HydrophobicContact CD-CD1 4.37Å; K341-I343 HydrophobicContact CD-CG1 4.42Å; K341-I343 HydrophobicContact CG-CG1 4.34Å; K341-I343 PolarHBondContact O-N 3.29Å; K341-M348 PolarHBondContact O-N 3.38Å
342M93.1Very high93.1Very high116 Ų11664.2 Ų64.257%0.57133%0.325SS*.EExtended strand (participates in β ladder)trans-77.9114.3174.1-162.266.762.700110.5F346 E347M342-F346 WeakPolarHBondContact CA-O 3.35Å; M342-E347 HydrophobicContact CE-CB 3.98Å; M342-E347 HydrophobicContact SD-CB 4.26Å; M342-E347 PolarHBondContact SD-N 2.98Å; M342-E347 VanDerWaalsContact SD-N 3.44Å
343I89.9Confident93Very high22 Ų2261 Ų6111%0.11331%0.31CS..EExtended strand (participates in β ladder)trans-125121.7177.8-67.8166000108.2M285 E293 K341 S345 F346 M348M285-I343 HydrophobicContact CE-CG2 3.98Å; M285-I343 HydrophobicContact SD-CG2 4.25Å; E293-I343 HydrophobicContact CG-CD1 3.96Å; K341-I343 HydrophobicContact CD-CD1 4.37Å; K341-I343 HydrophobicContact CD-CG1 4.42Å; K341-I343 HydrophobicContact CG-CG1 4.34Å; K341-I343 PolarHBondContact O-N 3.29Å; I343-S345 PolarHBondContact O-N 2.98Å; I343-F346 PolarHBondContact N-O 2.95Å; I343-F346 PolarHBondContact O-N 3.02Å; I343-M348 HydrophobicContact CB-CE 4.34Å; I343-M348 HydrophobicContact CD1-CE 3.33Å; I343-M348 HydrophobicContact CG1-CE 4.38Å
344M88.6Confident92.7Very high88 Ų8861.7 Ų61.743%0.43332%0.316SS..THydrogen-bonded Turntrans50.241.2-176.9-55.3177.472.600113.2N282 Q284 M285 M289 F346N282-M344 HydrophobicContact CB-CB 4.18Å; N282-M344 VanDerWaalsContact ND2-CB 3.31Å; N282-M344 WeakPolarHBondContact ND2-CB 3.47Å; N282-M344 PolarHBondContact ND2-O 3.03Å; Q284-M344 HydrophobicContact CB-CE 4.3Å; M285-M344 HydrophobicContact CG-SD 4.5Å; M289-M344 HydrophobicContact CE-CE 4.48Å; M289-M344 HydrophobicContact CE-SD 4.05Å; M289-M344 HydrophobicContact SD-SD 4.39Å; M344-F346 VanDerWaalsContact C-N 3.27Å; M344-F346 WeakPolarHBondContact O-CD2 3.32Å; M344-F346 PolarHBondContact O-N 2.75Å
345S91.4Very high92.4Very high110 Ų11064.5 Ų64.577%0.76934%0.34SS*.THydrogen-bonded Turntrans69.511.1-177.2-48.10000116.4I343I343-S345 PolarHBondContact O-N 2.98Å
346F92.2Very high92.1Very high56 Ų5666.2 Ų66.225%0.24635%0.351CS..EExtended strand (participates in β ladder)trans-115132.5171.7-72.4-103.4000110.6N282 M342 I343 M344 M348N282-F346 HydrophobicContact CB-CB 4.42Å; N282-F346 HydrophobicContact CB-CD2 3.58Å; N282-F346 HydrophobicContact CB-CE2 4.04Å; N282-F346 HydrophobicContact CB-CG 4.09Å; N282-F346 WeakPolarHBondContact ND2-CD2 3.45Å; N282-F346 WeakPolarHBondContact ND2-CE2 3.3Å; M342-F346 WeakPolarHBondContact CA-O 3.35Å; I343-F346 PolarHBondContact N-O 2.95Å; I343-F346 PolarHBondContact O-N 3.02Å; M344-F346 VanDerWaalsContact C-N 3.27Å; M344-F346 WeakPolarHBondContact O-CD2 3.32Å; M344-F346 PolarHBondContact O-N 2.75Å; F346-M348 PolarHBondContact O-N 3.07Å
347E94.3Very high91.8Very high85 Ų8564 Ų6440%0.39735%0.354SS..EExtended strand (participates in β ladder)trans-78.6109175.2-171.5-166.9156.400109.8N280 M342 K349N280-E347 WeakPolarHBondContact CB-O 3.43Å; N280-E347 PolarHBondContact ND2-O 2.83Å; M342-E347 HydrophobicContact CE-CB 3.98Å; M342-E347 HydrophobicContact SD-CB 4.26Å; M342-E347 PolarHBondContact SD-N 2.98Å; M342-E347 VanDerWaalsContact SD-N 3.44Å; E347-K349 PolarHBondContact O-N 3.34Å
348M93.5Very high91.6Very high3 Ų362.8 Ų62.82%0.01535%0.346CS..EExtended strand (participates in β ladder)trans-73.5126.3-177.7-164.7108.267.300110.4I281 M285 L290 F294 G340 K341 I343 F346 L350I281-M348 HydrophobicContact CB-SD 4.27Å; I281-M348 HydrophobicContact CG1-SD 3.75Å; I281-M348 HydrophobicContact CG2-SD 4.19Å; M285-M348 HydrophobicContact CE-CE 4.34Å; M285-M348 HydrophobicContact SD-CE 4.17Å; L290-M348 HydrophobicContact CD2-CE 4.11Å; F294-M348 HydrophobicContact CE2-CE 4.26Å; G340-M348 PolarHBondContact N-O 3.34Å; K341-M348 PolarHBondContact O-N 3.38Å; I343-M348 HydrophobicContact CB-CE 4.34Å; I343-M348 HydrophobicContact CD1-CE 3.33Å; I343-M348 HydrophobicContact CG1-CE 4.38Å; F346-M348 PolarHBondContact O-N 3.07Å; M348-L350 HydrophobicContact CB-CD1 3.99Å; M348-L350 HydrophobicContact CG-CD1 3.4Å; M348-L350 VanDerWaalsContact CG-CD1 3.4Å
349K93.7Very high91.4Very high121 Ų12165 Ų6553%0.52636%0.361SS..EExtended strand (participates in β ladder)trans-105116.1176.9-66.5-172.8177-1760109.6G279 E347G279-K349 PolarHBondContact N-O 2.91Å; G279-K349 PolarHBondContact O-N 2.85Å; E347-K349 PolarHBondContact O-N 3.34Å
350L94.8Very high91.1Very high14 Ų1466.8 Ų66.87%0.07338%0.377CS..EExtended strand (participates in β ladder)trans-105.9147.9-179.1-74.971.6000110.6L276 Y277 L278 F294 L335 L338 N339 M348L276-L350 HydrophobicContact CD1-CD2 4.32Å; Y277-L350 VanDerWaalsContact O-CA 3.32Å; Y277-L350 WeakPolarHBondContact O-CA 3.27Å; L278-L350 HydrophobicContact CD2-CD1 4.25Å; L278-L350 HydrophobicContact CD2-CD2 4.1Å; L278-L350 HydrophobicContact CD2-CG 3.64Å; F294-L350 HydrophobicContact CE1-CD2 3.64Å; F294-L350 HydrophobicContact CZ-CD2 3.86Å; F294-L350 HydrophobicContact CZ-CG 4.4Å; L335-L350 HydrophobicContact CD1-CB 3.4Å; L335-L350 HydrophobicContact CD1-CD2 4.46Å; L338-L350 HydrophobicContact CB-CD1 4.12Å; L338-L350 HydrophobicContact CB-CD2 3.74Å; L338-L350 WeakPolarHBondContact O-CD1 3.25Å; N339-L350 HydrophobicContact CB-CB 4.11Å; N339-L350 PolarHBondContact OD1-N 3.37Å; N339-L350 PolarHBondContact OD1-O 3.03Å; M348-L350 HydrophobicContact CB-CD1 3.99Å; M348-L350 HydrophobicContact CG-CD1 3.4Å; M348-L350 VanDerWaalsContact CG-CD1 3.4Å
351G93.4Very high90.8Very high19 Ų1971.9 Ų71.920%0.19639%0.391CS..EExtended strand (participates in β ladder)trans-153.2171.1172.700000111.8L276 Y277 G353L276-G351 CarbonylContact C-O 3.52Å; L276-G351 WeakPolarHBondContact CA-O 3.47Å; Y277-G351 PolarHBondContact N-O 3.03Å; Y277-G351 PolarHBondContact O-N 3.36Å; G351-G353 PolarHBondContact O-N 3.03Å
352W93.5Very high90.7Very high15 Ų1570.1 Ų70.16%0.05739%0.388CS..EExtended strand (participates in β ladder)trans-73.6127.5175.4-69.2111.8000111.3H266 D267 L276 R328 A331 E332 L335H266-W352 WeakPolarHBondContact CB-O 3.18Å; H266-W352 PolarHBondContact N-O 3.5Å; H266-W352 VanDerWaalsContact N-O 3.15Å; D267-W352 HydrophobicContact CB-CB 4.06Å; D267-W352 HydrophobicContact CB-CG 3.84Å; D267-W352 VanDerWaalsContact OD2-CD1 3.29Å; D267-W352 PolarHBondContact OD2-NE1 3.08Å; D267-W352 VanDerWaalsContact OD2-NE1 3.11Å; L276-W352 HydrophobicContact CD2-CD2 4.13Å; L276-W352 HydrophobicContact CD2-CE3 3.41Å; L276-W352 VanDerWaalsContact CD2-CE3 3.41Å; L276-W352 HydrophobicContact CD2-CH2 3.91Å; L276-W352 HydrophobicContact CD2-CZ3 3.27Å; L276-W352 HydrophobicContact CG-CZ3 4.36Å; R328-W352 VanDerWaalsContact NH2-CE2 3.3Å; A331-W352 HydrophobicContact CB-CH2 3.87Å; A331-W352 HydrophobicContact CB-CZ3 3.74Å; E332-W352 HydrophobicContact CB-CH2 4.4Å; E332-W352 HydrophobicContact CB-CZ2 4.48Å; E332-W352 HydrophobicContact CG-CH2 3.64Å; E332-W352 HydrophobicContact CG-CZ2 3.61Å; L335-W352 HydrophobicContact CD2-CD2 4.03Å; L335-W352 HydrophobicContact CD2-CG 4.41Å; L335-W352 HydrophobicContact CD2-CH2 4.27Å; L335-W352 HydrophobicContact CD2-CZ2 3.48Å; L335-W352 VanDerWaalsContact CD2-CZ2 3.48Å
353G90.3Very high90.5Very high1 Ų170.1 Ų70.11%0.0139%0.389CS..  trans-96.7175.9176.300000112.5H266 N275 G351H266-G353 WeakPolarHBondContact CB-O 3.11Å; N275-G353 PolarHBondContact O-N 3.33Å; G351-G353 PolarHBondContact O-N 3.03Å
354K89Confident90.5Very high144 Ų14471.5 Ų71.563%0.62639%0.393SS*.  trans-61.9139.4172.8-66.5-177.6178.6-177.50110.4H266 N275 V356H266-K354 VanDerWaalsContact CD2-CG 3.44Å; H266-K354 WeakPolarHBondContact CD2-CG 3.31Å; H266-K354 WeakPolarHBondContact NE2-CE 3.49Å; H266-K354 WeakPolarHBondContact NE2-CG 3.38Å; N275-K354 WeakPolarHBondContact CB-O 3.32Å; N275-K354 PolarHBondContact ND2-O 3.44Å; K354-V356 PolarHBondContact O-N 3.45Å
355A88.3Confident90.4Very high59 Ų5969.3 Ų69.349%0.48838%0.382SS..  trans-55.2135.9172.100000110.6T273T273-A355 HydrophobicContact CG2-CB 4.02Å
356V87.9Confident89.9Confident62 Ų6264.3 Ų64.338%0.37635%0.348SS..  trans-124.9138.9179.3175.10000107.6N275 K354 I358N275-V356 HydrophobicContact CB-CG2 4.38Å; N275-V356 VanDerWaalsContact ND2-CG2 3.26Å; N275-V356 WeakPolarHBondContact ND2-CG2 3.37Å; K354-V356 PolarHBondContact O-N 3.45Å; V356-I358 PolarHBondContact O-N 3.42Å
357P87.8Confident89.3Confident120 Ų12066.3 Ų66.378%0.77937%0.366SS*.PPolyproline II helixtrans-58.4128.4174.723.8-34.2000110.7
358I89.6Confident88.4Confident77 Ų7766.9 Ų66.940%0.39538%0.38SS..PPolyproline II helixtrans-82.4126-176.7-57.6176.8000108.7T274 A301 M326 V356T274-I358 HydrophobicContact CG2-CD1 3.83Å; A301-I358 HydrophobicContact CB-CG2 4.12Å; M326-I358 HydrophobicContact CE-CG2 3.83Å; M326-I358 HydrophobicContact SD-CG2 3.36Å; M326-I358 WeakPolarHBondContact SD-CG2 3.4Å; V356-I358 PolarHBondContact O-N 3.42Å
359P89.9Confident87.4Confident48 Ų4870 Ų7031%0.31240%0.395SS..PPolyproline II helixtrans-67.6154.6174.328.9-31.9000111A301 M326 H361A301-P359 HydrophobicContact CB-CG 4.33Å; A301-P359 WeakPolarHBondContact O-CG 3.29Å; M326-P359 HydrophobicContact CE-CG 3.87Å; M326-P359 WeakPolarHBondContact CE-O 3.25Å; P359-H361 PolarHBondContact O-N 3.15Å
360P87.5Confident86.6Confident123 Ų12369 Ų6980%0.79939%0.393SS*.SBendtrans-66.3-22-176.526.2-34.7000113.8
361H86.2Confident85.4Confident145 Ų14576 Ų7667%0.67143%0.426SS*.SBendtrans-125.7138.7179.6-62.677.6000110.1P359P359-H361 PolarHBondContact O-N 3.15Å
362P89.4Confident84Confident45 Ų4582.5 Ų82.529%0.29245%0.451SS..  trans-68.2139.7175.828.7-34.6000112P299 L300 M326 I365P299-P362 HydrophobicContact CB-CB 3.98Å; P299-P362 HydrophobicContact CB-CG 4.44Å; L300-P362 CarbonylContact O-C 3.54Å; L300-P362 WeakPolarHBondContact O-CA 3.21Å; L300-P362 WeakPolarHBondContact O-CB 3.36Å; M326-P362 HydrophobicContact CE-CB 3.89Å; M326-P362 HydrophobicContact CG-CB 4.03Å; P362-I365 HydrophobicContact CB-CG1 4.07Å; P362-I365 HydrophobicContact CG-CD1 3.73Å; P362-I365 HydrophobicContact CG-CG1 3.45Å; P362-I365 VanDerWaalsContact CG-CG1 3.45Å
363I89.5Confident82.8Confident115 Ų11585.5 Ų85.559%0.5947%0.471SS*.SBendtrans-73.4-35.4174.6-63.5-175.9000110L300 A301L300-I363 PolarHBondContact O-N 2.9Å; A301-I363 WeakPolarHBondContact O-CD1 3.22Å; A301-I363 VanDerWaalsContact O-CG1 3.32Å; A301-I363 WeakPolarHBondContact O-CG1 3.44Å
364Y89.3Confident82.1Confident52 Ų5290.8 Ų90.820%0.20450%0.498CS..BIsolated β-bridgetrans-131.5121.7178.1-175.1-92.5000110.5C291 P299 L300 P366C291-Y364 HydrophobicContact CB-CD1 4.38Å; C291-Y364 HydrophobicContact CB-CD2 3.67Å; C291-Y364 HydrophobicContact CB-CE2 4.04Å; C291-Y364 HydrophobicContact CB-CG 3.83Å; C291-Y364 VanDerWaalsContact O-CE1 3.27Å; C291-Y364 WeakPolarHBondContact O-CE1 3.43Å; P299-Y364 WeakPolarHBondContact CA-O 3.36Å; L300-Y364 HydrophobicContact CD1-CD1 4.16Å; L300-Y364 HydrophobicContact CD1-CG 4.38Å; L300-Y364 HydrophobicContact CG-CD1 4.33Å; L300-Y364 PolarHBondContact N-O 3.2Å; L300-Y364 PolarHBondContact O-N 3.28Å; Y364-P366 HydrophobicContact CE1-CB 4.14Å
365I87.3Confident81.3Confident41 Ų4188.7 Ų88.721%0.2150%0.499CS..  trans-108.6121.7169.1-56.7172.6000106P362 M369 M370 T373P362-I365 HydrophobicContact CB-CG1 4.07Å; P362-I365 HydrophobicContact CG-CD1 3.73Å; P362-I365 HydrophobicContact CG-CG1 3.45Å; P362-I365 VanDerWaalsContact CG-CG1 3.45Å; I365-M369 HydrophobicContact CG2-CB 4.12Å; I365-M370 HydrophobicContact CG2-CB 4.43Å; I365-T373 HydrophobicContact CD1-CG2 4.27Å; I365-T373 HydrophobicContact CG2-CG2 4.39Å
366P81.6Confident80.5Confident6 Ų688 Ų884%0.03949%0.49CS..  trans-58.7141.1176.224-33.4000110.2G295 Y364 S368 M369 M370G295-P366 VanDerWaalsContact O-CB 3.23Å; G295-P366 WeakPolarHBondContact O-CB 3.39Å; G295-P366 WeakPolarHBondContact O-CG 3.4Å; Y364-P366 HydrophobicContact CE1-CB 4.14Å; P366-S368 PolarHBondContact O-N 2.93Å; P366-M369 HydrophobicContact CG-CB 4.04Å; P366-M369 HydrophobicContact CG-CE 3.56Å; P366-M369 HydrophobicContact CG-CG 3.9Å; P366-M369 HydrophobicContact CG-SD 4.42Å; P366-M369 PolarHBondContact O-N 3.48Å; P366-M370 PolarHBondContact O-N 3.45Å; P366-M370 VanDerWaalsContact O-N 3.17Å
367P79.4Confident80Confident98 Ų9889.6 Ų89.664%0.63650%0.502SS*.Hα-helixtrans-52.2-34.8-178.5-2934.6000113.6M369 M370P367-M369 PolarHBondContact O-N 3.02Å; P367-M370 WeakPolarHBondContact O-CB 3.36Å; P367-M370 PolarHBondContact O-N 3.46Å; P367-M370 VanDerWaalsContact O-N 3.13Å
368S73.9Confident79.4Confident97 Ų9789.6 Ų89.668%0.67850%0.501SS*.Hα-helixtrans-63.9-19.8176.1570000114.5P366P366-S368 PolarHBondContact O-N 2.93Å
369M72.8Confident78.7Confident69 Ų6987.6 Ų87.634%0.3449%0.494SS..Hα-helixtrans-108.3-4175-60.4-156.8-54.200112.8P299 I365 P366 P367 E371 H372P299-M369 HydrophobicContact CB-CE 4.3Å; P299-M369 HydrophobicContact CG-CE 3.85Å; I365-M369 HydrophobicContact CG2-CB 4.12Å; P366-M369 HydrophobicContact CG-CB 4.04Å; P366-M369 HydrophobicContact CG-CE 3.56Å; P366-M369 HydrophobicContact CG-CG 3.9Å; P366-M369 HydrophobicContact CG-SD 4.42Å; P366-M369 PolarHBondContact O-N 3.48Å; P367-M369 PolarHBondContact O-N 3.02Å; M369-E371 PolarHBondContact O-N 2.83Å; M369-H372 PolarHBondContact O-N 3.43Å
370M77.1Confident77.9Confident98 Ų9889.1 Ų89.148%0.48352%0.519SS..Hα-helixtrans-68.4-37.4-175-165.5151-155.500111.9I365 P366 P367 H372 T373 L374I365-M370 HydrophobicContact CG2-CB 4.43Å; P366-M370 PolarHBondContact O-N 3.45Å; P366-M370 VanDerWaalsContact O-N 3.17Å; P367-M370 WeakPolarHBondContact O-CB 3.36Å; P367-M370 PolarHBondContact O-N 3.46Å; P367-M370 VanDerWaalsContact O-N 3.13Å; M370-H372 VanDerWaalsContact C-N 3.28Å; M370-H372 PolarHBondContact O-N 3.32Å; M370-T373 WeakPolarHBondContact CA-OG1 3.46Å; M370-T373 PolarHBondContact O-N 2.78Å; M370-T373 PolarHBondContact O-OG1 2.95Å; M370-L374 PolarHBondContact O-N 3.47Å
371E69Low77.4Confident163 Ų16387.5 Ų87.576%0.76250%0.503SS*.G310 helixtrans-59.2-37.6178.2-171169.5-169.700112.6M369 T373M369-E371 PolarHBondContact O-N 2.83Å; E371-T373 VanDerWaalsContact C-N 3.27Å; E371-T373 PolarHBondContact O-N 3.49Å
372H65.1Low76.9Confident155 Ų15585 Ų8572%0.71850%0.5SS*.G310 helixtrans-75.7-13.4177.8-61-58.2000114.2M369 M370M369-H372 PolarHBondContact O-N 3.43Å; M370-H372 VanDerWaalsContact C-N 3.28Å; M370-H372 PolarHBondContact O-N 3.32Å
373T67.7Low76Confident78 Ų7892.9 Ų92.948%0.47953%0.53SS..G310 helixtrans-98.2-10-179.955.90000113.5I365 M370 E371I365-T373 HydrophobicContact CD1-CG2 4.27Å; I365-T373 HydrophobicContact CG2-CG2 4.39Å; M370-T373 WeakPolarHBondContact CA-OG1 3.46Å; M370-T373 PolarHBondContact O-N 2.78Å; M370-T373 PolarHBondContact O-OG1 2.95Å; E371-T373 VanDerWaalsContact C-N 3.27Å; E371-T373 PolarHBondContact O-N 3.49Å
374L74.9Confident75Confident111 Ų11190.2 Ų90.258%0.58152%0.517SS*.SBendtrans-75.5138.6175.3-67.7174.1000110M370M370-L374 PolarHBondContact O-N 3.47Å
375P72.4Confident74.2Confident101 Ų10190.2 Ų90.266%0.65653%0.527SS*.PPolyproline II helixtrans-58.9142.5172.426.4-33.3000109
376P72.2Confident73.3Confident45 Ų4591.6 Ų91.629%0.29253%0.533SS..PPolyproline II helixtrans-56.2136-179.920.4-29.9000109.6N384 Q386P376-N384 PolarHBondContact O-ND2 2.98Å; P376-N384 VanDerWaalsContact O-ND2 3.09Å; P376-Q386 HydrophobicContact CB-CG 3.83Å
377P77.3Confident72.6Confident95 Ų9593.6 Ų93.662%0.61755%0.546SS*.PPolyproline II helixtrans-56134.3-174.522.8-33.4000109.5S379 N384 Q386P377-S379 PolarHBondContact O-N 2.97Å; P377-N384 PolarHBondContact O-OD1 2.9Å; P377-Q386 PolarHBondContact O-NE2 3.22Å
378P75.8Confident71.9Confident119 Ų11999 Ų9977%0.77355%0.554SS**  trans-54.1114.2-175.221.5-32.3000110.4G380 N384P378-G380 PolarHBondContact O-N 3.41Å; P378-N384 WeakPolarHBondContact CA-OD1 3.49Å
379S74.6Confident71.3Confident35 Ų35101.9 Ų101.925%0.24556%0.557CS.*  trans-74.6-5.2-17461.40000113.7P377 L381 N384 A385P377-S379 PolarHBondContact O-N 2.97Å; S379-L381 PolarHBondContact O-N 2.85Å; S379-L381 VanDerWaalsContact O-N 3.09Å; S379-L381 WeakPolarHBondContact OG-CB 3.37Å; S379-L381 PolarHBondContact OG-N 3.18Å; S379-N384 PolarHBondContact N-OD1 3.01Å; S379-N384 WeakPolarHBondContact OG-CA 3.34Å; S379-N384 PolarHBondContact OG-OD1 3.24Å; S379-A385 WeakPolarHBondContact CB-O 3.45Å; S379-A385 PolarHBondContact OG-N 2.97Å; S379-A385 PolarHBondContact OG-O 2.94Å
380G73.2Confident70.5Confident81 Ų81103.4 Ų103.484%0.83556%0.558SS**SBendtrans66.80.9-17200000113.9P378P378-G380 PolarHBondContact O-N 3.41Å
381L76.4Confident69.7Low88 Ų88105.6 Ų105.646%0.46157%0.571SS.*SBendtrans-93.3155.8176.5-68.3163.7000110.2S379 F383 N384 A385 P387S379-L381 PolarHBondContact O-N 2.85Å; S379-L381 VanDerWaalsContact O-N 3.09Å; S379-L381 WeakPolarHBondContact OG-CB 3.37Å; S379-L381 PolarHBondContact OG-N 3.18Å; L381-F383 PolarHBondContact O-N 3.48Å; L381-N384 PolarHBondContact O-N 3.25Å; L381-N384 VanDerWaalsContact O-N 3.13Å; L381-A385 HydrophobicContact CB-CB 4.37Å; L381-A385 WeakPolarHBondContact CD1-O 3.48Å; L381-P387 HydrophobicContact CD1-CG 4.23Å
382P75.2Confident69.3Low94 Ų94103.4 Ų103.461%0.6156%0.559SS**G310 helixtrans-53.9137.8173.124.3-34.3000110.1N384 A385P382-N384 PolarHBondContact O-N 3.35Å; P382-A385 PolarHBondContact O-N 3.05Å
383F71.8Confident69.1Low210 Ų210100.4 Ų100.492%0.92155%0.549SS*.G310 helixtrans61.721.5-178.7-46-73.1000115.9L381 A385L381-F383 PolarHBondContact O-N 3.48Å; F383-A385 PolarHBondContact O-N 3.42Å
384N68.2Low68.9Low58 Ų58102.3 Ų102.331%0.3156%0.562SS.*G310 helixtrans55.232.4-178.6-166.224.9000113.3P376 P377 P378 S379 L381 P382 Q386P376-N384 PolarHBondContact O-ND2 2.98Å; P376-N384 VanDerWaalsContact O-ND2 3.09Å; P377-N384 PolarHBondContact O-OD1 2.9Å; P378-N384 WeakPolarHBondContact CA-OD1 3.49Å; S379-N384 PolarHBondContact N-OD1 3.01Å; S379-N384 WeakPolarHBondContact OG-CA 3.34Å; S379-N384 PolarHBondContact OG-OD1 3.24Å; L381-N384 PolarHBondContact O-N 3.25Å; L381-N384 VanDerWaalsContact O-N 3.13Å; P382-N384 PolarHBondContact O-N 3.35Å; N384-Q386 PolarHBondContact O-N 3.47Å; N384-Q386 VanDerWaalsContact O-N 3.13Å; N384-Q386 PolarHBondContact OD1-NE2 2.95Å; N384-Q386 VanDerWaalsContact OD1-NE2 3.09Å
385A72.9Confident68.4Low52 Ų52104.1 Ų104.143%0.4357%0.573SS.*PPolyproline II helixtrans-58.5119-179.600000110S379 L381 P382 F383 P387S379-A385 WeakPolarHBondContact CB-O 3.45Å; S379-A385 PolarHBondContact OG-N 2.97Å; S379-A385 PolarHBondContact OG-O 2.94Å; L381-A385 HydrophobicContact CB-CB 4.37Å; L381-A385 WeakPolarHBondContact CD1-O 3.48Å; P382-A385 PolarHBondContact O-N 3.05Å; F383-A385 PolarHBondContact O-N 3.42Å; A385-P387 WeakPolarHBondContact O-CD 3.24Å
386Q68.6Low68Low71 Ų71100.5 Ų100.533%0.33255%0.551SS.*PPolyproline II helixtrans-87.5120.3177.5-66.8-60.4-41.700109.6P376 P377 N384 R388 K392P376-Q386 HydrophobicContact CB-CG 3.83Å; P377-Q386 PolarHBondContact O-NE2 3.22Å; N384-Q386 PolarHBondContact O-N 3.47Å; N384-Q386 VanDerWaalsContact O-N 3.13Å; N384-Q386 PolarHBondContact OD1-NE2 2.95Å; N384-Q386 VanDerWaalsContact OD1-NE2 3.09Å; Q386-R388 PolarHBondContact O-N 3.49Å; Q386-K392 VanDerWaalsContact OE1-NZ 3.15Å
387P66.1Low67.5Low48 Ų48104 Ų10431%0.31257%0.574SS.*PPolyproline II helixtrans-56.8135.5169.4-21.129.5000109.5L381 A385 E389 L391 K392L381-P387 HydrophobicContact CD1-CG 4.23Å; A385-P387 WeakPolarHBondContact O-CD 3.24Å; P387-E389 PolarHBondContact O-N 3.5Å; P387-L391 HydrophobicContact CB-CB 4.45Å; P387-L391 HydrophobicContact CB-CD1 4.25Å; P387-K392 HydrophobicContact CB-CD 4.47Å; P387-K392 WeakPolarHBondContact O-CD 3.38Å; P387-K392 VanDerWaalsContact O-CE 3.26Å; P387-K392 WeakPolarHBondContact O-CE 3.45Å; P387-K392 PolarHBondContact O-NZ 3.44Å
388R64.1Low66.7Low211 Ų211106.2 Ų106.280%0.79658%0.577SS**PPolyproline II helixtrans-49.1137.7175.3-82.2-179.3145.2177.7-6.2109.8Q386 R390 L391Q386-R388 PolarHBondContact O-N 3.49Å; R388-R390 PolarHBondContact O-N 2.86Å; R388-L391 WeakPolarHBondContact O-CB 3.45Å; R388-L391 PolarHBondContact O-N 3.17Å
389E61.3Low66Low158 Ų158106.9 Ų106.974%0.73857%0.574SS**Hα-helixtrans-50.1-31.4-177.2-68.6-168.2159.600113.5P387 L391 K392 N393P387-E389 PolarHBondContact O-N 3.5Å; E389-L391 VanDerWaalsContact C-N 3.27Å; E389-L391 PolarHBondContact O-N 3.2Å; E389-K392 CarbonylContact O-C 3.54Å; E389-K392 WeakPolarHBondContact O-CA 3.44Å; E389-K392 WeakPolarHBondContact O-CB 3.17Å; E389-K392 PolarHBondContact O-N 2.95Å; E389-N393 PolarHBondContact O-N 3.07Å
390R57.5Low65.4Low100 Ų100109.9 Ų109.938%0.37759%0.593SS.*Hα-helixtrans-59-33.2175.6-134.6-167-167.77141.9114.8R388 K392 A396 P397 M398R388-R390 PolarHBondContact O-N 2.86Å; R390-K392 VanDerWaalsContact C-N 3.31Å; R390-A396 PolarHBondContact NH2-O 2.97Å; R390-P397 PolarHBondContact NH2-O 3.34Å; R390-M398 VanDerWaalsContact CZ-CE 3.43Å; R390-M398 PolarHBondContact NE-SD 3.48Å; R390-M398 VanDerWaalsContact NE-SD 3.37Å; R390-M398 PolarHBondContact NH2-SD 3.26Å
391L60.1Low64.7Low144 Ų144111.2 Ų111.275%0.75459%0.586SS**Hα-helixtrans-76-25.3176.5-65.2169.3000111.3P387 R388 E389P387-L391 HydrophobicContact CB-CB 4.45Å; P387-L391 HydrophobicContact CB-CD1 4.25Å; R388-L391 WeakPolarHBondContact O-CB 3.45Å; R388-L391 PolarHBondContact O-N 3.17Å; E389-L391 VanDerWaalsContact C-N 3.27Å; E389-L391 PolarHBondContact O-N 3.2Å
392K60.8Low63.8Low117 Ų117109.5 Ų109.551%0.50958%0.581SS.*Hα-helixtrans-87.8-29.1178.6-68.9156.4169.9169.50112Q386 P387 E389 R390Q386-K392 VanDerWaalsContact OE1-NZ 3.15Å; P387-K392 HydrophobicContact CB-CD 4.47Å; P387-K392 WeakPolarHBondContact O-CD 3.38Å; P387-K392 VanDerWaalsContact O-CE 3.26Å; P387-K392 WeakPolarHBondContact O-CE 3.45Å; P387-K392 PolarHBondContact O-NZ 3.44Å; E389-K392 CarbonylContact O-C 3.54Å; E389-K392 WeakPolarHBondContact O-CA 3.44Å; E389-K392 WeakPolarHBondContact O-CB 3.17Å; E389-K392 PolarHBondContact O-N 2.95Å; R390-K392 VanDerWaalsContact C-N 3.31Å
393N60.8Low63.2Low93 Ų93114 Ų11450%0.49759%0.591SS.*  trans-139.3100.8-178.7-156.7-4.9000112E389 N395 A396E389-N393 PolarHBondContact O-N 3.07Å; N393-N395 PolarHBondContact O-N 3.14Å; N393-N395 VanDerWaalsContact O-N 3.15Å; N393-A396 WeakPolarHBondContact O-CB 3.45Å; N393-A396 PolarHBondContact O-N 2.91Å; N393-A396 VanDerWaalsContact O-N 3.1Å
394P63.3Low62.7Low118 Ų118108.7 Ų108.777%0.76657%0.572SS**THydrogen-bonded Turntrans-67-14.9-17623.4-30.8000114
395N63.1Low62.5Low149 Ų149114.2 Ų114.280%0.79759%0.593SS**THydrogen-bonded Turntrans-90.53.8175.2-81.8-32.7000114.1N393N393-N395 PolarHBondContact O-N 3.14Å; N393-N395 VanDerWaalsContact O-N 3.15Å
396A65.1Low61.8Low24 Ų24119.2 Ų119.220%0.19861%0.607CS.*SBendtrans-64.6130.4178.300000111R390 N393 M398R390-A396 PolarHBondContact NH2-O 2.97Å; N393-A396 WeakPolarHBondContact O-CB 3.45Å; N393-A396 PolarHBondContact O-N 2.91Å; N393-A396 VanDerWaalsContact O-N 3.1Å; A396-M398 PolarHBondContact O-N 2.83Å
397P62.2Low61.3Low118 Ų118119.1 Ų119.177%0.76661%0.609SS**PPolyproline II helixtrans-52.4133.7178.9-20.526.8000111.4R390 L399R390-P397 PolarHBondContact NH2-O 3.34Å; P397-L399 PolarHBondContact O-N 2.87Å
398M60Low60.8Low142 Ų142122.4 Ų122.470%0.762%0.619SS**PPolyproline II helixtrans-64.5120.4166.6-57.6-94-10.700106.9R390 A396R390-M398 VanDerWaalsContact CZ-CE 3.43Å; R390-M398 PolarHBondContact NE-SD 3.48Å; R390-M398 VanDerWaalsContact NE-SD 3.37Å; R390-M398 PolarHBondContact NH2-SD 3.26Å; A396-M398 PolarHBondContact O-N 2.83Å
399L59.9Low60.4Low133 Ų133118.1 Ų118.170%0.69661%0.608SS**PPolyproline II helixtrans-56.4127162.9-71.8172.1000106.9P397P397-L399 PolarHBondContact O-N 2.87Å
400P62.3Low60.1Low99 Ų99117.3 Ų117.364%0.64360%0.602SS**PPolyproline II helixtrans-61141-178.624.6-32.5000109
401P58.9Low59.9Low108 Ų108116.3 Ų116.370%0.70160%0.602SS**PPolyproline II helixtrans-58135.6177.222-30.6000109.5K403P401-K403 PolarHBondContact O-N 3.38Å
402P57.8Low59.1Low52 Ų52117.1 Ų117.134%0.33860%0.599SS.*PPolyproline II helixtrans-59.5125.9179.322.2-31.1000108.9N404 D407 F408P402-N404 VanDerWaalsContact C-N 3.29Å; P402-N404 PolarHBondContact O-N 2.91Å; P402-D407 HydrophobicContact CB-CB 3.89Å; P402-F408 HydrophobicContact CB-CB 4.47Å; P402-F408 HydrophobicContact CG-CB 4.22Å; P402-F408 HydrophobicContact CG-CD2 3.76Å; P402-F408 HydrophobicContact CG-CG 4.49Å
403K62Low58.1Low190 Ų190116.8 Ų116.883%0.82661%0.607SS**SBendtrans-78.6-16.8-173.5-64.9-179-178.5178.70112.4P401P401-K403 PolarHBondContact O-N 3.38Å
404N62.6Low57.1Low97 Ų97120 Ų12052%0.51961%0.613SS.*SBendtrans-133.6149.9-176-56.9-54.8000111.5P402 E406 D407 F408P402-N404 VanDerWaalsContact C-N 3.29Å; P402-N404 PolarHBondContact O-N 2.91Å; N404-E406 PolarHBondContact O-N 2.87Å; N404-D407 PolarHBondContact ND2-OD2 3.2Å; N404-D407 WeakPolarHBondContact O-CB 3.33Å; N404-D407 PolarHBondContact O-N 3.41Å; N404-F408 PolarHBondContact O-N 2.84Å; N404-F408 VanDerWaalsContact O-N 3.16Å
405K62.6Low55.9Low175 Ų175120.6 Ų120.676%0.76162%0.616SS**Hα-helixtrans-58.9-33.3176.9-135.4177.4-178.8-175.50112.4F408 E409K405-F408 WeakPolarHBondContact O-CB 3.31Å; K405-F408 PolarHBondContact O-N 3.37Å; K405-E409 PolarHBondContact O-N 3.39Å; K405-E409 VanDerWaalsContact O-N 3.07Å
406E59.1Low54.7Low156 Ų156118.3 Ų118.373%0.72960%0.604SS**Hα-helixtrans-70.5-30.1176.3-63.8175.7173.300113N404 K410N404-E406 PolarHBondContact O-N 2.87Å; E406-K410 WeakPolarHBondContact O-CB 3.36Å; E406-K410 PolarHBondContact O-N 3.48Å
407D56.6Low53.5Low70 Ų70121.7 Ų121.737%0.37462%0.622SS.*Hα-helixtrans-75-35174-69.8-48.2000111P402 N404 K410 E411P402-D407 HydrophobicContact CB-CB 3.89Å; N404-D407 PolarHBondContact ND2-OD2 3.2Å; N404-D407 WeakPolarHBondContact O-CB 3.33Å; N404-D407 PolarHBondContact O-N 3.41Å; D407-K410 PolarHBondContact O-N 3.21Å; D407-E411 PolarHBondContact O-N 3.46Å
408F57Low52.3Low116 Ų116122.1 Ų122.151%0.50963%0.625SS.*Hα-helixtrans-65.5-42.8175.1-169.2-91.4000112P402 N404 K405 E411 F412P402-F408 HydrophobicContact CB-CB 4.47Å; P402-F408 HydrophobicContact CG-CB 4.22Å; P402-F408 HydrophobicContact CG-CD2 3.76Å; P402-F408 HydrophobicContact CG-CG 4.49Å; N404-F408 PolarHBondContact O-N 2.84Å; N404-F408 VanDerWaalsContact O-N 3.16Å; K405-F408 WeakPolarHBondContact O-CB 3.31Å; K405-F408 PolarHBondContact O-N 3.37Å; F408-E411 PolarHBondContact O-N 3.29Å; F408-F412 HydrophobicContact CE1-CD2 4.34Å; F408-F412 HydrophobicContact CE1-CE2 4.04Å; F408-F412 HydrophobicContact CZ-CE2 4.2Å
409E55.4Low51.3Low121 Ų121120.9 Ų120.957%0.56562%0.621SS**Hα-helixtrans-71.4-36.9175.2-72.6179.7177.500111.8K405 E411 F412 T413K405-E409 PolarHBondContact O-N 3.39Å; K405-E409 VanDerWaalsContact O-N 3.07Å; E409-E411 VanDerWaalsContact C-N 3.25Å; E409-E411 PolarHBondContact O-N 3.02Å; E409-F412 PolarHBondContact O-N 3.3Å; E409-F412 VanDerWaalsContact O-N 3.17Å; E409-T413 PolarHBondContact O-N 3.47Å; E409-T413 PolarHBondContact O-OG1 2.98Å
410K54.2Low50.3Low142 Ų142120.4 Ų120.462%0.61762%0.619SS**Hα-helixtrans-60.5-33.3172.5-109171.8177.2165.60113.1E406 D407 F412 T413 R414E406-K410 WeakPolarHBondContact O-CB 3.36Å; E406-K410 PolarHBondContact O-N 3.48Å; D407-K410 PolarHBondContact O-N 3.21Å; K410-F412 VanDerWaalsContact C-N 3.33Å; K410-T413 CarbonylContact O-C 3.54Å; K410-T413 PolarHBondContact O-N 3.39Å; K410-R414 WeakPolarHBondContact O-CG 3.43Å; K410-R414 PolarHBondContact O-N 3.02Å
411E53.7Low49.1Very low79 Ų79126.7 Ų126.737%0.36963%0.63SS.*Hα-helixtrans-68.6-32.8177.9-162.8147.5-151.600112D407 F408 E409D407-E411 PolarHBondContact O-N 3.46Å; F408-E411 PolarHBondContact O-N 3.29Å; E409-E411 VanDerWaalsContact C-N 3.25Å; E409-E411 PolarHBondContact O-N 3.02Å
412F42.9Very low48Very low160 Ų160128.4 Ų128.470%0.70263%0.632SS**Hα-helixtrans-78.7-17.1169.6-89-87.7000114.5F408 E409 K410F408-F412 HydrophobicContact CE1-CD2 4.34Å; F408-F412 HydrophobicContact CE1-CE2 4.04Å; F408-F412 HydrophobicContact CZ-CE2 4.2Å; E409-F412 PolarHBondContact O-N 3.3Å; E409-F412 VanDerWaalsContact O-N 3.17Å; K410-F412 VanDerWaalsContact C-N 3.33Å
413T40Very low46.8Very low110 Ų110131.4 Ų131.468%0.67565%0.653SS**Hα-helixtrans-106.10.3-177.1-310000113E409 K410E409-T413 PolarHBondContact O-N 3.47Å; E409-T413 PolarHBondContact O-OG1 2.98Å; K410-T413 CarbonylContact O-C 3.54Å; K410-T413 PolarHBondContact O-N 3.39Å
414R40.4Very low45.5Very low162 Ų162127.9 Ų127.961%0.61165%0.651SS**SBendtrans-59.1136.2162.7-74.2176.8-168.4-167.46.1106.2K410 D416K410-R414 WeakPolarHBondContact O-CG 3.43Å; K410-R414 PolarHBondContact O-N 3.02Å; R414-D416 PolarHBondContact O-N 2.93Å
415P38Very low44.1Very low129 Ų129132.9 Ų132.984%0.83869%0.685SS**  trans-66.987.1168.728.3-30000105.9T417P415-T417 PolarHBondContact O-N 3.04Å
416D38.8Very low43.1Very low102 Ų102130.8 Ų130.855%0.54568%0.682SS.*  trans-50.4129.7161.9-73.5-33.8000105.7R414R414-D416 PolarHBondContact O-N 2.93Å
417T38.7Very low42.3Very low95 Ų95129.5 Ų129.558%0.58368%0.679SS**  trans-40.6146.4169.846.10000110.1P415 N419P415-T417 PolarHBondContact O-N 3.04Å; T417-N419 PolarHBondContact O-N 2.95Å
418P36.9Very low41.5Very low127 Ų127132.8 Ų132.883%0.82570%0.696SS**THydrogen-bonded Turntrans-63.64.1-160.9-1931.2000116.8
419N40.3Very low40.6Very low115 Ų115133.8 Ų133.862%0.61571%0.707SS**THydrogen-bonded Turntrans-103.6-4.8-169.4-90.2-16.3000116.3T417T417-N419 PolarHBondContact O-N 2.95Å
420D38Very low39.7Very low123 Ų123134.6 Ų134.666%0.65872%0.716SS**  trans-103.524.2178.6-76.4-19.2000113.6I422D420-I422 PolarHBondContact O-N 3.06Å
421R36.2Very low38.7Very low232 Ų232134.1 Ų134.188%0.87572%0.722SS**  trans-74.186.7159.3-78.1-167.9-175.3-176.62.8109C423R421-C423 VanDerWaalsContact C-N 3.32Å; R421-C423 PolarHBondContact O-N 3.23Å
422I36.3Very low37.6Very low143 Ų143138 Ų13873%0.73375%0.748SS**  trans-57.3101.7155.7-61.1174000106.3D420 C424D420-I422 PolarHBondContact O-N 3.06Å; I422-C424 VanDerWaalsContact C-N 3.32Å; I422-C424 PolarHBondContact O-N 2.89Å
423C33Very low37.2Very low116 Ų116136.3 Ų136.378%0.78475%0.751SS**  trans-62.897.6162.1-96.50000107.5R421R421-C423 VanDerWaalsContact C-N 3.32Å; R421-C423 PolarHBondContact O-N 3.23Å
424C33.9Very low37Very low115 Ų115138.5 Ų138.578%0.77776%0.757SS**  trans-86.9104.2155.1-68.40000107.4I422I422-C424 VanDerWaalsContact C-N 3.32Å; I422-C424 PolarHBondContact O-N 2.89Å
425T33.4Very low36.7Very low203 Ų203136.4 Ų136.4100%1.24577%0.771SS**  trans-128.10156.8510000108.3

Retrieved 425 of 425 residues in 535.9 ms (Link to these results)