A0A077ZIL7_TRITR Loading...

Nucleosome-remodeling factor subunit BPTF

AlphaFold DB , UniProt , Accession A0A077ZIL7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 393 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
1M32.1Very low33.1Very low238 Ų238167.5 Ų167.5100%1.17282%0.821SS**  078.60-68.5176.5177.700106.7
2V23.2Very low33.8Very low122 Ų122162.8 Ų162.874%0.73982%0.817SS**  55.1104.4105.4-173.10000111.8
3F30.2Very low33.9Very low200 Ų200162.6 Ų162.688%0.87782%0.82SS**  -170.8116.4114.4-101.1-75.7000109.9
4N25.4Very low34.1Very low134 Ų134159.1 Ų159.172%0.71781%0.814SS**  trans-79.4151.1171.2-97.3-31.7000110.3
5L34.4Very low34.3Very low178 Ų178154.9 Ų154.993%0.93281%0.812SS**  trans-144.9107.6141.4-123.3108000109.8
6E33.2Very low34.3Very low163 Ų163156.3 Ų156.376%0.76282%0.82SS**  trans-71.9145.9169.3-72.3158.9106.100111.5
7K40.3Very low34Very low177 Ų177160.7 Ų160.777%0.7782%0.823SS**  175132.9112.5-108.7-172.6167.9169.70114
8Q37.1Very low33.9Very low142 Ų142163.3 Ų163.366%0.66483%0.828SS**  trans74132.5144.7-63.9177.7-12.700117.2
9R33.7Very low33.7Very low222 Ų222163.8 Ų163.884%0.83883%0.827SS**  cis-161.4150.813-125170.4175.1162.7-5.3109.6
10A37.1Very low33.9Very low87 Ų87160.9 Ų160.972%0.71982%0.822SS**  trans-22.5148.6161.400000116.6
11E37.6Very low33.9Very low180 Ų180163.5 Ų163.584%0.84183%0.828SS**  -162141.566.1-79.8168.1167.600113.8
12S41.5Very low33.9Very low111 Ų111156 Ų15678%0.77681%0.812SS**  trans36.7138.7145.363.90000121.5
13N34.5Very low34.1Very low160 Ų160157.9 Ų157.986%0.85682%0.817SS**  cis-168156.323.1-151.98.4000108.4
14P36.7Very low33.9Very low114 Ų114158.7 Ų158.774%0.7481%0.814SS**  trans-106.8162.6-165.839.7-29.9000114.3
15A37.3Very low34Very low95 Ų95159 Ų15979%0.78581%0.814SS**  trans-178.2130.8141.700000113.3
16L33.7Very low33.6Very low177 Ų177156.5 Ų156.593%0.92781%0.808SS**  trans89.5103.5156.7-58.3176.3000120.7
17R29.5Very low33.3Very low232 Ų232156 Ų15688%0.87581%0.81SS**  trans-71.9141.9162.5-75.6173.1163.7171.6-6111.8
18F32.5Very low32.6Very low207 Ų207152.3 Ų152.391%0.90880%0.804SS**  -157.3127.3124-135.2-95.1000110.1
19E30.3Very low32Very low173 Ų173154 Ų15481%0.80882%0.817SS**  trans-84.3139.9180-72.6170.898.600111.5
20S37.2Very low31.8Very low106 Ų106155.1 Ų155.174%0.74182%0.821SS**  -177.7113.4124.853.40000113.1
21K34.7Very low31.3Very low215 Ų215161.9 Ų161.994%0.93583%0.828SS**  trans54113.3137.5-58.4177.3-178.8177.60119.4
22G32.5Very low30.9Very low81 Ų81159.4 Ų159.484%0.83583%0.827SS**  trans142.369.9153.600000117.3
23L25.9Very low30.3Very low161 Ų161158.9 Ų158.984%0.84382%0.824SS**  trans-50.3137.8162.2-82.2156.5000111.4
24R27.4Very low29.9Very low218 Ų218156.6 Ų156.682%0.82382%0.818SS**  cis-151.5125.59.8-79.2175.1-173.4178.71.6109.7
25I26.9Very low29.3Very low141 Ų141161.4 Ų161.472%0.72383%0.827SS**  trans26116.8138.1-44.9173.9000119.3L27I25-L27 HydrophobicContact CG2-CB 4.5Å; I25-L27 HydrophobicContact CG2-CD1 3.98Å; I25-L27 HydrophobicContact CG2-CG 4.22Å
26P25.1Very low28.9Very low124 Ų124167.2 Ų167.281%0.80583%0.829SS**  trans-99.1116.2161.832.8-22000111.8
27L26.9Very low28.5Very low152 Ų152163.6 Ų163.680%0.79682%0.816SS**  trans-158.1156.2171.9-81.8169.3000109.6I25I25-L27 HydrophobicContact CG2-CB 4.5Å; I25-L27 HydrophobicContact CG2-CD1 3.98Å; I25-L27 HydrophobicContact CG2-CG 4.22Å
28P27.3Very low28.5Very low100 Ų100156 Ų15665%0.64979%0.792SS**  cis-130.8162.6-36.734.3-17.6000112.3R30P28-R30 PolarHBondContact O-N 3.05Å; P28-R30 VanDerWaalsContact O-N 3.14Å
29L24.5Very low28.4Very low178 Ų178153 Ų15393%0.93278%0.78SS**  trans-43.4113.7163.7-65162.8000111.2
30R28.3Very low28.4Very low245 Ų245146.2 Ų146.293%0.92575%0.75SS**  trans-90.4113.7169.8-85.8-168.9178.6-152.60.9110.3P28P28-R30 PolarHBondContact O-N 3.05Å; P28-R30 VanDerWaalsContact O-N 3.14Å
31R27.3Very low28.6Very low230 Ų230144.7 Ų144.787%0.86873%0.733SS**PPolyproline II helixtrans-53.8154.5162.1-77-178.8-169-148.91.1111.3S33R31-S33 PolarHBondContact O-N 2.82Å
32P28.5Very low28.7Very low127 Ų127141.6 Ų141.683%0.82572%0.716SS**PPolyproline II helixtrans-61.7128.5-176.126-33.6000110.4
33S28.6Very low28.8Very low101 Ų101145.8 Ų145.871%0.70671%0.711SS**PPolyproline II helixtrans-65.6140.2170.533.90000110.3R31R31-S33 PolarHBondContact O-N 2.82Å
34P26.3Very low29.2Very low111 Ų111145.4 Ų145.472%0.72170%0.703SS**PPolyproline II helixtrans-67.3147.1-178.630.3-33.3000110.2R36P34-R36 PolarHBondContact O-N 2.79Å; P34-R36 VanDerWaalsContact O-N 3.17Å
35K25.2Very low29.9Very low215 Ų215138.7 Ų138.794%0.93569%0.687SS**  trans-43.8116.4175.7-61.8177.8179.4-1790110
36R27.9Very low30.3Very low218 Ų218141.1 Ų141.182%0.82370%0.695SS**  trans-93143.2169.3-65.8-172.8-168.3-128.23.3108.8P34P34-R36 PolarHBondContact O-N 2.79Å; P34-R36 VanDerWaalsContact O-N 3.17Å
37P26.4Very low30.8Very low101 Ų101140.2 Ų140.266%0.65669%0.692SS**  trans-62.4143.4170.8-9.324.7000109.2H39P37-H39 PolarHBondContact O-N 2.69Å; P37-H39 VanDerWaalsContact O-N 3.08Å
38I28.3Very low31.2Very low72 Ų72138.5 Ų138.537%0.36969%0.693SS.*  trans-63.1111.6174.5-67.1162.9000107.3I187I38-I187 WeakPolarHBondContact CD1-O 3.24Å
39H30.9Very low31.4Very low143 Ų143137.9 Ų137.966%0.66270%0.696SS**  trans-88.2126.1163.7-77.8-75.7000107.6P37 I41P37-H39 PolarHBondContact O-N 2.69Å; P37-H39 VanDerWaalsContact O-N 3.08Å; H39-I41 HydrophobicContact CB-CG1 4.28Å; H39-I41 WeakPolarHBondContact O-CG1 3.42Å; H39-I41 PolarHBondContact O-N 2.87Å
40V31.4Very low31.7Very low31 Ų31136.4 Ų136.419%0.18869%0.689CS.*  trans-61.8106.2159.2-178.10000106.3W42 E185V40-W42 HydrophobicContact CG1-CD2 4.48Å; V40-W42 HydrophobicContact CG1-CZ2 3.92Å; V40-W42 PolarHBondContact O-N 3.13Å; V40-E185 HydrophobicContact CG2-CB 4.47Å
41I39.7Very low31.7Very low75 Ų75130.4 Ų130.439%0.38568%0.679SS.*  trans-87.5107.6-174.7-74.1159.2000108.5H39 K43 W171H39-I41 HydrophobicContact CB-CG1 4.28Å; H39-I41 WeakPolarHBondContact O-CG1 3.42Å; H39-I41 PolarHBondContact O-N 2.87Å; I41-K43 VanDerWaalsContact C-N 3.27Å; I41-K43 WeakPolarHBondContact CG2-O 3.46Å; I41-W171 HydrophobicContact CD1-CH2 3.87Å
42W38.4Very low31.9Very low149 Ų149124 Ų12456%0.56467%0.67SS**  trans-87.810.2172-55.591.3000112.8V40V40-W42 HydrophobicContact CG1-CD2 4.48Å; V40-W42 HydrophobicContact CG1-CZ2 3.92Å; V40-W42 PolarHBondContact O-N 3.13Å
43K34.6Very low31.9Very low169 Ų169125.1 Ų125.174%0.73566%0.664SS**SBendtrans-133.7134.6-172.9-69.4-172.3177.3-177.60111.7I41I41-K43 VanDerWaalsContact C-N 3.27Å; I41-K43 WeakPolarHBondContact CG2-O 3.46Å
44K32.6Very low31.9Very low153 Ų153129 Ų12967%0.66566%0.664SS**  trans-44.1124.2175.3-172.5177.5-177.91790112E46K44-E46 PolarHBondContact O-N 2.92Å
45P41.8Very low32.1Very low77 Ų77133.8 Ų133.850%0.567%0.667SS.*  trans-64.5129171.223.4-28.5000109.4S47P45-S47 PolarHBondContact O-N 3.32Å
46E35.7Very low32.5Very low192 Ų192127.4 Ų127.490%0.89766%0.663SS**  trans-66106.7177-67.3-178.9163.200109.2K44 S48K44-E46 PolarHBondContact O-N 2.92Å; E46-S48 PolarHBondContact O-N 3.47Å
47S35.3Very low32.8Very low105 Ų105120.2 Ų120.273%0.73466%0.656SS**  trans-71.1109.8172.149.30000109.2P45 A49P45-S47 PolarHBondContact O-N 3.32Å; S47-A49 PolarHBondContact O-N 3.39Å; S47-A49 VanDerWaalsContact O-N 3.11Å
48S36.2Very low33.2Very low117 Ų117124.9 Ų124.982%0.81867%0.667SS**  trans-57.7112.4169.250.90000109.8E46 N50E46-S48 PolarHBondContact O-N 3.47Å; S48-N50 PolarHBondContact O-N 2.99Å
49A30.9Very low33.5Very low86 Ų86124.3 Ų124.371%0.71167%0.673SS**  trans-58.6118.8166.200000110.4S47S47-A49 PolarHBondContact O-N 3.39Å; S47-A49 VanDerWaalsContact O-N 3.11Å
50N30.4Very low33.8Very low148 Ų148125.7 Ų125.779%0.79168%0.677SS**  174.6142119.1-104-48.3000113.8S48S48-N50 PolarHBondContact O-N 2.99Å
51V28.9Very low34.1Very low118 Ų118127.9 Ų127.972%0.71569%0.692SS**  trans82.794.4147.2178.30000117.1
52S31.3Very low33.9Very low96 Ų96130 Ų13067%0.67171%0.708SS**  67.2125.6117.5-58.40000120.7
53Q30.1Very low33.8Very low150 Ų150128.9 Ų128.970%0.70172%0.724SS**  trans91.8104.3138.7-78.7174.1-3600118.8
54R28.2Very low33.5Very low184 Ų184126.5 Ų126.569%0.69473%0.727SS**  trans76.8138.6132.2-60.2175-175.4-134.32.7115.2
55R30.5Very low33.6Very low210 Ų210124.8 Ų124.879%0.79273%0.734SS**  cis-173.3140.8-2.4-108.4175.9-162.8-155.22.4106.2
56G32.1Very low33.2Very low82 Ų82131.9 Ų131.985%0.84575%0.751SS**  trans78.7123.7150.500000117.2
57G34.2Very low33.1Very low67 Ų67130.6 Ų130.669%0.69175%0.745SS**  cis91.990.723.400000110.9
58F35.8Very low32.9Very low198 Ų198133.6 Ų133.687%0.86875%0.747SS**  83.2137.179.9-86.3-67.6000116.6
59A35.1Very low33Very low61 Ų61133.6 Ų133.650%0.50475%0.748SS.*  trans-161.4115.815400000109.5
60F36Very low33.4Very low172 Ų172134.2 Ų134.275%0.75475%0.752SS**  65.6154.992-80.3-66.5000115.9
61P37.7Very low33.6Very low76 Ų76131.8 Ų131.849%0.49475%0.747SS.*  cis-153.8170.938.243.7-20.9000121
62T35.5Very low34.1Very low119 Ų119135.1 Ų135.173%0.7375%0.754SS**  trans52.7130.2139.152.90000125.6
63S37.7Very low34.5Very low127 Ų127136.3 Ų136.389%0.88876%0.76SS**  137.3152.2110.866.90000115.3
64C28Very low34.6Very low118 Ų118133.4 Ų133.480%0.79776%0.762SS**  trans-124.3146.4-162.71770000110.7
65S34.9Very low35.1Very low117 Ų117133.8 Ų133.882%0.81877%0.768SS**  trans-172.3114.4154.2-770000106.7
66R32.3Very low35.4Very low226 Ų226132 Ų13285%0.85377%0.767SS**  88.3136.760.2-153.1-176.6-169.6-177.63.5113.2
67Q35Very low35.6Very low166 Ų166139 Ų13978%0.77677%0.767SS**  trans94.7133.4172.4-63.3176-25.600113.8
68E30.2Very low35.9Very low167 Ų167140.5 Ų140.578%0.7877%0.767SS**  cis-170.4163.835.3-138.9166.8157.400113
69S37.4Very low36.1Very low118 Ų118136.9 Ų136.983%0.82576%0.761SS**  trans78.9146.9148.780.80000119.8
70A40.9Very low36.3Very low98 Ų98142.3 Ų142.381%0.8178%0.781SS**  cis-157.1157.84.400000110.8
71S33.6Very low36.2Very low98 Ų98144.8 Ų144.869%0.68579%0.785SS**  trans-75.6148.8168.8490000113.7
72H40.6Very low36.4Very low187 Ų187153 Ų15387%0.86681%0.806SS**  trans-169.1154.8140.4-90.8-57000112.1
73P38.5Very low36.6Very low121 Ų121152.3 Ų152.379%0.78681%0.813SS**  trans-118.5174.9-138.740.6-29000117.3
74A33Very low36.5Very low89 Ų89151.5 Ų151.574%0.73681%0.807SS**  trans-68.5155.2179.800000116.4
75K39.3Very low37.3Very low192 Ų192154.4 Ų154.484%0.83581%0.806SS**  trans-177.1126.5130.5-101162-172.81740115.1
76K36.8Very low37.5Very low174 Ų174156.5 Ų156.576%0.75780%0.803SS**  trans85.7126.8130.7-83.8-180178.1-178.70123.3
77R35.9Very low37.6Very low228 Ų228151.7 Ų151.786%0.8680%0.799SS**  trans79.8137142.6-71.217199.8170.34.9115.3
78S39.1Very low37.7Very low98 Ų98149.6 Ų149.669%0.68580%0.803SS**  cis-171.1142.416.634.40000111.6
79V40.5Very low38.1Very low123 Ų123146.9 Ų146.975%0.74580%0.798SS**  trans59108.5132.7-173.60000119.2
80L38.5Very low38.3Very low175 Ų175151.7 Ų151.792%0.91680%0.798SS**  -157.7139.9120.9-13082.7000110.9
81R35.7Very low37.9Very low224 Ų224153.1 Ų153.185%0.84579%0.792SS**  trans-97168-166.6-78.7172.7149.1-170.4-6.2113.3
82R40.6Very low38.6Very low247 Ų247154.9 Ų154.993%0.93280%0.798SS**  trans108.1130.8152.3-59.7170.2-169.4172.23.5112.8
83A40.6Very low38.5Very low105 Ų105155 Ų15587%0.86880%0.797SS**  cis-156.2151.32.200000109.4
84S36Very low38.8Very low111 Ų111157.2 Ų157.278%0.77680%0.801SS**  trans-101.8149.5176.5-166.20000110.1
85K44.2Very low39.2Very low178 Ų178159.7 Ų159.777%0.77480%0.802SS**  trans161106.3149.8-92.4170179.4-171.20109.7
86E39.2Very low39.4Very low161 Ų161155.9 Ų155.975%0.75279%0.794SS**  87.2109.584.5-82.8175.9178.400113.9
87T34Very low39.6Very low126 Ų126156.9 Ų156.977%0.77380%0.799SS**  59.8107.1129.1-32.20000119.3
88S38.2Very low40.2Very low121 Ų121153.7 Ų153.785%0.84680%0.799SS**  trans-149.9102.4144.4-165.30000110.3
89T38.3Very low40.5Very low110 Ų110154.7 Ų154.768%0.67580%0.8SS**  trans-67.2160.3160.837.20000110.3
90R41Very low41.4Very low220 Ų220154.6 Ų154.683%0.8380%0.8SS**  trans101.1124.4171-69.3-165.8169.5107.8-3.3114.1
91N33.2Very low42.4Very low127 Ų127154.2 Ų154.268%0.67979%0.793SS**  cis-152.5158.511.4-71.2-46.8000106.1
92V46.7Very low44Very low136 Ų136150.4 Ų150.482%0.82478%0.783SS**  -173.9133.980167.30000107
93F38.6Very low46.1Very low190 Ų190141.6 Ų141.683%0.83375%0.752SS**  trans-62.4145.5179.3-86.4-114.6000113.6
94L44.8Very low48.2Very low167 Ų167141.3 Ų141.387%0.87473%0.729SS**  trans177.584.3131.7-87.3177.2000105.3
95D42.5Very low50.6Low141 Ų141136.8 Ų136.875%0.75470%0.696SS**  53.8116.2106.5-147.67.4000114.3
96T43.5Very low52.6Low111 Ų111130.1 Ų130.168%0.68167%0.674SS**SBendtrans82.9106.9169.574.50000120.3
97K41.6Very low54.9Low195 Ų195122.6 Ų122.685%0.84864%0.639SS**  trans49.879.2139.3-58.1-179.1178.3-177.50119.7
98D47.2Very low57.5Low161 Ų161119.8 Ų119.886%0.86162%0.624SS**  trans-103.179.2158.1-81.4-38.8000110.7V100D98-V100 VanDerWaalsContact C-N 3.34Å; D98-V100 PolarHBondContact O-N 3.32Å
99V46.7Very low59.7Low119 Ų119119 Ų11972%0.72161%0.61SS**  trans-67.799.8160.4-1780000105.3E101V99-E101 PolarHBondContact O-N 2.99Å
100V57.7Low62.1Low122 Ų122116 Ų11674%0.73959%0.593SS**  trans-63.996168-179.30000106.1D98 K102D98-V100 VanDerWaalsContact C-N 3.34Å; D98-V100 PolarHBondContact O-N 3.32Å; V100-K102 PolarHBondContact O-N 3.28Å
101E59.5Low64.3Low166 Ų166109.7 Ų109.778%0.77658%0.583SS**  trans-57.4101.4178.7-70.4-176.5169.800108.2V99 F103V99-E101 PolarHBondContact O-N 2.99Å; E101-F103 PolarHBondContact O-N 3.25Å; E101-F103 VanDerWaalsContact O-N 3.13Å
102K70.5Confident66.7Low145 Ų145111.2 Ų111.263%0.6358%0.579SS**  trans-71.9110.1175-70179.7-176.8174.30106.7V100 Y104V100-K102 PolarHBondContact O-N 3.28Å; K102-Y104 HydrophobicContact CB-CD2 4.49Å; K102-Y104 HydrophobicContact CB-CE2 3.74Å; K102-Y104 WeakPolarHBondContact O-CD2 3.15Å; K102-Y104 WeakPolarHBondContact O-CE2 2.94Å; K102-Y104 PolarHBondContact O-N 3.11Å
103F84.6Confident68.8Low61 Ų61113.4 Ų113.427%0.26857%0.573SS.*  trans-65.8129174.4166.9-107.5000110.7E101 I105 G116 I121 E123 S126E101-F103 PolarHBondContact O-N 3.25Å; E101-F103 VanDerWaalsContact O-N 3.13Å; F103-I105 HydrophobicContact CE1-CB 4.36Å; F103-I105 HydrophobicContact CZ-CB 4.01Å; F103-G116 PolarHBondContact O-N 3.27Å; F103-I121 HydrophobicContact CE1-CG2 4.15Å; F103-I121 WeakPolarHBondContact CE1-O 3.35Å; F103-E123 HydrophobicContact CD1-CB 4.45Å; F103-E123 HydrophobicContact CD2-CB 4.05Å; F103-E123 HydrophobicContact CD2-CG 3.84Å; F103-E123 HydrophobicContact CE2-CB 4.35Å; F103-E123 HydrophobicContact CE2-CG 4.08Å; F103-E123 HydrophobicContact CG-CB 4.15Å; F103-E123 HydrophobicContact CG-CG 4.41Å; F103-S126 WeakPolarHBondContact CE2-OG 3.22Å; F103-S126 VanDerWaalsContact CZ-OG 3.27Å; F103-S126 WeakPolarHBondContact CZ-OG 3.21Å
104Y84.8Confident71.2Confident100 Ų100106.8 Ų106.839%0.39254%0.543SS..EExtended strand (participates in β ladder)trans-118.6147.1174.3-64.8-98.8000110.9K102 F114 H115K102-Y104 HydrophobicContact CB-CD2 4.49Å; K102-Y104 HydrophobicContact CB-CE2 3.74Å; K102-Y104 WeakPolarHBondContact O-CD2 3.15Å; K102-Y104 WeakPolarHBondContact O-CE2 2.94Å; K102-Y104 PolarHBondContact O-N 3.11Å; Y104-F114 CarbonylContact C-O 3.05Å; Y104-F114 VanDerWaalsContact CA-O 3.22Å; Y104-F114 WeakPolarHBondContact CA-O 3.32Å; Y104-H115 AromaticContact CD1-CD2 3.77Å; Y104-H115 AromaticContact CE1-CD2 3.06Å; Y104-H115 WeakPolarHBondContact CE1-CD2 3.49Å; Y104-H115 AromaticContact CE1-CG 3.95Å; Y104-H115 AromaticContact CE1-NE2 3.12Å; Y104-H115 WeakPolarHBondContact CE1-NE2 3.15Å; Y104-H115 AromaticContact CZ-CD2 3.32Å; Y104-H115 AromaticContact CZ-NE2 3.29Å; Y104-H115 VanDerWaalsContact CZ-NE2 3.29Å; Y104-H115 PolarHBondContact OH-CD2 3.39Å; Y104-H115 PolarHBondContact OH-NE2 3.49Å
105I84.8Confident73.2Confident16 Ų16102.3 Ų102.38%0.08252%0.518CS..EExtended strand (participates in β ladder)trans-121.7138.2171.6-171.4166.6000110.2F103 F114 V119 I121 M129 W132F103-I105 HydrophobicContact CE1-CB 4.36Å; F103-I105 HydrophobicContact CZ-CB 4.01Å; I105-F114 HydrophobicContact CG2-CB 4.32Å; I105-F114 PolarHBondContact N-O 3.46Å; I105-F114 PolarHBondContact O-N 2.94Å; I105-V119 HydrophobicContact CG2-CG2 3.73Å; I105-I121 HydrophobicContact CD1-CD1 3.99Å; I105-I121 HydrophobicContact CD1-CG2 3.97Å; I105-M129 HydrophobicContact CD1-SD 3.49Å; I105-M129 WeakPolarHBondContact CD1-SD 3.44Å; I105-W132 HydrophobicContact CD1-CB 3.67Å; I105-W132 HydrophobicContact CD1-CD2 3.96Å; I105-W132 HydrophobicContact CD1-CE3 4.19Å; I105-W132 HydrophobicContact CD1-CG 3.73Å; I105-W132 HydrophobicContact CG1-CB 4.35Å; I105-W132 HydrophobicContact CG1-CD2 4.27Å; I105-W132 HydrophobicContact CG1-CE3 3.98Å; I105-W132 HydrophobicContact CG1-CG 4.44Å; I105-W132 HydrophobicContact CG2-CD2 4.36Å; I105-W132 HydrophobicContact CG2-CE3 4.02Å; I105-W132 HydrophobicContact CG2-CH2 4.3Å; I105-W132 HydrophobicContact CG2-CZ3 3.99Å
106A86.8Confident75.2Confident38 Ų3895.6 Ų95.631%0.31448%0.483SS..EExtended strand (participates in β ladder)trans-94.4134.8177.400000111.1S108 R112 W113A106-S108 PolarHBondContact O-N 3.41Å; A106-R112 WeakPolarHBondContact CA-O 3.27Å; A106-W113 HydrophobicContact CB-CD2 4.06Å; A106-W113 HydrophobicContact CB-CE3 4.17Å; A106-W113 HydrophobicContact CB-CH2 4.47Å; A106-W113 HydrophobicContact CB-CZ2 4.33Å; A106-W113 HydrophobicContact CB-CZ3 4.38Å
107C88.3Confident77.2Confident2 Ų297.7 Ų97.71%0.01449%0.488CS..  trans-71.5126.7170.1174.70000110.2L109 C110 S111 R112 F114 W132 C134 C137C107-L109 PolarHBondContact O-N 3.42Å; C107-L109 VanDerWaalsContact O-N 3.13Å; C107-C110 VanDerWaalsContact CB-SG 3.56Å; C107-S111 WeakPolarHBondContact O-CA 3.47Å; C107-S111 PolarHBondContact O-N 3.17Å; C107-R112 PolarHBondContact N-O 2.83Å; C107-F114 HydrophobicContact CB-CD2 4.48Å; C107-F114 HydrophobicContact CB-CE2 3.85Å; C107-W132 HydrophobicContact CB-CE3 4.15Å; C107-W132 HydrophobicContact CB-CZ3 3.84Å; C107-C134 HydrophobicContact CB-CB 4.01Å; C107-C134 PolarHBondContact SG-N 3.29Å; C107-C137 VanDerWaalsContact SG-SG 3.69Å
108S88.5Confident79.4Confident67 Ų6793 Ų9347%0.46948%0.478SS..THydrogen-bonded Turntrans-66.3-15.2-177.3-43.10000114A106 W132A106-S108 PolarHBondContact O-N 3.41Å; S108-W132 WeakPolarHBondContact CB-O 3.36Å; S108-W132 PolarHBondContact N-O 3.15Å; S108-W132 PolarHBondContact OG-N 3.01Å; S108-W132 PolarHBondContact OG-O 3.44Å
109L84.4Confident81.3Confident106 Ų10687 Ų8756%0.55545%0.448SS*.THydrogen-bonded Turntrans-103.7-44-176.1-71.8169.7000113.2C107 H133 C137C107-L109 PolarHBondContact O-N 3.42Å; C107-L109 VanDerWaalsContact O-N 3.13Å; L109-H133 HydrophobicContact CD1-CB 4.42Å; L109-H133 WeakPolarHBondContact CD1-CD2 3.48Å; L109-C137 HydrophobicContact CB-CB 4.01Å; L109-C137 HydrophobicContact CD1-CB 3.77Å
110C89.3Confident83.4Confident46 Ų4688.2 Ų88.231%0.31145%0.45SS..THydrogen-bonded Turntrans-107.4-2.5-177.9690000113.9C107 R112 C137C107-C110 VanDerWaalsContact CB-SG 3.56Å; C110-R112 PolarHBondContact O-N 3.19Å; C110-C137 VanDerWaalsContact SG-SG 3.7Å
111S85.5Confident84.7Confident88 Ų8883.1 Ų83.162%0.61542%0.418SS*.  trans56.115.4-179.9-52.10000115C107C107-S111 WeakPolarHBondContact O-CA 3.47Å; C107-S111 PolarHBondContact O-N 3.17Å
112R84.1Confident86Confident158 Ų15878.5 Ų78.560%0.59640%0.402SS*.  trans-74.6142.3171.9-67.7-177.9-179.6168.90.1109.5A106 C107 C110 F114A106-R112 WeakPolarHBondContact CA-O 3.27Å; C107-R112 PolarHBondContact N-O 2.83Å; C110-R112 PolarHBondContact O-N 3.19Å; R112-F114 HydrophobicContact CB-CD2 4.43Å; R112-F114 HydrophobicContact CB-CE2 3.55Å; R112-F114 HydrophobicContact CB-CZ 3.86Å; R112-F114 VanDerWaalsContact O-CD2 3.22Å; R112-F114 WeakPolarHBondContact O-CD2 3.22Å; R112-F114 WeakPolarHBondContact O-CE2 3.47Å
113W90.5Very high86.7Confident183 Ų18376.3 Ų76.369%0.69339%0.394SS*.EExtended strand (participates in β ladder)trans-94.9138.8177.4-65.878.9000110A106A106-W113 HydrophobicContact CB-CD2 4.06Å; A106-W113 HydrophobicContact CB-CE3 4.17Å; A106-W113 HydrophobicContact CB-CH2 4.47Å; A106-W113 HydrophobicContact CB-CZ2 4.33Å; A106-W113 HydrophobicContact CB-CZ3 4.38Å
114F88.9Confident86.7Confident50 Ų5077 Ų7722%0.21941%0.406CS..EExtended strand (participates in β ladder)trans-129.3140.2-177.5-62.6-98000108.8Y104 I105 C107 R112 G116 V119 W132 C134Y104-F114 CarbonylContact C-O 3.05Å; Y104-F114 VanDerWaalsContact CA-O 3.22Å; Y104-F114 WeakPolarHBondContact CA-O 3.32Å; I105-F114 HydrophobicContact CG2-CB 4.32Å; I105-F114 PolarHBondContact N-O 3.46Å; I105-F114 PolarHBondContact O-N 2.94Å; C107-F114 HydrophobicContact CB-CD2 4.48Å; C107-F114 HydrophobicContact CB-CE2 3.85Å; R112-F114 HydrophobicContact CB-CD2 4.43Å; R112-F114 HydrophobicContact CB-CE2 3.55Å; R112-F114 HydrophobicContact CB-CZ 3.86Å; R112-F114 VanDerWaalsContact O-CD2 3.22Å; R112-F114 WeakPolarHBondContact O-CD2 3.22Å; R112-F114 WeakPolarHBondContact O-CE2 3.47Å; F114-G116 PolarHBondContact O-N 3.07Å; F114-V119 HydrophobicContact CB-CG1 3.65Å; F114-V119 HydrophobicContact CB-CG2 4.23Å; F114-V119 HydrophobicContact CD1-CG1 3.84Å; F114-V119 HydrophobicContact CG-CG1 3.98Å; F114-W132 HydrophobicContact CB-CH2 4.06Å; F114-W132 HydrophobicContact CB-CZ3 4.36Å; F114-W132 HydrophobicContact CD1-CH2 4.32Å; F114-W132 AromaticContact CD2-CH2 3.55Å; F114-W132 HydrophobicContact CD2-CH2 3.55Å; F114-W132 AromaticContact CD2-CZ3 3.42Å; F114-W132 HydrophobicContact CD2-CZ3 3.42Å; F114-W132 VanDerWaalsContact CD2-CZ3 3.42Å; F114-W132 HydrophobicContact CE2-CH2 4.04Å; F114-W132 AromaticContact CE2-CZ3 3.9Å; F114-W132 HydrophobicContact CE2-CZ3 3.9Å; F114-W132 AromaticContact CG-CH2 3.71Å; F114-W132 HydrophobicContact CG-CH2 3.71Å; F114-W132 HydrophobicContact CG-CZ3 4.02Å; F114-C134 HydrophobicContact CD2-CB 4.31Å; F114-C134 HydrophobicContact CE1-CB 3.91Å; F114-C134 HydrophobicContact CE2-CB 3.49Å; F114-C134 VanDerWaalsContact CE2-CB 3.49Å; F114-C134 HydrophobicContact CZ-CB 3.25Å
115H86.6Confident86.7Confident73 Ų7376.2 Ų76.234%0.33841%0.406SS..EExtended strand (participates in β ladder)trans-61.7127.8168.4-60111.7000108.3Y104 I117 C118 V119Y104-H115 AromaticContact CD1-CD2 3.77Å; Y104-H115 AromaticContact CE1-CD2 3.06Å; Y104-H115 WeakPolarHBondContact CE1-CD2 3.49Å; Y104-H115 AromaticContact CE1-CG 3.95Å; Y104-H115 AromaticContact CE1-NE2 3.12Å; Y104-H115 WeakPolarHBondContact CE1-NE2 3.15Å; Y104-H115 AromaticContact CZ-CD2 3.32Å; Y104-H115 AromaticContact CZ-NE2 3.29Å; Y104-H115 VanDerWaalsContact CZ-NE2 3.29Å; Y104-H115 PolarHBondContact OH-CD2 3.39Å; Y104-H115 PolarHBondContact OH-NE2 3.49Å; H115-I117 PolarHBondContact O-N 2.95Å; H115-C118 HydrophobicContact CB-CB 3.92Å; H115-C118 WeakPolarHBondContact O-CB 3.06Å; H115-C118 PolarHBondContact O-N 3.36Å; H115-V119 PolarHBondContact O-N 3.43Å
116G84.5Confident86.7Confident1 Ų176.7 Ų76.71%0.0141%0.411CS..G310 helixtrans-54.5-40.2-179.800000112.3F103 F114 C118 V119 D120 I121F103-G116 PolarHBondContact O-N 3.27Å; F114-G116 PolarHBondContact O-N 3.07Å; G116-C118 VanDerWaalsContact C-N 3.31Å; G116-C118 PolarHBondContact O-N 2.9Å; G116-V119 CarbonylContact O-C 3.53Å; G116-V119 PolarHBondContact O-N 2.86Å; G116-V119 VanDerWaalsContact O-N 3.17Å; G116-D120 PolarHBondContact O-N 3.32Å; G116-I121 CarbonylContact C-O 3.13Å; G116-I121 WeakPolarHBondContact CA-O 3.21Å; G116-I121 PolarHBondContact O-N 3.31Å
117I86.1Confident86.5Confident155 Ų15582.3 Ų82.380%0.79543%0.428SS*.G310 helixtrans-62.3-35.4176-58.1170.3000112.2H115 V119H115-I117 PolarHBondContact O-N 2.95Å; I117-V119 VanDerWaalsContact C-N 3.27Å; I117-V119 PolarHBondContact O-N 2.87Å
118C87.2Confident86.2Confident95 Ų9590.1 Ų90.164%0.64246%0.464SS*.G310 helixtrans-76.8-14-179.9-660000113.3H115 G116H115-C118 HydrophobicContact CB-CB 3.92Å; H115-C118 WeakPolarHBondContact O-CB 3.06Å; H115-C118 PolarHBondContact O-N 3.36Å; G116-C118 VanDerWaalsContact C-N 3.31Å; G116-C118 PolarHBondContact O-N 2.9Å
119V88.7Confident85.7Confident36 Ų3689.8 Ų89.822%0.21846%0.456CS..G310 helixtrans-119.216.6178.4-610000112.5I105 F114 H115 G116 I117 I121 W132I105-V119 HydrophobicContact CG2-CG2 3.73Å; F114-V119 HydrophobicContact CB-CG1 3.65Å; F114-V119 HydrophobicContact CB-CG2 4.23Å; F114-V119 HydrophobicContact CD1-CG1 3.84Å; F114-V119 HydrophobicContact CG-CG1 3.98Å; H115-V119 PolarHBondContact O-N 3.43Å; G116-V119 CarbonylContact O-C 3.53Å; G116-V119 PolarHBondContact O-N 2.86Å; G116-V119 VanDerWaalsContact O-N 3.17Å; I117-V119 VanDerWaalsContact C-N 3.27Å; I117-V119 PolarHBondContact O-N 2.87Å; V119-I121 VanDerWaalsContact C-N 3.27Å; V119-I121 HydrophobicContact CG2-CB 4.18Å; V119-I121 HydrophobicContact CG2-CD1 4.17Å; V119-I121 HydrophobicContact CG2-CG1 4.27Å; V119-I121 PolarHBondContact O-N 3.33Å; V119-W132 HydrophobicContact CB-CH2 4.19Å; V119-W132 HydrophobicContact CB-CZ2 3.77Å; V119-W132 HydrophobicContact CG1-CH2 3.92Å; V119-W132 HydrophobicContact CG1-CZ2 3.95Å; V119-W132 HydrophobicContact CG2-CH2 4.12Å; V119-W132 HydrophobicContact CG2-CZ2 3.84Å
120D89.4Confident85.5Confident144 Ų14493.2 Ų93.277%0.7747%0.473SS*.THydrogen-bonded Turntrans54.638.4179.9-57.5-51.4000113.9G116 Q125G116-D120 PolarHBondContact O-N 3.32Å; D120-Q125 PolarHBondContact O-OE1 3.23Å
121I85.9Confident85.2Confident15 Ų1594 Ų948%0.07748%0.48CS..  trans-120.5120.3177.2-66.9174.1000110.9F103 I105 G116 V119 Q125 M129 W132F103-I121 HydrophobicContact CE1-CG2 4.15Å; F103-I121 WeakPolarHBondContact CE1-O 3.35Å; I105-I121 HydrophobicContact CD1-CD1 3.99Å; I105-I121 HydrophobicContact CD1-CG2 3.97Å; G116-I121 CarbonylContact C-O 3.13Å; G116-I121 WeakPolarHBondContact CA-O 3.21Å; G116-I121 PolarHBondContact O-N 3.31Å; V119-I121 VanDerWaalsContact C-N 3.27Å; V119-I121 HydrophobicContact CG2-CB 4.18Å; V119-I121 HydrophobicContact CG2-CD1 4.17Å; V119-I121 HydrophobicContact CG2-CG1 4.27Å; V119-I121 PolarHBondContact O-N 3.33Å; I121-Q125 HydrophobicContact CG2-CB 4.24Å; I121-M129 HydrophobicContact CD1-CE 3.9Å; I121-M129 HydrophobicContact CD1-SD 4.14Å; I121-M129 HydrophobicContact CG1-CE 4.18Å; I121-M129 HydrophobicContact CG2-CE 3.75Å; I121-M129 HydrophobicContact CG2-SD 4.37Å; I121-W132 HydrophobicContact CD1-CD2 3.99Å; I121-W132 HydrophobicContact CD1-CG 3.8Å; I121-W132 HydrophobicContact CD1-CZ2 4.24Å
122T86.2Confident85.3Confident69 Ų6991.8 Ų91.842%0.42346%0.458SS..  trans-82.8159.1170.966.50000111.1S124 Q125 S126T122-S124 PolarHBondContact O-N 3.32Å; T122-S124 PolarHBondContact OG1-OG 3.11Å; T122-Q125 PolarHBondContact O-N 2.96Å; T122-Q125 VanDerWaalsContact O-N 3.11Å; T122-Q125 VanDerWaalsContact OG1-CG 3.32Å; T122-Q125 WeakPolarHBondContact OG1-CG 3.48Å; T122-Q125 PolarHBondContact OG1-N 3.13Å; T122-Q125 PolarHBondContact OG1-OE1 2.76Å; T122-S126 PolarHBondContact O-N 2.89Å
123E85.2Confident85.5Confident100 Ų10086 Ų8647%0.46744%0.437SS..Hα-helixtrans-60.2-32.1174.8-164.2-162.4146.600112.5F103 S126 K127F103-E123 HydrophobicContact CD1-CB 4.45Å; F103-E123 HydrophobicContact CD2-CB 4.05Å; F103-E123 HydrophobicContact CD2-CG 3.84Å; F103-E123 HydrophobicContact CE2-CB 4.35Å; F103-E123 HydrophobicContact CE2-CG 4.08Å; F103-E123 HydrophobicContact CG-CB 4.15Å; F103-E123 HydrophobicContact CG-CG 4.41Å; E123-S126 PolarHBondContact O-N 2.83Å; E123-S126 PolarHBondContact O-OG 3.18Å; E123-K127 WeakPolarHBondContact O-CG 3.19Å; E123-K127 PolarHBondContact O-N 3.5Å; E123-K127 VanDerWaalsContact OE1-CE 3.24Å; E123-K127 WeakPolarHBondContact OE1-CE 3.48Å; E123-K127 IonicContact OE1-NZ 2.7Å; E123-K127 PolarHBondContact OE1-NZ 3Å
124S85.2Confident85.5Confident76 Ų7677.4 Ų77.453%0.53141%0.405SS..Hα-helixtrans-66.2-38.3174.851.70000112.6T122T122-S124 PolarHBondContact O-N 3.32Å; T122-S124 PolarHBondContact OG1-OG 3.11Å
125Q85.7Confident85.6Confident83 Ų8383.9 Ų83.939%0.38843%0.428SS..Hα-helixtrans-71.5-39176-71.9169.4-2900111.5D120 I121 T122 K127 Q128 M129D120-Q125 PolarHBondContact O-OE1 3.23Å; I121-Q125 HydrophobicContact CG2-CB 4.24Å; T122-Q125 PolarHBondContact O-N 2.96Å; T122-Q125 VanDerWaalsContact O-N 3.11Å; T122-Q125 VanDerWaalsContact OG1-CG 3.32Å; T122-Q125 WeakPolarHBondContact OG1-CG 3.48Å; T122-Q125 PolarHBondContact OG1-N 3.13Å; T122-Q125 PolarHBondContact OG1-OE1 2.76Å; Q125-K127 PolarHBondContact O-N 3.05Å; Q125-Q128 PolarHBondContact O-N 2.84Å; Q125-M129 HydrophobicContact CB-CE 3.93Å; Q125-M129 WeakPolarHBondContact O-CE 3.38Å; Q125-M129 WeakPolarHBondContact O-CG 3.12Å; Q125-M129 PolarHBondContact O-N 2.91Å
126S84.3Confident85.7Confident26 Ų2684.9 Ų84.918%0.18244%0.436CS..Hα-helixtrans-61.6-34.6-179.575.90000112.5F103 T122 E123 Q128 M129F103-S126 WeakPolarHBondContact CE2-OG 3.22Å; F103-S126 VanDerWaalsContact CZ-OG 3.27Å; F103-S126 WeakPolarHBondContact CZ-OG 3.21Å; T122-S126 PolarHBondContact O-N 2.89Å; E123-S126 PolarHBondContact O-N 2.83Å; E123-S126 PolarHBondContact O-OG 3.18Å; S126-Q128 VanDerWaalsContact C-N 3.27Å; S126-Q128 PolarHBondContact O-N 3.1Å; S126-M129 WeakPolarHBondContact O-CG 3.39Å; S126-M129 PolarHBondContact O-N 3.32Å
127K81.6Confident85.9Confident155 Ų15585.9 Ų85.967%0.67444%0.442SS*.THydrogen-bonded Turntrans-67-24.3173.8-69.8172.2-174.4169.50113.7E123 Q125E123-K127 WeakPolarHBondContact O-CG 3.19Å; E123-K127 PolarHBondContact O-N 3.5Å; E123-K127 VanDerWaalsContact OE1-CE 3.24Å; E123-K127 WeakPolarHBondContact OE1-CE 3.48Å; E123-K127 IonicContact OE1-NZ 2.7Å; E123-K127 PolarHBondContact OE1-NZ 3Å; Q125-K127 PolarHBondContact O-N 3.05Å
128Q81.9Confident85.9Confident166 Ų16683.1 Ų83.178%0.77643%0.426SS*.THydrogen-bonded Turntrans-92-12.7-179.8-66179.3-7.600113.3Q125 S126Q125-Q128 PolarHBondContact O-N 2.84Å; S126-Q128 VanDerWaalsContact C-N 3.27Å; S126-Q128 PolarHBondContact O-N 3.1Å
129M77.6Confident85.8Confident60 Ų6083.9 Ų83.930%0.29642%0.419SS..  trans-99.8127.6-178.456.5-176.27300112I105 I121 Q125 S126 W132I105-M129 HydrophobicContact CD1-SD 3.49Å; I105-M129 WeakPolarHBondContact CD1-SD 3.44Å; I121-M129 HydrophobicContact CD1-CE 3.9Å; I121-M129 HydrophobicContact CD1-SD 4.14Å; I121-M129 HydrophobicContact CG1-CE 4.18Å; I121-M129 HydrophobicContact CG2-CE 3.75Å; I121-M129 HydrophobicContact CG2-SD 4.37Å; Q125-M129 HydrophobicContact CB-CE 3.93Å; Q125-M129 WeakPolarHBondContact O-CE 3.38Å; Q125-M129 WeakPolarHBondContact O-CG 3.12Å; Q125-M129 PolarHBondContact O-N 2.91Å; S126-M129 WeakPolarHBondContact O-CG 3.39Å; S126-M129 PolarHBondContact O-N 3.32Å; M129-W132 HydrophobicContact SD-CB 3.64Å; M129-W132 HydrophobicContact SD-CG 4.03Å
130I81.6Confident85.3Confident178 Ų17886.4 Ų86.491%0.91343%0.428SS*.SBendtrans-74.5-34.2177.2-60.3171.1000111.2
131S82.4Confident84.7Confident64 Ų6486.3 Ų86.345%0.44842%0.417SS..  trans-149.6126.5-178.962.80000109.8
132W88.6Confident84Confident40 Ų4090.2 Ų90.215%0.15244%0.435CS..  trans-111.6147.2171-178.874000111.2I105 C107 S108 F114 V119 I121 M129 C134I105-W132 HydrophobicContact CD1-CB 3.67Å; I105-W132 HydrophobicContact CD1-CD2 3.96Å; I105-W132 HydrophobicContact CD1-CE3 4.19Å; I105-W132 HydrophobicContact CD1-CG 3.73Å; I105-W132 HydrophobicContact CG1-CB 4.35Å; I105-W132 HydrophobicContact CG1-CD2 4.27Å; I105-W132 HydrophobicContact CG1-CE3 3.98Å; I105-W132 HydrophobicContact CG1-CG 4.44Å; I105-W132 HydrophobicContact CG2-CD2 4.36Å; I105-W132 HydrophobicContact CG2-CE3 4.02Å; I105-W132 HydrophobicContact CG2-CH2 4.3Å; I105-W132 HydrophobicContact CG2-CZ3 3.99Å; C107-W132 HydrophobicContact CB-CE3 4.15Å; C107-W132 HydrophobicContact CB-CZ3 3.84Å; S108-W132 WeakPolarHBondContact CB-O 3.36Å; S108-W132 PolarHBondContact N-O 3.15Å; S108-W132 PolarHBondContact OG-N 3.01Å; S108-W132 PolarHBondContact OG-O 3.44Å; F114-W132 HydrophobicContact CB-CH2 4.06Å; F114-W132 HydrophobicContact CB-CZ3 4.36Å; F114-W132 HydrophobicContact CD1-CH2 4.32Å; F114-W132 AromaticContact CD2-CH2 3.55Å; F114-W132 HydrophobicContact CD2-CH2 3.55Å; F114-W132 AromaticContact CD2-CZ3 3.42Å; F114-W132 HydrophobicContact CD2-CZ3 3.42Å; F114-W132 VanDerWaalsContact CD2-CZ3 3.42Å; F114-W132 HydrophobicContact CE2-CH2 4.04Å; F114-W132 AromaticContact CE2-CZ3 3.9Å; F114-W132 HydrophobicContact CE2-CZ3 3.9Å; F114-W132 AromaticContact CG-CH2 3.71Å; F114-W132 HydrophobicContact CG-CH2 3.71Å; F114-W132 HydrophobicContact CG-CZ3 4.02Å; V119-W132 HydrophobicContact CB-CH2 4.19Å; V119-W132 HydrophobicContact CB-CZ2 3.77Å; V119-W132 HydrophobicContact CG1-CH2 3.92Å; V119-W132 HydrophobicContact CG1-CZ2 3.95Å; V119-W132 HydrophobicContact CG2-CH2 4.12Å; V119-W132 HydrophobicContact CG2-CZ2 3.84Å; I121-W132 HydrophobicContact CD1-CD2 3.99Å; I121-W132 HydrophobicContact CD1-CG 3.8Å; I121-W132 HydrophobicContact CD1-CZ2 4.24Å; M129-W132 HydrophobicContact SD-CB 3.64Å; M129-W132 HydrophobicContact SD-CG 4.03Å; W132-C134 HydrophobicContact CH2-CB 3.7Å; W132-C134 HydrophobicContact CZ2-CB 4.36Å; W132-C134 HydrophobicContact CZ3-CB 4.06Å
133H88.5Confident83Confident37 Ų3794.7 Ų94.717%0.17144%0.444CS..  trans-128.3132.4-179.6-47.3101.2000108.2L109 C137L109-H133 HydrophobicContact CD1-CB 4.42Å; L109-H133 WeakPolarHBondContact CD1-CD2 3.48Å; H133-C137 HydrophobicContact CB-CB 4.38Å
134C89.9Confident81.8Confident2 Ų293.4 Ų93.41%0.01444%0.443CS..  trans-65.5160.9173.871.70000111C107 F114 W132 D136 C137 Q138C107-C134 HydrophobicContact CB-CB 4.01Å; C107-C134 PolarHBondContact SG-N 3.29Å; F114-C134 HydrophobicContact CD2-CB 4.31Å; F114-C134 HydrophobicContact CE1-CB 3.91Å; F114-C134 HydrophobicContact CE2-CB 3.49Å; F114-C134 VanDerWaalsContact CE2-CB 3.49Å; F114-C134 HydrophobicContact CZ-CB 3.25Å; W132-C134 HydrophobicContact CH2-CB 3.7Å; W132-C134 HydrophobicContact CZ2-CB 4.36Å; W132-C134 HydrophobicContact CZ3-CB 4.06Å; C134-D136 PolarHBondContact O-N 2.83Å; C134-D136 VanDerWaalsContact O-N 3.1Å; C134-C137 PolarHBondContact O-N 3Å; C134-Q138 PolarHBondContact O-N 3.42Å
135R89.8Confident80.8Confident186 Ų18694.6 Ų94.670%0.70245%0.446SS*.Hα-helixtrans-51.3-37.4-178.8-166.2177.2-173.4-161.33.6113.3K139R135-K139 WeakPolarHBondContact O-CG 3.32Å; R135-K139 PolarHBondContact O-N 2.98Å
136D89.4Confident79.6Confident95 Ų9595.6 Ų95.651%0.50845%0.451SS..Hα-helixtrans-69.5-47.5179-57.5-31.9000111.7C134 Q138 K139 E140C134-D136 PolarHBondContact O-N 2.83Å; C134-D136 VanDerWaalsContact O-N 3.1Å; D136-Q138 VanDerWaalsContact C-N 3.28Å; D136-Q138 PolarHBondContact O-N 3.17Å; D136-K139 PolarHBondContact O-N 3.46Å; D136-E140 PolarHBondContact O-N 3.4Å
137C88.3Confident78.6Confident21 Ų21101.3 Ų101.314%0.14248%0.475CS..Hα-helixtrans-66.6-32.3177.1-690000112.2C107 L109 C110 H133 C134 R141C107-C137 VanDerWaalsContact SG-SG 3.69Å; L109-C137 HydrophobicContact CB-CB 4.01Å; L109-C137 HydrophobicContact CD1-CB 3.77Å; C110-C137 VanDerWaalsContact SG-SG 3.7Å; H133-C137 HydrophobicContact CB-CB 4.38Å; C134-C137 PolarHBondContact O-N 3Å; C137-R141 WeakPolarHBondContact O-CB 3.11Å; C137-R141 PolarHBondContact O-N 3.28Å
138Q86.5Confident78.4Confident97 Ų9797.4 Ų97.445%0.45346%0.461SS..Hα-helixtrans-67-46.2174.1-171.7178.8-39.100111.3C134 D136 E140 R141 E142C134-Q138 PolarHBondContact O-N 3.42Å; D136-Q138 VanDerWaalsContact C-N 3.28Å; D136-Q138 PolarHBondContact O-N 3.17Å; Q138-E140 VanDerWaalsContact C-N 3.34Å; Q138-E140 PolarHBondContact O-N 3.07Å; Q138-R141 CarbonylContact O-C 3.5Å; Q138-R141 WeakPolarHBondContact O-CB 3.28Å; Q138-R141 PolarHBondContact O-N 3.38Å; Q138-R141 VanDerWaalsContact O-N 3.15Å; Q138-E142 WeakPolarHBondContact CG-OE1 3.35Å; Q138-E142 PolarHBondContact NE2-OE1 2.94Å; Q138-E142 WeakPolarHBondContact O-CG 3.41Å; Q138-E142 PolarHBondContact O-N 3.14Å
139K84.6Confident78.3Confident112 Ų11291.1 Ų91.149%0.48743%0.432SS..Hα-helixtrans-59.7-42.4174.8-78178.3178.2-176.80112.6R135 D136 R141 E142 R143R135-K139 WeakPolarHBondContact O-CG 3.32Å; R135-K139 PolarHBondContact O-N 2.98Å; D136-K139 PolarHBondContact O-N 3.46Å; K139-R141 VanDerWaalsContact C-N 3.28Å; K139-R141 PolarHBondContact O-N 3.34Å; K139-E142 PolarHBondContact O-N 3.46Å; K139-R143 WeakPolarHBondContact O-CB 3.46Å; K139-R143 PolarHBondContact O-N 2.93Å
140E79.3Confident78.7Confident88 Ų8888.7 Ų88.741%0.41142%0.42SS..Hα-helixtrans-65.2-36.9177-168.459.7-147.800111.2D136 Q138 R143 T144D136-E140 PolarHBondContact O-N 3.4Å; Q138-E140 VanDerWaalsContact C-N 3.34Å; Q138-E140 PolarHBondContact O-N 3.07Å; E140-R143 PolarHBondContact O-N 3Å; E140-T144 WeakPolarHBondContact O-CG2 3.41Å; E140-T144 PolarHBondContact O-N 2.99Å; E140-T144 PolarHBondContact O-OG1 3.11Å
141R76.6Confident78.8Confident143 Ų14384.7 Ų84.754%0.5440%0.4SS..Hα-helixtrans-66.1-43.5173.3-167.2176.3177.2-145.4-2.6111.8C137 Q138 K139 R143 T144 V145C137-R141 WeakPolarHBondContact O-CB 3.11Å; C137-R141 PolarHBondContact O-N 3.28Å; Q138-R141 CarbonylContact O-C 3.5Å; Q138-R141 WeakPolarHBondContact O-CB 3.28Å; Q138-R141 PolarHBondContact O-N 3.38Å; Q138-R141 VanDerWaalsContact O-N 3.15Å; K139-R141 VanDerWaalsContact C-N 3.28Å; K139-R141 PolarHBondContact O-N 3.34Å; R141-R143 VanDerWaalsContact C-N 3.28Å; R141-R143 PolarHBondContact O-N 2.8Å; R141-T144 WeakPolarHBondContact CA-OG1 2.87Å; R141-T144 PolarHBondContact O-N 3.4Å; R141-T144 PolarHBondContact O-OG1 2.96Å; R141-V145 HydrophobicContact CG-CG2 4.05Å; R141-V145 VanDerWaalsContact O-CB 3.28Å; R141-V145 WeakPolarHBondContact O-CB 3.46Å; R141-V145 WeakPolarHBondContact O-CG2 3.19Å; R141-V145 PolarHBondContact O-N 3.34Å
142E70.4Confident79.1Confident96 Ų9684.3 Ų84.345%0.44940%0.397SS..Hα-helixtrans-60.5-40.2175.4-73.1165.4-169.600111.3Q138 K139 T144 V145 Q146Q138-E142 WeakPolarHBondContact CG-OE1 3.35Å; Q138-E142 PolarHBondContact NE2-OE1 2.94Å; Q138-E142 WeakPolarHBondContact O-CG 3.41Å; Q138-E142 PolarHBondContact O-N 3.14Å; K139-E142 PolarHBondContact O-N 3.46Å; E142-T144 VanDerWaalsContact C-N 3.34Å; E142-T144 PolarHBondContact O-N 2.92Å; E142-V145 PolarHBondContact O-N 3.39Å; E142-Q146 WeakPolarHBondContact O-CG 3.4Å; E142-Q146 PolarHBondContact O-N 3.19Å
143R65.6Low78.7Confident164 Ų16490.4 Ų90.462%0.61942%0.42SS*.Hα-helixtrans-64.3-36.5175.4-169.2-179.1-177.5-139.70.8113.1K139 E140 R141K139-R143 WeakPolarHBondContact O-CB 3.46Å; K139-R143 PolarHBondContact O-N 2.93Å; E140-R143 PolarHBondContact O-N 3Å; R141-R143 VanDerWaalsContact C-N 3.28Å; R141-R143 PolarHBondContact O-N 2.8Å
144T61.2Low78.3Confident72 Ų7291.1 Ų91.144%0.44243%0.427SS..Hα-helixtrans-82.1-23.8177.350.60000113.2E140 R141 E142E140-T144 WeakPolarHBondContact O-CG2 3.41Å; E140-T144 PolarHBondContact O-N 2.99Å; E140-T144 PolarHBondContact O-OG1 3.11Å; R141-T144 WeakPolarHBondContact CA-OG1 2.87Å; R141-T144 PolarHBondContact O-N 3.4Å; R141-T144 PolarHBondContact O-OG1 2.96Å; E142-T144 VanDerWaalsContact C-N 3.34Å; E142-T144 PolarHBondContact O-N 2.92Å
145V62.9Low77.8Confident101 Ų10193.8 Ų93.861%0.61244%0.444SS*.Hα-helixtrans-82-24.2175171.80000111.8R141 E142 E147R141-V145 HydrophobicContact CG-CG2 4.05Å; R141-V145 VanDerWaalsContact O-CB 3.28Å; R141-V145 WeakPolarHBondContact O-CB 3.46Å; R141-V145 WeakPolarHBondContact O-CG2 3.19Å; R141-V145 PolarHBondContact O-N 3.34Å; E142-V145 PolarHBondContact O-N 3.39Å; V145-E147 PolarHBondContact O-N 3.07Å; V145-E147 VanDerWaalsContact O-N 3.11Å
146Q60.3Low77.4Confident104 Ų10488.2 Ų88.249%0.48642%0.424SS..SBendtrans-55.7120167.3-78.9176.7500109E142 L148 P155E142-Q146 WeakPolarHBondContact O-CG 3.4Å; E142-Q146 PolarHBondContact O-N 3.19Å; Q146-L148 PolarHBondContact O-N 2.9Å; Q146-P155 HydrophobicContact CB-CB 4.43Å
147E64.4Low77.1Confident147 Ų14786.3 Ų86.369%0.68741%0.413SS*.  trans-56.9110.1177.1-71.8176.7167.600108.5V145 H149V145-E147 PolarHBondContact O-N 3.07Å; V145-E147 VanDerWaalsContact O-N 3.11Å; E147-H149 PolarHBondContact O-CE1 3.39Å; E147-H149 PolarHBondContact O-ND1 2.89Å
148L77Confident76.8Confident73 Ų7391.3 Ų91.338%0.38243%0.434SS..EExtended strand (participates in β ladder)trans-83.1121.8178.5-61.3-179.5000108.4Q146 R153Q146-L148 PolarHBondContact O-N 2.9Å; L148-R153 HydrophobicContact CB-CB 4.49Å; L148-R153 HydrophobicContact CD1-CB 4.22Å
149H78.8Confident76.6Confident33 Ų3391 Ų9115%0.15344%0.443CS..EExtended strand (participates in β ladder)trans-101.6166-179.9-57.388.9000110E147 R153 T154 Y162 W171E147-H149 PolarHBondContact O-CE1 3.39Å; E147-H149 PolarHBondContact O-ND1 2.89Å; H149-R153 PolarHBondContact O-N 2.62Å; H149-T154 PolarHBondContact N-O 3.01Å; H149-T154 PolarHBondContact O-N 3.47Å; H149-Y162 HydrophobicContact CB-CE1 4.17Å; H149-W171 HydrophobicContact CB-CB 4.31Å; H149-W171 AromaticContact CD2-CD1 3.95Å
150C86.8Confident76.7Confident9 Ų990.2 Ų90.26%0.06144%0.437CS..THydrogen-bonded Turntrans64171.5175.2-166.20000115C152 R153 W171 H173 C176C150-C152 PolarHBondContact O-N 3.43Å; C150-R153 PolarHBondContact O-N 3.25Å; C150-W171 WeakPolarHBondContact CA-O 3.27Å; C150-W171 PolarHBondContact N-O 2.81Å; C150-H173 VanDerWaalsContact CB-ND1 3.27Å; C150-H173 WeakPolarHBondContact CB-ND1 3.18Å; C150-H173 PolarHBondContact SG-N 3.45Å; C150-H173 PolarHBondContact SG-ND1 3.01Å; C150-C176 WeakPolarHBondContact SG-CB 3.31Å; C150-C176 VanDerWaalsContact SG-SG 3.67Å
151I84.6Confident77.1Confident94 Ų9487.1 Ų87.148%0.48243%0.425SS..THydrogen-bonded Turntrans-64.6-24172.156.7172.5000112.6R153 F172 C176 I194I151-R153 VanDerWaalsContact C-N 3.3Å; I151-R153 PolarHBondContact O-N 3.15Å; I151-F172 HydrophobicContact CG2-CD1 4.02Å; I151-F172 HydrophobicContact CG2-CE1 3.82Å; I151-C176 HydrophobicContact CD1-CB 4.19Å; I151-C176 HydrophobicContact CG1-CB 4.01Å; I151-I194 HydrophobicContact CG2-CD1 4.36Å
152C86.8Confident77.8Confident56 Ų5681 Ų8138%0.37840%0.402SS..THydrogen-bonded Turntrans-81.8-5.7179.664.90000113.8C150 T154 H173C150-C152 PolarHBondContact O-N 3.43Å; C152-T154 HydrophobicContact CB-CG2 4.47Å; C152-T154 PolarHBondContact O-N 3.17Å; C152-T154 PolarHBondContact SG-OG1 3.07Å; C152-H173 PolarHBondContact SG-CE1 3.03Å; C152-H173 PolarHBondContact SG-ND1 3.23Å
153R81.7Confident78.7Confident169 Ų16976.9 Ų76.964%0.63838%0.383SS*.THydrogen-bonded Turntrans53.751177.3-59.1-63-169.5173.80.9112.9L148 H149 C150 I151L148-R153 HydrophobicContact CB-CB 4.49Å; L148-R153 HydrophobicContact CD1-CB 4.22Å; H149-R153 PolarHBondContact O-N 2.62Å; C150-R153 PolarHBondContact O-N 3.25Å; I151-R153 VanDerWaalsContact C-N 3.3Å; I151-R153 PolarHBondContact O-N 3.15Å
154T79.2Confident79.8Confident52 Ų5271.1 Ų71.132%0.31937%0.368SS..EExtended strand (participates in β ladder)trans-109.1151.1176.752.10000110.7H149 C152 H173H149-T154 PolarHBondContact N-O 3.01Å; H149-T154 PolarHBondContact O-N 3.47Å; C152-T154 HydrophobicContact CB-CG2 4.47Å; C152-T154 PolarHBondContact O-N 3.17Å; C152-T154 PolarHBondContact SG-OG1 3.07Å; T154-H173 PolarHBondContact OG1-CE1 3.08Å
155P80.7Confident81.1Confident58 Ų5867.7 Ų67.738%0.37735%0.347SS..EExtended strand (participates in β ladder)trans-63.2163.6174.428.9-35.4000110.6Q146 D157Q146-P155 HydrophobicContact CB-CB 4.43Å; P155-D157 PolarHBondContact O-N 3.44Å
156Y79.5Confident82Confident69 Ų6967.2 Ų67.227%0.27134%0.341SS..  trans-57.7133.9176-177.8-107.7000111.2E158 Y162Y156-E158 HydrophobicContact CD1-CG 4.2Å; Y156-E158 HydrophobicContact CE1-CB 4.49Å; Y156-E158 HydrophobicContact CE1-CG 3.44Å; Y156-E158 VanDerWaalsContact CE1-CG 3.44Å; Y156-Y162 HydrophobicContact CD2-CE2 4.13Å; Y156-Y162 HydrophobicContact CE2-CD2 4.28Å; Y156-Y162 AromaticContact CE2-CE2 3.98Å; Y156-Y162 HydrophobicContact CE2-CE2 3.98Å
157D83.7Confident82.8Confident55 Ų5565.7 Ų65.729%0.29434%0.338SS..  trans-133.6108.3-176.9177-0.6000108P155 S159 R160 Y162P155-D157 PolarHBondContact O-N 3.44Å; D157-S159 VanDerWaalsContact CG-OG 3.23Å; D157-S159 PolarHBondContact O-N 3.29Å; D157-S159 VanDerWaalsContact O-N 3.15Å; D157-S159 WeakPolarHBondContact OD1-CB 3.08Å; D157-S159 PolarHBondContact OD1-N 3.4Å; D157-S159 PolarHBondContact OD1-OG 3.34Å; D157-S159 PolarHBondContact OD2-OG 3Å; D157-R160 HydrophobicContact CB-CG 4.47Å; D157-R160 PolarHBondContact O-N 3.49Å; D157-R160 VanDerWaalsContact OD2-CD 3.31Å; D157-R160 WeakPolarHBondContact OD2-CD 3.49Å; D157-R160 WeakPolarHBondContact OD2-CG 3.31Å; D157-R160 IonicContact OD2-NE 3.31Å; D157-R160 PolarHBondContact OD2-NE 3.37Å; D157-Y162 PolarHBondContact N-OH 3.31Å; D157-Y162 VanDerWaalsContact O-CE2 3.27Å; D157-Y162 WeakPolarHBondContact O-CE2 3.17Å; D157-Y162 PolarHBondContact O-OH 3.14Å
158E82.2Confident83.6Confident125 Ų12561.8 Ų61.858%0.58433%0.326SS*.THydrogen-bonded Turntrans-62-19.4-177.2-70.2177.6178.400113.4Y156 R160Y156-E158 HydrophobicContact CD1-CG 4.2Å; Y156-E158 HydrophobicContact CE1-CB 4.49Å; Y156-E158 HydrophobicContact CE1-CG 3.44Å; Y156-E158 VanDerWaalsContact CE1-CG 3.44Å; E158-R160 VanDerWaalsContact C-N 3.3Å; E158-R160 PolarHBondContact O-N 2.75Å
159S83Confident83.9Confident91 Ų9165.7 Ų65.764%0.63634%0.343SS*.THydrogen-bonded Turntrans-79.2-11.9-178.471.60000113.9D157D157-S159 VanDerWaalsContact CG-OG 3.23Å; D157-S159 PolarHBondContact O-N 3.29Å; D157-S159 VanDerWaalsContact O-N 3.15Å; D157-S159 WeakPolarHBondContact OD1-CB 3.08Å; D157-S159 PolarHBondContact OD1-N 3.4Å; D157-S159 PolarHBondContact OD1-OG 3.34Å; D157-S159 PolarHBondContact OD2-OG 3Å
160R85.4Confident84.1Confident96 Ų9665.2 Ų65.236%0.36235%0.346SS..SBendtrans-106.8139.5-175.1-66.3176.2-180-102-3.4111.4D157 E158 Y162 E175D157-R160 HydrophobicContact CB-CG 4.47Å; D157-R160 PolarHBondContact O-N 3.49Å; D157-R160 VanDerWaalsContact OD2-CD 3.31Å; D157-R160 WeakPolarHBondContact OD2-CD 3.49Å; D157-R160 WeakPolarHBondContact OD2-CG 3.31Å; D157-R160 IonicContact OD2-NE 3.31Å; D157-R160 PolarHBondContact OD2-NE 3.37Å; E158-R160 VanDerWaalsContact C-N 3.3Å; E158-R160 PolarHBondContact O-N 2.75Å; R160-Y162 HydrophobicContact CB-CE2 4.05Å; R160-Y162 WeakPolarHBondContact O-CD2 3.38Å; R160-Y162 WeakPolarHBondContact O-CE2 3.44Å; R160-E175 IonicContact NH1-OE2 2.69Å; R160-E175 PolarHBondContact NH1-OE2 3.41Å; R160-E175 VanDerWaalsContact NH1-OE2 3.08Å
161P89.4Confident84.2Confident23 Ų2368.2 Ų68.215%0.14936%0.356CS..  trans-73.5136.4171.830.8-34.1000110.6H173 C174 A181P161-H173 WeakPolarHBondContact O-CA 2.84Å; P161-C174 HydrophobicContact CB-CB 4.37Å; P161-C174 HydrophobicContact CG-CB 4.08Å; P161-C174 PolarHBondContact O-N 2.96Å; P161-A181 HydrophobicContact CB-CB 4.07Å; P161-A181 HydrophobicContact CG-CB 4.39Å
162Y90.3Very high84.5Confident14 Ų1464.3 Ų64.36%0.05534%0.336CS..EExtended strand (participates in β ladder)trans-117.5150.8175.9-66.1-106.5000111.9H149 Y156 D157 R160 W171 F172 H173H149-Y162 HydrophobicContact CB-CE1 4.17Å; Y156-Y162 HydrophobicContact CD2-CE2 4.13Å; Y156-Y162 HydrophobicContact CE2-CD2 4.28Å; Y156-Y162 AromaticContact CE2-CE2 3.98Å; Y156-Y162 HydrophobicContact CE2-CE2 3.98Å; D157-Y162 PolarHBondContact N-OH 3.31Å; D157-Y162 VanDerWaalsContact O-CE2 3.27Å; D157-Y162 WeakPolarHBondContact O-CE2 3.17Å; D157-Y162 PolarHBondContact O-OH 3.14Å; R160-Y162 HydrophobicContact CB-CE2 4.05Å; R160-Y162 WeakPolarHBondContact O-CD2 3.38Å; R160-Y162 WeakPolarHBondContact O-CE2 3.44Å; Y162-W171 HydrophobicContact CD1-CB 4.12Å; Y162-F172 CarbonylContact C-O 3.59Å; Y162-F172 WeakPolarHBondContact CA-O 3.48Å; Y162-H173 AromaticContact CD1-CD2 3.93Å; Y162-H173 AromaticContact CE1-CD2 3.31Å; Y162-H173 WeakPolarHBondContact CE1-CD2 3.38Å; Y162-H173 AromaticContact CE1-CE1 3.91Å; Y162-H173 AromaticContact CE1-NE2 3.18Å; Y162-H173 WeakPolarHBondContact CE1-NE2 3.27Å; Y162-H173 AromaticContact CE2-CD2 3.87Å; Y162-H173 AromaticContact CZ-CD2 3.27Å; Y162-H173 AromaticContact CZ-NE2 3.11Å; Y162-H173 PolarHBondContact OH-CD2 3.24Å; Y162-H173 PolarHBondContact OH-NE2 3.28Å
163V89.8Confident84.7Confident10 Ų1061.7 Ų61.76%0.06132%0.318CS..EExtended strand (participates in β ladder)trans-120.4140.7168.465.40000109.3F172 V177 L179 A184 Y190V163-F172 HydrophobicContact CG1-CB 4.17Å; V163-F172 PolarHBondContact N-O 3.08Å; V163-F172 PolarHBondContact O-N 2.8Å; V163-V177 HydrophobicContact CG1-CG2 3.97Å; V163-L179 HydrophobicContact CG1-CD1 4.43Å; V163-A184 HydrophobicContact CB-CB 4.4Å; V163-A184 HydrophobicContact CG2-CB 4.46Å; V163-Y190 HydrophobicContact CB-CD1 4.31Å; V163-Y190 HydrophobicContact CG1-CD1 3.82Å; V163-Y190 HydrophobicContact CG1-CD2 4.48Å; V163-Y190 HydrophobicContact CG1-CE1 3.65Å; V163-Y190 HydrophobicContact CG1-CE2 4.34Å; V163-Y190 HydrophobicContact CG1-CG 4.26Å; V163-Y190 HydrophobicContact CG2-CD1 3.57Å; V163-Y190 HydrophobicContact CG2-CD2 4.11Å; V163-Y190 HydrophobicContact CG2-CE1 4.29Å; V163-Y190 HydrophobicContact CG2-CG 3.48Å; V163-Y190 VanDerWaalsContact CG2-CG 3.48Å
164C88.6Confident85.1Confident43 Ų4353.7 Ų53.729%0.29129%0.288SS..EExtended strand (participates in β ladder)trans-98.6134.7177.7-172.90000110.1G170 W171 Y190C164-G170 WeakPolarHBondContact CA-O 3.41Å; C164-W171 HydrophobicContact CB-CD2 4.34Å; C164-W171 HydrophobicContact CB-CE3 4.12Å; C164-W171 HydrophobicContact CB-CH2 4.3Å; C164-W171 HydrophobicContact CB-CZ2 4.48Å; C164-W171 HydrophobicContact CB-CZ3 4.11Å; C164-Y190 WeakPolarHBondContact O-CD1 3.15Å
165C87.3Confident85.6Confident0 Ų057.2 Ų57.20%030%0.301CS..  trans-79123.7173.51780000110.6V167 C168 E169 G170 F172 Y190 C192C165-V167 PolarHBondContact O-N 3.09Å; C165-V167 VanDerWaalsContact O-N 3.09Å; C165-C168 VanDerWaalsContact SG-SG 3.62Å; C165-E169 WeakPolarHBondContact O-CA 3.37Å; C165-E169 PolarHBondContact O-N 2.86Å; C165-G170 PolarHBondContact N-O 3.47Å; C165-F172 HydrophobicContact CB-CD2 4.28Å; C165-F172 HydrophobicContact CB-CE2 3.7Å; C165-Y190 CarbonylContact C-O 3.32Å; C165-Y190 WeakPolarHBondContact CA-O 3.2Å; C165-Y190 HydrophobicContact CB-CD1 4.34Å; C165-Y190 HydrophobicContact CB-CE1 4.45Å; C165-C192 HydrophobicContact CB-CB 4.02Å; C165-C192 PolarHBondContact SG-N 3.29Å; C165-C192 VanDerWaalsContact SG-SG 3.69Å
166D83Confident86Confident91 Ų9156.6 Ų56.649%0.48730%0.298SS..THydrogen-bonded Turntrans-67.9-10.2-179.4-67-67.8000114.2L189 Y190D166-L189 HydrophobicContact CB-CD2 4.41Å; D166-L189 VanDerWaalsContact OD2-CA 3.22Å; D166-L189 WeakPolarHBondContact OD2-CA 3.16Å; D166-Y190 PolarHBondContact N-O 3.15Å; D166-Y190 PolarHBondContact OD2-N 2.86Å
167V75.7Confident86.5Confident71 Ų7154.4 Ų54.443%0.4329%0.291SS..THydrogen-bonded Turntrans-99.6-47.4-176.9179.20000112.3C165 V191 C195 N202C165-V167 PolarHBondContact O-N 3.09Å; C165-V167 VanDerWaalsContact O-N 3.09Å; V167-V191 HydrophobicContact CG2-CG1 3.94Å; V167-V191 HydrophobicContact CG2-CG2 4.02Å; V167-C195 HydrophobicContact CB-CB 3.91Å; V167-C195 HydrophobicContact CG1-CB 3.95Å; V167-C195 HydrophobicContact CG2-CB 4.37Å; V167-N202 VanDerWaalsContact CG1-ND2 3.29Å; V167-N202 WeakPolarHBondContact CG1-ND2 3.38Å
168C81.8Confident86.8Confident65 Ų6555.1 Ų55.144%0.43931%0.311SS..THydrogen-bonded Turntrans-106.5-0.3-178.667.40000113.8C165 G170 C195C165-C168 VanDerWaalsContact SG-SG 3.62Å; C168-G170 PolarHBondContact O-N 2.88Å; C168-C195 VanDerWaalsContact CB-SG 3.59Å; C168-C195 VanDerWaalsContact SG-SG 3.64Å
169E82.6Confident87.1Confident156 Ų15650.8 Ų50.873%0.72929%0.292SS*.  trans55.619.3-175.9-55.5-175.9161.100113.5C165C165-E169 WeakPolarHBondContact O-CA 3.37Å; C165-E169 PolarHBondContact O-N 2.86Å
170G83.5Confident87.4Confident22 Ų2250.6 Ų50.623%0.22729%0.287CS..  trans-79.8143.4178.700000111.9C164 C165 C168 F172C164-G170 WeakPolarHBondContact CA-O 3.41Å; C165-G170 PolarHBondContact N-O 3.47Å; C168-G170 PolarHBondContact O-N 2.88Å; G170-F172 WeakPolarHBondContact O-CD2 3.18Å; G170-F172 WeakPolarHBondContact O-CE2 3.22Å
171W89.8Confident87.4Confident72 Ų7247.8 Ų47.827%0.27329%0.285SS..EExtended strand (participates in β ladder)trans-93.5135.9176.2-6386.7000111.4I41 H149 C150 Y162 C164I41-W171 HydrophobicContact CD1-CH2 3.87Å; H149-W171 HydrophobicContact CB-CB 4.31Å; H149-W171 AromaticContact CD2-CD1 3.95Å; C150-W171 WeakPolarHBondContact CA-O 3.27Å; C150-W171 PolarHBondContact N-O 2.81Å; Y162-W171 HydrophobicContact CD1-CB 4.12Å; C164-W171 HydrophobicContact CB-CD2 4.34Å; C164-W171 HydrophobicContact CB-CE3 4.12Å; C164-W171 HydrophobicContact CB-CH2 4.3Å; C164-W171 HydrophobicContact CB-CZ2 4.48Å; C164-W171 HydrophobicContact CB-CZ3 4.11Å
172F91.2Very high87.3Confident13 Ų1354.5 Ų54.56%0.05731%0.314CS..EExtended strand (participates in β ladder)trans-133.4139.8-178.5-59.2-89.6000110.2I151 Y162 V163 C165 G170 C174 V177 Y190 C192I151-F172 HydrophobicContact CG2-CD1 4.02Å; I151-F172 HydrophobicContact CG2-CE1 3.82Å; Y162-F172 CarbonylContact C-O 3.59Å; Y162-F172 WeakPolarHBondContact CA-O 3.48Å; V163-F172 HydrophobicContact CG1-CB 4.17Å; V163-F172 PolarHBondContact N-O 3.08Å; V163-F172 PolarHBondContact O-N 2.8Å; C165-F172 HydrophobicContact CB-CD2 4.28Å; C165-F172 HydrophobicContact CB-CE2 3.7Å; G170-F172 WeakPolarHBondContact O-CD2 3.18Å; G170-F172 WeakPolarHBondContact O-CE2 3.22Å; F172-C174 PolarHBondContact O-N 2.76Å; F172-V177 HydrophobicContact CB-CG1 3.71Å; F172-V177 HydrophobicContact CD1-CG1 4.29Å; F172-V177 HydrophobicContact CG-CG1 4.19Å; F172-Y190 HydrophobicContact CD2-CE1 4.14Å; F172-C192 HydrophobicContact CD2-CB 4.07Å; F172-C192 HydrophobicContact CE1-CB 4.12Å; F172-C192 HydrophobicContact CE2-CB 3.53Å; F172-C192 HydrophobicContact CZ-CB 3.56Å
173H90.7Very high87.1Confident1 Ų155.4 Ų55.41%0.00533%0.325CS..EExtended strand (participates in β ladder)trans-64.6135169.9-53.7102.3000109.4C150 C152 T154 P161 Y162 E175 C176 V177C150-H173 VanDerWaalsContact CB-ND1 3.27Å; C150-H173 WeakPolarHBondContact CB-ND1 3.18Å; C150-H173 PolarHBondContact SG-N 3.45Å; C150-H173 PolarHBondContact SG-ND1 3.01Å; C152-H173 PolarHBondContact SG-CE1 3.03Å; C152-H173 PolarHBondContact SG-ND1 3.23Å; T154-H173 PolarHBondContact OG1-CE1 3.08Å; P161-H173 WeakPolarHBondContact O-CA 2.84Å; Y162-H173 AromaticContact CD1-CD2 3.93Å; Y162-H173 AromaticContact CE1-CD2 3.31Å; Y162-H173 WeakPolarHBondContact CE1-CD2 3.38Å; Y162-H173 AromaticContact CE1-CE1 3.91Å; Y162-H173 AromaticContact CE1-NE2 3.18Å; Y162-H173 WeakPolarHBondContact CE1-NE2 3.27Å; Y162-H173 AromaticContact CE2-CD2 3.87Å; Y162-H173 AromaticContact CZ-CD2 3.27Å; Y162-H173 AromaticContact CZ-NE2 3.11Å; Y162-H173 PolarHBondContact OH-CD2 3.24Å; Y162-H173 PolarHBondContact OH-NE2 3.28Å; H173-E175 PolarHBondContact O-N 2.89Å; H173-C176 HydrophobicContact CB-CB 4.06Å; H173-C176 PolarHBondContact O-N 3.44Å; H173-V177 PolarHBondContact O-N 2.99Å
174C89Confident86.9Confident1 Ų155.2 Ų55.21%0.00732%0.324CS..Hα-helixtrans-55.3-42.6176.9-59.20000110.7P161 F172 C176 V177 G178 L179P161-C174 HydrophobicContact CB-CB 4.37Å; P161-C174 HydrophobicContact CG-CB 4.08Å; P161-C174 PolarHBondContact O-N 2.96Å; F172-C174 PolarHBondContact O-N 2.76Å; C174-C176 PolarHBondContact O-N 3.31Å; C174-V177 VanDerWaalsContact O-CG2 3.3Å; C174-V177 WeakPolarHBondContact O-CG2 3.34Å; C174-V177 PolarHBondContact O-N 3.45Å; C174-G178 PolarHBondContact O-N 3.48Å; C174-L179 CarbonylContact C-O 3.58Å; C174-L179 HydrophobicContact CB-CB 4.12Å; C174-L179 WeakPolarHBondContact CB-O 3.35Å; C174-L179 PolarHBondContact O-N 3.36Å; C174-L179 VanDerWaalsContact O-O 3.04Å
175E91.1Very high86.7Confident126 Ų12659.1 Ų59.159%0.58934%0.338SS*.Hα-helixtrans-56.7-45.1175.5-63.5175.7175.900113.3R160 H173 V177 G178R160-E175 IonicContact NH1-OE2 2.69Å; R160-E175 PolarHBondContact NH1-OE2 3.41Å; R160-E175 VanDerWaalsContact NH1-OE2 3.08Å; H173-E175 PolarHBondContact O-N 2.89Å; E175-V177 PolarHBondContact O-N 3.37Å; E175-G178 PolarHBondContact O-N 3.06Å
176C89.5Confident86.5Confident45 Ų4562.9 Ų62.930%0.30437%0.369SS..Hα-helixtrans-66.9-25.5-177.6-70.20000112.8C150 I151 H173 C174C150-C176 WeakPolarHBondContact SG-CB 3.31Å; C150-C176 VanDerWaalsContact SG-SG 3.67Å; I151-C176 HydrophobicContact CD1-CB 4.19Å; I151-C176 HydrophobicContact CG1-CB 4.01Å; H173-C176 HydrophobicContact CB-CB 4.06Å; H173-C176 PolarHBondContact O-N 3.44Å; C174-C176 PolarHBondContact O-N 3.31Å
177V89.4Confident86.4Confident22 Ų2260.8 Ų60.813%0.13336%0.357CS..Hα-helixtrans-101.30.3-179.8-580000112.9V163 F172 H173 C174 E175 L179 Y190V163-V177 HydrophobicContact CG1-CG2 3.97Å; F172-V177 HydrophobicContact CB-CG1 3.71Å; F172-V177 HydrophobicContact CD1-CG1 4.29Å; F172-V177 HydrophobicContact CG-CG1 4.19Å; H173-V177 PolarHBondContact O-N 2.99Å; C174-V177 VanDerWaalsContact O-CG2 3.3Å; C174-V177 WeakPolarHBondContact O-CG2 3.34Å; C174-V177 PolarHBondContact O-N 3.45Å; E175-V177 PolarHBondContact O-N 3.37Å; V177-L179 HydrophobicContact CG2-CB 4.19Å; V177-L179 HydrophobicContact CG2-CD1 3.93Å; V177-L179 HydrophobicContact CG2-CG 3.98Å; V177-Y190 VanDerWaalsContact CB-OH 3.24Å; V177-Y190 WeakPolarHBondContact CB-OH 3.39Å; V177-Y190 WeakPolarHBondContact CG1-OH 3.47Å; V177-Y190 HydrophobicContact CG2-CE2 4.33Å
178G88.5Confident86.4Confident70 Ų7061.8 Ų61.872%0.72237%0.365SS*.THydrogen-bonded Turntrans80.224.9178.600000114.3C174 E175C174-G178 PolarHBondContact O-N 3.48Å; E175-G178 PolarHBondContact O-N 3.06Å
179L88.6Confident86.4Confident35 Ų3564.6 Ų64.618%0.18338%0.375CS..  trans-107.1145.5176-65.8176.6000110.9V163 C174 V177 A183 A184 I187 Y190V163-L179 HydrophobicContact CG1-CD1 4.43Å; C174-L179 CarbonylContact C-O 3.58Å; C174-L179 HydrophobicContact CB-CB 4.12Å; C174-L179 WeakPolarHBondContact CB-O 3.35Å; C174-L179 PolarHBondContact O-N 3.36Å; C174-L179 VanDerWaalsContact O-O 3.04Å; V177-L179 HydrophobicContact CG2-CB 4.19Å; V177-L179 HydrophobicContact CG2-CD1 3.93Å; V177-L179 HydrophobicContact CG2-CG 3.98Å; L179-A183 HydrophobicContact CD2-CB 4.28Å; L179-A184 HydrophobicContact CD1-CB 4.45Å; L179-I187 HydrophobicContact CD1-CD1 3.71Å; L179-I187 HydrophobicContact CD2-CD1 3.56Å; L179-I187 HydrophobicContact CG-CD1 4.3Å; L179-Y190 HydrophobicContact CD1-CD2 3.81Å; L179-Y190 HydrophobicContact CD1-CE2 3.68Å
180T89.7Confident86.5Confident87 Ų8758.3 Ų58.353%0.53435%0.345SS..  trans-84.9162162.362.40000109.4E182 A183 A184T180-E182 VanDerWaalsContact C-N 3.28Å; T180-E182 PolarHBondContact O-N 2.93Å; T180-A183 PolarHBondContact O-N 3.39Å; T180-A183 VanDerWaalsContact OG1-CB 3.27Å; T180-A183 WeakPolarHBondContact OG1-CB 3.38Å; T180-A183 PolarHBondContact OG1-N 2.8Å; T180-A183 VanDerWaalsContact OG1-N 3.16Å; T180-A184 WeakPolarHBondContact O-CB 3.47Å; T180-A184 PolarHBondContact O-N 3.31Å
181A86.1Confident86.5Confident37 Ų3760 Ų6031%0.30635%0.351SS..Hα-helixtrans-57.7-42.6176.400000111.8P161 A184 E185P161-A181 HydrophobicContact CB-CB 4.07Å; P161-A181 HydrophobicContact CG-CB 4.39Å; A181-A184 PolarHBondContact O-N 3.44Å; A181-E185 PolarHBondContact O-N 3.42Å
182E87.5Confident86.4Confident163 Ų16356.6 Ų56.676%0.76234%0.338SS*.Hα-helixtrans-62.5-43176-62.4175.5177.900112.3T180 E185 A186T180-E182 VanDerWaalsContact C-N 3.28Å; T180-E182 PolarHBondContact O-N 2.93Å; E182-E185 PolarHBondContact O-N 3.5Å; E182-A186 PolarHBondContact O-N 3.25Å; E182-A186 VanDerWaalsContact O-N 3.1Å
183A85.4Confident86.1Confident34 Ų3462.7 Ų62.728%0.28137%0.365SS..Hα-helixtrans-65.7-39.7177.100000111.6L179 T180 E185 A186 I187L179-A183 HydrophobicContact CD2-CB 4.28Å; T180-A183 PolarHBondContact O-N 3.39Å; T180-A183 VanDerWaalsContact OG1-CB 3.27Å; T180-A183 WeakPolarHBondContact OG1-CB 3.38Å; T180-A183 PolarHBondContact OG1-N 2.8Å; T180-A183 VanDerWaalsContact OG1-N 3.16Å; A183-E185 VanDerWaalsContact C-N 3.33Å; A183-E185 PolarHBondContact O-N 2.88Å; A183-A186 PolarHBondContact O-N 3.28Å; A183-I187 VanDerWaalsContact O-CD1 3.31Å; A183-I187 WeakPolarHBondContact O-CD1 3.29Å; A183-I187 WeakPolarHBondContact O-CG1 3.38Å; A183-I187 PolarHBondContact O-N 3.42Å
184A86.4Confident85.8Confident5 Ų566.4 Ų66.44%0.04138%0.384CS..Hα-helixtrans-64-37.1176.900000112.2V163 L179 T180 A181 I187V163-A184 HydrophobicContact CB-CB 4.4Å; V163-A184 HydrophobicContact CG2-CB 4.46Å; L179-A184 HydrophobicContact CD1-CB 4.45Å; T180-A184 WeakPolarHBondContact O-CB 3.47Å; T180-A184 PolarHBondContact O-N 3.31Å; A181-A184 PolarHBondContact O-N 3.44Å; A184-I187 PolarHBondContact O-N 2.9Å
185E84.1Confident85.3Confident126 Ų12666.9 Ų66.959%0.58939%0.387SS*.Hα-helixtrans-69.6-32175.8-170.7169.6-167.100112.6V40 A181 E182 A183 I187V40-E185 HydrophobicContact CG2-CB 4.47Å; A181-E185 PolarHBondContact O-N 3.42Å; E182-E185 PolarHBondContact O-N 3.5Å; A183-E185 VanDerWaalsContact C-N 3.33Å; A183-E185 PolarHBondContact O-N 2.88Å; E185-I187 VanDerWaalsContact C-N 3.35Å
186A83.2Confident84.9Confident79 Ų7964.9 Ų64.965%0.65338%0.38SS*.Hα-helixtrans-77.3-15.817700000114.3E182 A183 P188E182-A186 PolarHBondContact O-N 3.25Å; E182-A186 VanDerWaalsContact O-N 3.1Å; A183-A186 PolarHBondContact O-N 3.28Å; A186-P188 WeakPolarHBondContact O-CD 3.46Å
187I80.8Confident84.2Confident46 Ų4670.3 Ų70.324%0.23640%0.401CS..  trans-86.1113.4-177.9-71160.6000109.3I38 L179 A183 A184 E185 L189I38-I187 WeakPolarHBondContact CD1-O 3.24Å; L179-I187 HydrophobicContact CD1-CD1 3.71Å; L179-I187 HydrophobicContact CD2-CD1 3.56Å; L179-I187 HydrophobicContact CG-CD1 4.3Å; A183-I187 VanDerWaalsContact O-CD1 3.31Å; A183-I187 WeakPolarHBondContact O-CD1 3.29Å; A183-I187 WeakPolarHBondContact O-CG1 3.38Å; A183-I187 PolarHBondContact O-N 3.42Å; A184-I187 PolarHBondContact O-N 2.9Å; E185-I187 VanDerWaalsContact C-N 3.35Å; I187-L189 VanDerWaalsContact C-N 3.31Å; I187-L189 VanDerWaalsContact CG2-C 3.49Å; I187-L189 WeakPolarHBondContact CG2-O 3.25Å; I187-L189 PolarHBondContact O-N 3.13Å
188P75.9Confident83.2Confident93 Ų9374.5 Ų74.560%0.60442%0.417SS*.SBendtrans-71.5-24.8-177.328.3-35.5000113.9A186A186-P188 WeakPolarHBondContact O-CD 3.46Å
189L81.3Confident82.2Confident123 Ų12377 Ų7764%0.64441%0.405SS*.SBendtrans-144.2122.1177.8-69.9173.4000109.4D166 I187D166-L189 HydrophobicContact CB-CD2 4.41Å; D166-L189 VanDerWaalsContact OD2-CA 3.22Å; D166-L189 WeakPolarHBondContact OD2-CA 3.16Å; I187-L189 VanDerWaalsContact C-N 3.31Å; I187-L189 VanDerWaalsContact CG2-C 3.49Å; I187-L189 WeakPolarHBondContact CG2-O 3.25Å; I187-L189 PolarHBondContact O-N 3.13Å
190Y85Confident80.7Confident24 Ų2480.8 Ų80.89%0.09443%0.426CS..  trans-109.2126.5178.6177.6-102.3000111V163 C164 C165 D166 F172 V177 L179 C192V163-Y190 HydrophobicContact CB-CD1 4.31Å; V163-Y190 HydrophobicContact CG1-CD1 3.82Å; V163-Y190 HydrophobicContact CG1-CD2 4.48Å; V163-Y190 HydrophobicContact CG1-CE1 3.65Å; V163-Y190 HydrophobicContact CG1-CE2 4.34Å; V163-Y190 HydrophobicContact CG1-CG 4.26Å; V163-Y190 HydrophobicContact CG2-CD1 3.57Å; V163-Y190 HydrophobicContact CG2-CD2 4.11Å; V163-Y190 HydrophobicContact CG2-CE1 4.29Å; V163-Y190 HydrophobicContact CG2-CG 3.48Å; V163-Y190 VanDerWaalsContact CG2-CG 3.48Å; C164-Y190 WeakPolarHBondContact O-CD1 3.15Å; C165-Y190 CarbonylContact C-O 3.32Å; C165-Y190 WeakPolarHBondContact CA-O 3.2Å; C165-Y190 HydrophobicContact CB-CD1 4.34Å; C165-Y190 HydrophobicContact CB-CE1 4.45Å; D166-Y190 PolarHBondContact N-O 3.15Å; D166-Y190 PolarHBondContact OD2-N 2.86Å; F172-Y190 HydrophobicContact CD2-CE1 4.14Å; V177-Y190 VanDerWaalsContact CB-OH 3.24Å; V177-Y190 WeakPolarHBondContact CB-OH 3.39Å; V177-Y190 WeakPolarHBondContact CG1-OH 3.47Å; V177-Y190 HydrophobicContact CG2-CE2 4.33Å; L179-Y190 HydrophobicContact CD1-CD2 3.81Å; L179-Y190 HydrophobicContact CD1-CE2 3.68Å; Y190-C192 HydrophobicContact CE1-CB 4.03Å
191V83.6Confident79.2Confident57 Ų5781 Ų8135%0.34543%0.426SS..  trans-117.8121.9173.6-175.50000108.2V167 C195 D196V167-V191 HydrophobicContact CG2-CG1 3.94Å; V167-V191 HydrophobicContact CG2-CG2 4.02Å; V191-C195 HydrophobicContact CG1-CB 3.54Å; V191-D196 HydrophobicContact CG1-CB 4.19Å
192C86.6Confident77.9Confident2 Ų282.2 Ų82.21%0.01443%0.428CS..  trans-68.4154.817975.70000111C165 F172 Y190 I194 C195 D196C165-C192 HydrophobicContact CB-CB 4.02Å; C165-C192 PolarHBondContact SG-N 3.29Å; C165-C192 VanDerWaalsContact SG-SG 3.69Å; F172-C192 HydrophobicContact CD2-CB 4.07Å; F172-C192 HydrophobicContact CE1-CB 4.12Å; F172-C192 HydrophobicContact CE2-CB 3.53Å; F172-C192 HydrophobicContact CZ-CB 3.56Å; Y190-C192 HydrophobicContact CE1-CB 4.03Å; C192-I194 PolarHBondContact O-N 2.67Å; C192-I194 VanDerWaalsContact O-N 3.09Å; C192-C195 CarbonylContact O-C 3.59Å; C192-C195 WeakPolarHBondContact O-CA 3.16Å; C192-C195 PolarHBondContact O-N 3.01Å; C192-D196 PolarHBondContact O-N 3.48Å
193K86Confident76.6Confident141 Ų14175.4 Ų75.461%0.61340%0.4SS*.Hα-helixtrans-52.2-38-178.3-64.8-175.1178.7179.90113.4C195 D196 E197K193-C195 VanDerWaalsContact C-N 3.33Å; K193-C195 PolarHBondContact O-N 3.43Å; K193-D196 PolarHBondContact O-N 3.45Å; K193-E197 WeakPolarHBondContact O-CB 3.38Å; K193-E197 VanDerWaalsContact O-CG 3.24Å; K193-E197 WeakPolarHBondContact O-CG 3.39Å; K193-E197 PolarHBondContact O-N 2.99Å
194I83.6Confident75.3Confident79 Ų7975.7 Ų75.741%0.40540%0.395SS..Hα-helixtrans-64.7-38.8177.9-57170.8000111.3I151 C192 K198I151-I194 HydrophobicContact CG2-CD1 4.36Å; C192-I194 PolarHBondContact O-N 2.67Å; C192-I194 VanDerWaalsContact O-N 3.09Å; I194-K198 HydrophobicContact CG2-CD 4.47Å; I194-K198 WeakPolarHBondContact O-CB 3.24Å; I194-K198 VanDerWaalsContact O-CG 3.24Å; I194-K198 WeakPolarHBondContact O-CG 3.21Å; I194-K198 PolarHBondContact O-N 3.29Å
195C79.3Confident74.2Confident11 Ų1179.7 Ų79.77%0.07442%0.419CS..Hα-helixtrans-78.5-31.4177.3-710000112V167 C168 V191 C192 K193 K198 R199V167-C195 HydrophobicContact CB-CB 3.91Å; V167-C195 HydrophobicContact CG1-CB 3.95Å; V167-C195 HydrophobicContact CG2-CB 4.37Å; C168-C195 VanDerWaalsContact CB-SG 3.59Å; C168-C195 VanDerWaalsContact SG-SG 3.64Å; V191-C195 HydrophobicContact CG1-CB 3.54Å; C192-C195 CarbonylContact O-C 3.59Å; C192-C195 WeakPolarHBondContact O-CA 3.16Å; C192-C195 PolarHBondContact O-N 3.01Å; K193-C195 VanDerWaalsContact C-N 3.33Å; K193-C195 PolarHBondContact O-N 3.43Å; C195-K198 CarbonylContact O-C 3.58Å; C195-K198 VanDerWaalsContact O-C 3.32Å; C195-K198 PolarHBondContact O-N 3.3Å; C195-R199 PolarHBondContact O-N 3.06Å
196D82.3Confident73.5Confident84 Ų8478.4 Ų78.445%0.44941%0.412SS..Hα-helixtrans-69.4-42.1176-164.142.1000111.2V191 C192 K193 K198 R199V191-D196 HydrophobicContact CG1-CB 4.19Å; C192-D196 PolarHBondContact O-N 3.48Å; K193-D196 PolarHBondContact O-N 3.45Å; D196-K198 PolarHBondContact O-N 3.19Å; D196-R199 WeakPolarHBondContact O-CB 3.46Å; D196-R199 PolarHBondContact O-N 3.38Å
197E75.6Confident73.2Confident158 Ų15882.1 Ų82.174%0.73842%0.416SS*.Hα-helixtrans-60.8-30.5170.3-74.2168.5-168.600112.2K193K193-E197 WeakPolarHBondContact O-CB 3.38Å; K193-E197 VanDerWaalsContact O-CG 3.24Å; K193-E197 WeakPolarHBondContact O-CG 3.39Å; K193-E197 PolarHBondContact O-N 2.99Å
198K68.5Low73.2Confident110 Ų11080.9 Ų80.948%0.47841%0.41SS..THydrogen-bonded Turntrans-92.45.8176.1-67.5177.3-176.7-175.10113.1I194 C195 D196 D200 V201 N202I194-K198 HydrophobicContact CG2-CD 4.47Å; I194-K198 WeakPolarHBondContact O-CB 3.24Å; I194-K198 VanDerWaalsContact O-CG 3.24Å; I194-K198 WeakPolarHBondContact O-CG 3.21Å; I194-K198 PolarHBondContact O-N 3.29Å; C195-K198 CarbonylContact O-C 3.58Å; C195-K198 VanDerWaalsContact O-C 3.32Å; C195-K198 PolarHBondContact O-N 3.3Å; D196-K198 PolarHBondContact O-N 3.19Å; K198-D200 VanDerWaalsContact C-N 3.26Å; K198-D200 PolarHBondContact O-N 3.28Å; K198-V201 WeakPolarHBondContact O-CB 3.38Å; K198-V201 PolarHBondContact O-N 3.26Å; K198-N202 PolarHBondContact O-N 2.9Å
199R65.8Low73.6Confident124 Ų12479.4 Ų79.447%0.46840%0.399SS..Hα-helixtrans-59.5-38.1-171.5-174.6175.3-179.4-178.7-0.4112.3C195 D196 V201 N202 A203C195-R199 PolarHBondContact O-N 3.06Å; D196-R199 WeakPolarHBondContact O-CB 3.46Å; D196-R199 PolarHBondContact O-N 3.38Å; R199-V201 VanDerWaalsContact C-N 3.3Å; R199-V201 PolarHBondContact O-N 3.24Å; R199-N202 PolarHBondContact O-N 3.18Å; R199-A203 WeakPolarHBondContact O-CB 3.3Å; R199-A203 PolarHBondContact O-N 2.65Å
200D58.5Low73.8Confident114 Ų11478.3 Ų78.361%0.6140%0.402SS*.Hα-helixtrans-64.4-36.1177.5-72-30.5000112.4K198 M204K198-D200 VanDerWaalsContact C-N 3.26Å; K198-D200 PolarHBondContact O-N 3.28Å; D200-M204 WeakPolarHBondContact O-CB 3.19Å; D200-M204 VanDerWaalsContact O-CG 3.31Å; D200-M204 WeakPolarHBondContact O-CG 3.07Å; D200-M204 PolarHBondContact O-N 2.84Å
201V57.9Low73.8Confident90 Ų9080.1 Ų80.155%0.54542%0.421SS..Hα-helixtrans-73.2-46.6176.3-176.30000110K198 R199 A203 M204 V205K198-V201 WeakPolarHBondContact O-CB 3.38Å; K198-V201 PolarHBondContact O-N 3.26Å; R199-V201 VanDerWaalsContact C-N 3.3Å; R199-V201 PolarHBondContact O-N 3.24Å; V201-A203 PolarHBondContact O-N 3.14Å; V201-M204 PolarHBondContact O-N 3.4Å; V201-M204 VanDerWaalsContact O-N 3.11Å; V201-V205 WeakPolarHBondContact O-CG2 3.31Å; V201-V205 PolarHBondContact O-N 3.06Å
202N57.8Low73.9Confident63 Ų6378.5 Ų78.534%0.33741%0.411SS..Hα-helixtrans-65.8-37.5-179.8-72.8-11.1000112.3V167 K198 R199 M204 V205 K206V167-N202 VanDerWaalsContact CG1-ND2 3.29Å; V167-N202 WeakPolarHBondContact CG1-ND2 3.38Å; K198-N202 PolarHBondContact O-N 2.9Å; R199-N202 PolarHBondContact O-N 3.18Å; N202-M204 VanDerWaalsContact C-N 3.27Å; N202-M204 PolarHBondContact O-N 2.83Å; N202-V205 PolarHBondContact O-N 3.38Å; N202-K206 PolarHBondContact O-N 3.22Å
203A60.4Low74.1Confident21 Ų2179.4 Ų79.417%0.17441%0.414CS..Hα-helixtrans-63.8-34.3173.700000111.6R199 V201R199-A203 WeakPolarHBondContact O-CB 3.3Å; R199-A203 PolarHBondContact O-N 2.65Å; V201-A203 PolarHBondContact O-N 3.14Å
204M58.9Low74.4Confident39 Ų3974 Ų7419%0.19240%0.398CS..Hα-helixtrans-75.6-25.9177.2-77.3-161.7-11400113.9D200 V201 N202 T268 L269 S270 K312D200-M204 WeakPolarHBondContact O-CB 3.19Å; D200-M204 VanDerWaalsContact O-CG 3.31Å; D200-M204 WeakPolarHBondContact O-CG 3.07Å; D200-M204 PolarHBondContact O-N 2.84Å; V201-M204 PolarHBondContact O-N 3.4Å; V201-M204 VanDerWaalsContact O-N 3.11Å; N202-M204 VanDerWaalsContact C-N 3.27Å; N202-M204 PolarHBondContact O-N 2.83Å; M204-T268 WeakPolarHBondContact O-CB 3.33Å; M204-L269 PolarHBondContact O-N 3.43Å; M204-S270 VanDerWaalsContact C-OG 3.25Å; M204-S270 WeakPolarHBondContact CB-OG 3.39Å; M204-S270 PolarHBondContact O-N 2.84Å; M204-S270 PolarHBondContact O-OG 3.44Å; M204-K312 VanDerWaalsContact CE-NZ 3.27Å; M204-K312 HydrophobicContact CG-CD 4.48Å; M204-K312 PolarHBondContact SD-NZ 3.07Å
205V62.8Low74.7Confident90 Ų9074.1 Ų74.155%0.54540%0.396SS..Hα-helixtrans-94.1-11.8178.8-178.60000112.4V201 N202 Q207 T268V201-V205 WeakPolarHBondContact O-CG2 3.31Å; V201-V205 PolarHBondContact O-N 3.06Å; N202-V205 PolarHBondContact O-N 3.38Å; V205-Q207 PolarHBondContact O-N 2.93Å; V205-T268 WeakPolarHBondContact O-CG2 3.34Å
206K70.4Confident75.4Confident98 Ų9873.6 Ų73.643%0.42639%0.392SS..SBendtrans-58.6135175.2-171-174.9174.8-168.70110.6N202 L208N202-K206 PolarHBondContact O-N 3.22Å; K206-L208 PolarHBondContact O-N 3.16Å
207Q76.4Confident75.9Confident157 Ų15773.1 Ų73.173%0.73439%0.388SS*.BIsolated β-bridgetrans-60.3131.7172.8-72.8-171.7-22.400110.9V205 T209 C267V205-Q207 PolarHBondContact O-N 2.93Å; Q207-T209 PolarHBondContact O-N 3.28Å; Q207-C267 WeakPolarHBondContact CA-O 3.27Å
208L81.5Confident76.7Confident21 Ų2170.3 Ų70.311%0.1138%0.377CS..PPolyproline II helixtrans-68.2126.9177.8-76168.3000110.6K206 D212 Y213 L216 Y266 C267 L269K206-L208 PolarHBondContact O-N 3.16Å; L208-D212 HydrophobicContact CD2-CB 3.53Å; L208-Y213 HydrophobicContact CB-CD2 4.44Å; L208-Y213 HydrophobicContact CB-CE2 3.89Å; L208-L216 HydrophobicContact CD1-CD1 3.72Å; L208-L216 HydrophobicContact CD2-CD1 3.86Å; L208-L216 HydrophobicContact CG-CD1 4.45Å; L208-Y266 WeakPolarHBondContact CD1-O 3.34Å; L208-C267 PolarHBondContact N-O 3.29Å; L208-L269 HydrophobicContact CD2-CD2 3.68Å; L208-L269 HydrophobicContact CD2-CG 3.7Å
209T84.1Confident77.9Confident61 Ų6165.3 Ų65.337%0.37436%0.356SS..PPolyproline II helixtrans-87.8164172.668.40000110.7Q207 A211 D212 Y213Q207-T209 PolarHBondContact O-N 3.28Å; T209-A211 PolarHBondContact O-N 3.23Å; T209-D212 WeakPolarHBondContact CB-OD2 3.46Å; T209-D212 PolarHBondContact N-OD2 2.91Å; T209-D212 WeakPolarHBondContact O-CA 3.19Å; T209-D212 WeakPolarHBondContact O-CB 3.5Å; T209-D212 PolarHBondContact O-N 3.39Å; T209-D212 PolarHBondContact OG1-N 3.21Å; T209-D212 PolarHBondContact OG1-OD2 3.17Å; T209-Y213 WeakPolarHBondContact O-CD2 3.43Å; T209-Y213 PolarHBondContact O-N 3.1Å; T209-Y213 VanDerWaalsContact O-N 3.14Å
210S84Confident79.2Confident101 Ų10159.4 Ų59.471%0.70633%0.334SS*.Hα-helixtrans-55-33.9173.953.90000113.2D212 Y213 G214S210-D212 VanDerWaalsContact C-N 3.32Å; S210-Y213 PolarHBondContact O-N 3.4Å; S210-G214 PolarHBondContact O-N 3.2Å
211A85Confident80.9Confident62 Ų6256.9 Ų56.951%0.51232%0.322SS..Hα-helixtrans-68.7-31.517500000112.6T209 K215T209-A211 PolarHBondContact O-N 3.23Å; A211-K215 PolarHBondContact O-N 2.74Å
212D87Confident82.6Confident22 Ų2256.1 Ų56.112%0.11832%0.315CS..Hα-helixtrans-70.9-38.6176.2-57.7-48.4000110.6L208 T209 S210 G214 K215 L216L208-D212 HydrophobicContact CD2-CB 3.53Å; T209-D212 WeakPolarHBondContact CB-OD2 3.46Å; T209-D212 PolarHBondContact N-OD2 2.91Å; T209-D212 WeakPolarHBondContact O-CA 3.19Å; T209-D212 WeakPolarHBondContact O-CB 3.5Å; T209-D212 PolarHBondContact O-N 3.39Å; T209-D212 PolarHBondContact OG1-N 3.21Å; T209-D212 PolarHBondContact OG1-OD2 3.17Å; S210-D212 VanDerWaalsContact C-N 3.32Å; D212-G214 VanDerWaalsContact C-N 3.34Å; D212-G214 PolarHBondContact O-N 3.24Å; D212-K215 WeakPolarHBondContact O-CA 3.27Å; D212-K215 WeakPolarHBondContact O-CB 3.33Å; D212-K215 PolarHBondContact O-N 3.36Å; D212-L216 WeakPolarHBondContact O-CG 3.31Å; D212-L216 PolarHBondContact O-N 2.7Å
213Y90.7Very high84.2Confident21 Ų2153.1 Ų53.18%0.08230%0.299CS..Hα-helixtrans-58.2-41.8174.8-76.8-76000113.1L208 T209 S210 K215 L216 E217 V261 H264 Y266L208-Y213 HydrophobicContact CB-CD2 4.44Å; L208-Y213 HydrophobicContact CB-CE2 3.89Å; T209-Y213 WeakPolarHBondContact O-CD2 3.43Å; T209-Y213 PolarHBondContact O-N 3.1Å; T209-Y213 VanDerWaalsContact O-N 3.14Å; S210-Y213 PolarHBondContact O-N 3.4Å; Y213-K215 VanDerWaalsContact C-N 3.26Å; Y213-K215 PolarHBondContact O-N 3.01Å; Y213-L216 PolarHBondContact O-N 3.48Å; Y213-L216 VanDerWaalsContact O-N 3.17Å; Y213-E217 WeakPolarHBondContact O-CB 3.3Å; Y213-E217 PolarHBondContact O-N 3.4Å; Y213-V261 HydrophobicContact CD1-CG1 4.12Å; Y213-V261 WeakPolarHBondContact CD1-O 3.5Å; Y213-H264 AromaticContact CD1-CD2 3.63Å; Y213-H264 AromaticContact CD2-CD2 3.9Å; Y213-H264 AromaticContact CD2-NE2 3.97Å; Y213-H264 HydrophobicContact CE1-CB 4.01Å; Y213-H264 AromaticContact CE1-CD2 3.84Å; Y213-H264 HydrophobicContact CE2-CB 4.23Å; Y213-H264 AromaticContact CE2-CG 3.97Å; Y213-H264 AromaticContact CG-CD2 3.64Å; Y213-H264 AromaticContact CG-NE2 3.82Å; Y213-H264 AromaticContact CZ-CG 3.86Å; Y213-H264 WeakPolarHBondContact OH-CA 3.39Å; Y213-H264 PolarHBondContact OH-O 2.97Å; Y213-Y266 PolarHBondContact OH-O 3.4Å
214G91.2Very high85.7Confident28 Ų2853.2 Ų53.229%0.28930%0.297SS..Hα-helixtrans-62.5-32.2174.400000113.1S210 D212 N218S210-G214 PolarHBondContact O-N 3.2Å; D212-G214 VanDerWaalsContact C-N 3.34Å; D212-G214 PolarHBondContact O-N 3.24Å; G214-N218 PolarHBondContact O-N 3.11Å; G214-N218 PolarHBondContact O-ND2 3.28Å
215K91.7Very high87.3Confident81 Ų8157.5 Ų57.535%0.35232%0.321SS..Hα-helixtrans-74-39.1173.5-63.6175.1-176.9173.20112A211 D212 Y213 L219 I311A211-K215 PolarHBondContact O-N 2.74Å; D212-K215 WeakPolarHBondContact O-CA 3.27Å; D212-K215 WeakPolarHBondContact O-CB 3.33Å; D212-K215 PolarHBondContact O-N 3.36Å; Y213-K215 VanDerWaalsContact C-N 3.26Å; Y213-K215 PolarHBondContact O-N 3.01Å; K215-L219 WeakPolarHBondContact O-CB 3.4Å; K215-L219 PolarHBondContact O-N 3.43Å; K215-I311 HydrophobicContact CB-CD1 3.81Å; K215-I311 HydrophobicContact CB-CG1 3.96Å; K215-I311 HydrophobicContact CB-CG2 4.25Å; K215-I311 HydrophobicContact CD-CG1 4.35Å; K215-I311 HydrophobicContact CD-CG2 4.04Å
216L92.3Very high88.7Confident0 Ų055.6 Ų55.60%031%0.305CS..Hα-helixtrans-64.4-41.4176.8-67.6-178000111.6L208 D212 Y213 L219 V220 V261 L269 F272 I311L208-L216 HydrophobicContact CD1-CD1 3.72Å; L208-L216 HydrophobicContact CD2-CD1 3.86Å; L208-L216 HydrophobicContact CG-CD1 4.45Å; D212-L216 WeakPolarHBondContact O-CG 3.31Å; D212-L216 PolarHBondContact O-N 2.7Å; Y213-L216 PolarHBondContact O-N 3.48Å; Y213-L216 VanDerWaalsContact O-N 3.17Å; L216-L219 PolarHBondContact O-N 3.01Å; L216-V220 WeakPolarHBondContact O-CG2 3.31Å; L216-V220 PolarHBondContact O-N 3Å; L216-V261 HydrophobicContact CB-CG1 3.8Å; L216-V261 HydrophobicContact CB-CG2 4.36Å; L216-L269 HydrophobicContact CD1-CD2 4.45Å; L216-L269 HydrophobicContact CD2-CD2 3.83Å; L216-F272 HydrophobicContact CD1-CG 4.34Å; L216-F272 HydrophobicContact CD2-CD1 3.69Å; L216-F272 HydrophobicContact CD2-CE1 3.54Å; L216-F272 HydrophobicContact CD2-CG 4.3Å; L216-F272 HydrophobicContact CD2-CZ 4.07Å; L216-I311 HydrophobicContact CD2-CD1 4.05Å
217E93.1Very high89.7Confident75 Ų7558.4 Ų58.435%0.3532%0.318SS..Hα-helixtrans-56.9-56.5174.1179.3-179.4-172.200110.9Y213 L219 V220 V221 L258 V261 M262Y213-E217 WeakPolarHBondContact O-CB 3.3Å; Y213-E217 PolarHBondContact O-N 3.4Å; E217-L219 PolarHBondContact O-N 3.43Å; E217-V220 PolarHBondContact O-N 3.06Å; E217-V220 VanDerWaalsContact O-N 3.07Å; E217-V221 HydrophobicContact CG-CG2 4.38Å; E217-V221 WeakPolarHBondContact O-CG2 3.48Å; E217-V221 PolarHBondContact O-N 3.31Å; E217-L258 HydrophobicContact CG-CD1 4.21Å; E217-V261 HydrophobicContact CB-CG1 4.38Å; E217-M262 HydrophobicContact CB-CE 3.48Å; E217-M262 VanDerWaalsContact CB-CE 3.48Å; E217-M262 HydrophobicContact CG-CE 3.36Å; E217-M262 HydrophobicContact CG-SD 4.27Å; E217-M262 WeakPolarHBondContact OE2-CE 3.43Å
218N93.4Very high90.3Very high98 Ų9853.9 Ų53.952%0.52430%0.297SS..Hα-helixtrans-56.4-41.5178.5-75.1-50.2000111.6G214 V221 D222G214-N218 PolarHBondContact O-N 3.11Å; G214-N218 PolarHBondContact O-ND2 3.28Å; N218-V221 PolarHBondContact O-N 3Å; N218-D222 WeakPolarHBondContact O-CB 3.47Å; N218-D222 PolarHBondContact O-N 2.99Å
219L93.9Very high90.8Very high5 Ų552.9 Ų52.93%0.02629%0.292CS..Hα-helixtrans-60.4-47176174.8163000111.7K215 L216 E217 D222 L223 F272 F304 K307 L308 I311K215-L219 WeakPolarHBondContact O-CB 3.4Å; K215-L219 PolarHBondContact O-N 3.43Å; L216-L219 PolarHBondContact O-N 3.01Å; E217-L219 PolarHBondContact O-N 3.43Å; L219-D222 PolarHBondContact O-N 2.96Å; L219-L223 HydrophobicContact CD2-CD1 3.79Å; L219-L223 HydrophobicContact CD2-CG 4.44Å; L219-L223 VanDerWaalsContact O-CG 3.3Å; L219-L223 WeakPolarHBondContact O-CG 3.24Å; L219-L223 PolarHBondContact O-N 3.44Å; L219-L223 VanDerWaalsContact O-N 3.1Å; L219-F272 HydrophobicContact CD2-CE1 4.33Å; L219-F272 HydrophobicContact CD2-CZ 3.95Å; L219-F304 HydrophobicContact CD1-CD2 4.46Å; L219-F304 HydrophobicContact CD2-CD2 3.8Å; L219-F304 HydrophobicContact CD2-CE2 4.05Å; L219-K307 HydrophobicContact CD1-CB 3.73Å; L219-K307 HydrophobicContact CG-CB 3.92Å; L219-K307 HydrophobicContact CG-CD 4.42Å; L219-L308 HydrophobicContact CD1-CB 4.33Å; L219-L308 HydrophobicContact CD1-CD1 4.34Å; L219-I311 HydrophobicContact CB-CD1 4.1Å; L219-I311 HydrophobicContact CD1-CD1 3.53Å; L219-I311 HydrophobicContact CG-CD1 4.47Å
220V93.3Very high90.9Very high0 Ų055.5 Ų55.50%030%0.295CS..Hα-helixtrans-68.9-38.6-179.7178.20000111.2L216 E217 L223 L224 I257 L258 V261 F272L216-V220 WeakPolarHBondContact O-CG2 3.31Å; L216-V220 PolarHBondContact O-N 3Å; E217-V220 PolarHBondContact O-N 3.06Å; E217-V220 VanDerWaalsContact O-N 3.07Å; V220-L223 PolarHBondContact O-N 2.89Å; V220-L224 HydrophobicContact CG1-CD1 4.22Å; V220-L224 WeakPolarHBondContact O-CB 3.48Å; V220-L224 WeakPolarHBondContact O-CG 3.37Å; V220-L224 PolarHBondContact O-N 3.37Å; V220-I257 HydrophobicContact CG2-CG2 4.15Å; V220-L258 HydrophobicContact CB-CD1 4.16Å; V220-L258 HydrophobicContact CG1-CB 3.79Å; V220-L258 HydrophobicContact CG1-CD1 4.11Å; V220-L258 HydrophobicContact CG1-CG 4.47Å; V220-V261 HydrophobicContact CG2-CG2 4.44Å; V220-F272 HydrophobicContact CG2-CE2 3.81Å; V220-F272 HydrophobicContact CG2-CZ 3.8Å
221V93.2Very high91.1Very high61 Ų6151.6 Ų51.637%0.3727%0.267SS..Hα-helixtrans-62.3-45.1175.1172.20000111E217 N218 L223 L224 D225 L258E217-V221 HydrophobicContact CG-CG2 4.38Å; E217-V221 WeakPolarHBondContact O-CG2 3.48Å; E217-V221 PolarHBondContact O-N 3.31Å; N218-V221 PolarHBondContact O-N 3Å; V221-L223 VanDerWaalsContact C-N 3.29Å; V221-L223 PolarHBondContact O-N 3.43Å; V221-L224 CarbonylContact O-C 3.48Å; V221-L224 WeakPolarHBondContact O-CB 3.24Å; V221-L224 PolarHBondContact O-N 3.26Å; V221-L224 VanDerWaalsContact O-N 3.09Å; V221-D225 PolarHBondContact O-N 3.24Å; V221-L258 HydrophobicContact CG2-CD1 4.1Å; V221-L258 HydrophobicContact CG2-CD2 4.4Å
222D93Very high91.2Very high74 Ų7448.8 Ų48.840%0.39624%0.244SC..Hα-helixtrans-60.5-39.3176.2-72.8-17000112N218 L219 D225 H226 K307N218-D222 WeakPolarHBondContact O-CB 3.47Å; N218-D222 PolarHBondContact O-N 2.99Å; L219-D222 PolarHBondContact O-N 2.96Å; D222-D225 PolarHBondContact O-N 3.26Å; D222-H226 PolarHBondContact O-N 2.84Å; D222-K307 HydrophobicContact CB-CD 4.18Å; D222-K307 WeakPolarHBondContact OD2-CE 3.39Å; D222-K307 IonicContact OD2-NZ 3.08Å; D222-K307 PolarHBondContact OD2-NZ 2.98Å
223L92.9Very high90.6Very high1 Ų152.1 Ų52.11%0.00525%0.254CS..Hα-helixtrans-68.3-38.5174.7-65.1176.5000111.5L219 V220 V221 H226 S229 L254 M276 I300 L303 F304L219-L223 HydrophobicContact CD2-CD1 3.79Å; L219-L223 HydrophobicContact CD2-CG 4.44Å; L219-L223 VanDerWaalsContact O-CG 3.3Å; L219-L223 WeakPolarHBondContact O-CG 3.24Å; L219-L223 PolarHBondContact O-N 3.44Å; L219-L223 VanDerWaalsContact O-N 3.1Å; V220-L223 PolarHBondContact O-N 2.89Å; V221-L223 VanDerWaalsContact C-N 3.29Å; V221-L223 PolarHBondContact O-N 3.43Å; L223-H226 PolarHBondContact O-N 3.32Å; L223-S229 WeakPolarHBondContact O-CB 3.34Å; L223-S229 PolarHBondContact O-OG 2.92Å; L223-L254 HydrophobicContact CB-CD1 4.23Å; L223-M276 HydrophobicContact CD1-CE 3.41Å; L223-M276 VanDerWaalsContact CD1-CE 3.41Å; L223-I300 HydrophobicContact CB-CG2 4.35Å; L223-I300 HydrophobicContact CD1-CG2 4.5Å; L223-I300 HydrophobicContact CD2-CG2 3.95Å; L223-I300 HydrophobicContact CG-CG2 4.48Å; L223-L303 HydrophobicContact CD2-CB 3.93Å; L223-F304 HydrophobicContact CD1-CB 3.9Å; L223-F304 HydrophobicContact CD1-CD2 3.93Å; L223-F304 HydrophobicContact CD1-CG 4.38Å; L223-F304 HydrophobicContact CD2-CB 4.31Å
224L91.4Very high89.2Confident23 Ų2353.4 Ų53.412%0.1227%0.274CS..Hα-helixtrans-64.7-37.9175.7-81.8168.8000111.8V220 V221 H226 S229 R233 L254 R255 L258V220-L224 HydrophobicContact CG1-CD1 4.22Å; V220-L224 WeakPolarHBondContact O-CB 3.48Å; V220-L224 WeakPolarHBondContact O-CG 3.37Å; V220-L224 PolarHBondContact O-N 3.37Å; V221-L224 CarbonylContact O-C 3.48Å; V221-L224 WeakPolarHBondContact O-CB 3.24Å; V221-L224 PolarHBondContact O-N 3.26Å; V221-L224 VanDerWaalsContact O-N 3.09Å; L224-H226 VanDerWaalsContact C-N 3.34Å; L224-S229 PolarHBondContact O-OG 3.4Å; L224-R233 HydrophobicContact CD2-CG 4.39Å; L224-R233 PolarHBondContact O-NE 2.85Å; L224-R233 VanDerWaalsContact O-NE 3.17Å; L224-R233 PolarHBondContact O-NH2 3.33Å; L224-L254 HydrophobicContact CD2-CB 3.52Å; L224-L254 HydrophobicContact CD2-CD1 4.15Å; L224-L254 HydrophobicContact CG-CB 3.96Å; L224-L254 HydrophobicContact CG-CD1 4.37Å; L224-R255 HydrophobicContact CD2-CG 4.38Å; L224-L258 HydrophobicContact CD1-CD2 3.87Å
225D91.6Very high87.2Confident129 Ų12957.4 Ų57.469%0.6929%0.293SS*.Hα-helixtrans-74.4-25.4180-167.452.4000112.9V221 D222 K227 R233V221-D225 PolarHBondContact O-N 3.24Å; D222-D225 PolarHBondContact O-N 3.26Å; D225-K227 PolarHBondContact O-N 3.09Å; D225-R233 PolarHBondContact O-NH2 3.39Å
226H92.8Very high84.7Confident49 Ų4957.6 Ų57.623%0.22731%0.305CS..SBendtrans-55.2137.7-177.6-170.6-97.8000113.3D222 L223 L224 M228 S229 R233 I300 L303D222-H226 PolarHBondContact O-N 2.84Å; L223-H226 PolarHBondContact O-N 3.32Å; L224-H226 VanDerWaalsContact C-N 3.34Å; H226-M228 PolarHBondContact ND1-N 3.3Å; H226-M228 VanDerWaalsContact ND1-N 3.19Å; H226-M228 PolarHBondContact O-N 3.45Å; H226-S229 VanDerWaalsContact O-CB 3.23Å; H226-S229 WeakPolarHBondContact O-CB 3.5Å; H226-S229 PolarHBondContact O-N 3.27Å; H226-S229 PolarHBondContact O-OG 3.15Å; H226-R233 PolarHBondContact O-NH2 2.88Å; H226-I300 HydrophobicContact CB-CD1 3.87Å; H226-I300 WeakPolarHBondContact ND1-CD1 3.42Å; H226-L303 WeakPolarHBondContact NE2-CD1 3.4Å
227K91.6Very high82Confident158 Ų15862.6 Ų62.669%0.68734%0.34SS*.THydrogen-bonded Turntrans-55.4-28.4-176.562.8177.7-178.5-176.30115D225D225-K227 PolarHBondContact O-N 3.09Å
228M89.4Confident79.5Confident61 Ų6163.2 Ų63.230%0.337%0.366SS..THydrogen-bonded Turntrans-948.7179.3-62-62.4114.200113.3H226 W230 P231 C296 V299 I300H226-M228 PolarHBondContact ND1-N 3.3Å; H226-M228 VanDerWaalsContact ND1-N 3.19Å; H226-M228 PolarHBondContact O-N 3.45Å; M228-W230 VanDerWaalsContact C-N 3.31Å; M228-P231 WeakPolarHBondContact O-CD 3.42Å; M228-C296 HydrophobicContact CB-CB 4.25Å; M228-C296 WeakPolarHBondContact O-CB 3.42Å; M228-V299 HydrophobicContact CB-CG1 4.42Å; M228-V299 HydrophobicContact CG-CG1 4.35Å; M228-I300 HydrophobicContact CB-CD1 4.19Å; M228-I300 HydrophobicContact CB-CG1 4.48Å
229S90.9Very high76.9Confident0 Ų065.8 Ų65.80%038%0.38CS..  trans-85.2-5.5-176.176.20000113.9L223 L224 H226 P231 F232 R233L223-S229 WeakPolarHBondContact O-CB 3.34Å; L223-S229 PolarHBondContact O-OG 2.92Å; L224-S229 PolarHBondContact O-OG 3.4Å; H226-S229 VanDerWaalsContact O-CB 3.23Å; H226-S229 WeakPolarHBondContact O-CB 3.5Å; H226-S229 PolarHBondContact O-N 3.27Å; H226-S229 PolarHBondContact O-OG 3.15Å; S229-P231 VanDerWaalsContact C-N 3.3Å; S229-P231 WeakPolarHBondContact O-CD 3.4Å; S229-P231 VanDerWaalsContact O-N 3.15Å; S229-F232 WeakPolarHBondContact O-CA 3.37Å; S229-F232 WeakPolarHBondContact O-CB 3.19Å; S229-F232 WeakPolarHBondContact O-CD2 3.03Å; S229-F232 PolarHBondContact O-N 3.11Å; S229-R233 PolarHBondContact O-N 2.9Å; S229-R233 PolarHBondContact OG-NE 3.17Å; S229-R233 PolarHBondContact OG-NH2 3.46Å; S229-R233 VanDerWaalsContact OG-NH2 3.07Å
230W87Confident74.5Confident117 Ų11770.8 Ų70.844%0.44341%0.41SS..G310 helixtrans-50.9-35.1-176.264-90.2000115M228 F232 R233 E293 C296M228-W230 VanDerWaalsContact C-N 3.31Å; W230-F232 PolarHBondContact O-N 3.45Å; W230-F232 VanDerWaalsContact O-N 3.15Å; W230-R233 PolarHBondContact O-N 2.8Å; W230-E293 HydrophobicContact CH2-CG 3.4Å; W230-E293 VanDerWaalsContact CH2-CG 3.4Å; W230-E293 WeakPolarHBondContact CH2-OE1 3.46Å; W230-E293 HydrophobicContact CZ2-CG 4.1Å; W230-E293 HydrophobicContact CZ3-CG 3.86Å; W230-C296 PolarHBondContact NE1-SG 2.9Å
231P87.5Confident71.8Confident18 Ų1874 Ų7412%0.11743%0.433CS..G310 helixtrans-66.6-17.5176.8-18.934.5000113.3M228 S229 V283 E293 C296M228-P231 WeakPolarHBondContact O-CD 3.42Å; S229-P231 VanDerWaalsContact C-N 3.3Å; S229-P231 WeakPolarHBondContact O-CD 3.4Å; S229-P231 VanDerWaalsContact O-N 3.15Å; P231-V283 HydrophobicContact CB-CG1 4.15Å; P231-V283 HydrophobicContact CB-CG2 4.43Å; P231-E293 HydrophobicContact CB-CB 4.28Å; P231-E293 HydrophobicContact CB-CG 4.21Å; P231-E293 HydrophobicContact CG-CB 4.19Å; P231-E293 HydrophobicContact CG-CG 4.1Å; P231-C296 HydrophobicContact CG-CB 3.76Å
232F86.7Confident69.6Low4 Ų477 Ų772%0.01845%0.453CS..G310 helixtrans-102.8-8.3-174.8-53.3-72.7000114.3S229 W230 G234 L254 V279 F280 V283 A297 I300S229-F232 WeakPolarHBondContact O-CA 3.37Å; S229-F232 WeakPolarHBondContact O-CB 3.19Å; S229-F232 WeakPolarHBondContact O-CD2 3.03Å; S229-F232 PolarHBondContact O-N 3.11Å; W230-F232 PolarHBondContact O-N 3.45Å; W230-F232 VanDerWaalsContact O-N 3.15Å; F232-G234 PolarHBondContact O-N 3.45Å; F232-L254 HydrophobicContact CB-CB 4.3Å; F232-L254 HydrophobicContact CB-CD1 3.58Å; F232-L254 HydrophobicContact CB-CG 3.7Å; F232-L254 HydrophobicContact CD2-CD1 4.4Å; F232-L254 HydrophobicContact CG-CD1 4.1Å; F232-L254 HydrophobicContact CG-CG 4.32Å; F232-L254 PolarHBondContact O-N 3.41Å; F232-V279 HydrophobicContact CD1-CG1 3.41Å; F232-V279 VanDerWaalsContact CD1-CG1 3.41Å; F232-V279 HydrophobicContact CE1-CG1 3.98Å; F232-V279 HydrophobicContact CG-CG1 4.3Å; F232-F280 AromaticContact CE1-CD1 3.82Å; F232-F280 HydrophobicContact CE1-CD1 3.82Å; F232-F280 HydrophobicContact CE1-CE1 4.44Å; F232-F280 AromaticContact CZ-CD1 3.91Å; F232-F280 HydrophobicContact CZ-CD1 3.91Å; F232-F280 HydrophobicContact CZ-CE1 4.44Å; F232-V283 HydrophobicContact CD1-CG2 3.6Å; F232-V283 HydrophobicContact CE1-CB 3.76Å; F232-V283 HydrophobicContact CE1-CG1 4.29Å; F232-V283 HydrophobicContact CE1-CG2 3.23Å; F232-V283 HydrophobicContact CZ-CB 4.19Å; F232-V283 HydrophobicContact CZ-CG1 4.27Å; F232-V283 HydrophobicContact CZ-CG2 3.99Å; F232-A297 HydrophobicContact CE1-CB 4.49Å; F232-A297 HydrophobicContact CZ-CB 3.73Å; F232-I300 HydrophobicContact CD2-CG1 4.17Å; F232-I300 HydrophobicContact CE2-CB 4.01Å; F232-I300 HydrophobicContact CE2-CG1 3.75Å; F232-I300 HydrophobicContact CE2-CG2 4.38Å
233R75.4Confident67.3Low91 Ų9178.4 Ų78.434%0.34347%0.47SS..SBendtrans-74.7-6.6-171.4-68-174.6-173.6-156.82.5114.2L224 D225 H226 S229 W230 R255L224-R233 HydrophobicContact CD2-CG 4.39Å; L224-R233 PolarHBondContact O-NE 2.85Å; L224-R233 VanDerWaalsContact O-NE 3.17Å; L224-R233 PolarHBondContact O-NH2 3.33Å; D225-R233 PolarHBondContact O-NH2 3.39Å; H226-R233 PolarHBondContact O-NH2 2.88Å; S229-R233 PolarHBondContact O-N 2.9Å; S229-R233 PolarHBondContact OG-NE 3.17Å; S229-R233 PolarHBondContact OG-NH2 3.46Å; S229-R233 VanDerWaalsContact OG-NH2 3.07Å; W230-R233 PolarHBondContact O-N 2.8Å; R233-R255 WeakPolarHBondContact O-CD 3.37Å; R233-R255 PolarHBondContact O-NE 2.85Å
234G61.6Low65.1Low49 Ų4983.9 Ų83.951%0.50549%0.491SS..  trans67.9140.6-172.900000110.7F232 S236F232-G234 PolarHBondContact O-N 3.45Å; G234-S236 VanDerWaalsContact C-N 3.26Å; G234-S236 PolarHBondContact O-N 3.38Å
235T47.8Very low62.8Low111 Ų11189.4 Ų89.468%0.68152%0.52SS*.  trans-68.980.5-177.851.30000110.9S237T235-S237 VanDerWaalsContact C-N 3.3Å; T235-S237 PolarHBondContact O-N 3.42Å
236S39.6Very low60.8Low86 Ų8692.1 Ų92.160%0.60153%0.526SS*.  trans-94.256.9167.563.60000109.7G234G234-S236 VanDerWaalsContact C-N 3.26Å; G234-S236 PolarHBondContact O-N 3.38Å
237S36.6Very low58.4Low104 Ų10497.8 Ų97.873%0.72756%0.557SS**SBendtrans176.294.6163.421.10000111.5T235 D239T235-S237 VanDerWaalsContact C-N 3.3Å; T235-S237 PolarHBondContact O-N 3.42Å; S237-D239 VanDerWaalsContact C-N 3.26Å; S237-D239 PolarHBondContact O-N 2.89Å
238G40.9Very low56.6Low88 Ų8896.7 Ų96.791%0.90756%0.555SS**  51.3-8.7129.600000124.3
239D38.1Very low54.9Low153 Ų153100.2 Ų100.282%0.81858%0.582SS**  trans-107.990.4-178.2-152.6-2000110.5S237 S241S237-D239 VanDerWaalsContact C-N 3.26Å; S237-D239 PolarHBondContact O-N 2.89Å; D239-S241 VanDerWaalsContact C-N 3.34Å; D239-S241 PolarHBondContact O-N 3.02Å
240V43Very low53.4Low109 Ų109104.8 Ų104.866%0.66161%0.607SS**  trans-74.489.3178.8-177.50000108P242V240-P242 WeakPolarHBondContact O-CD 3.46Å
241S38Very low52.2Low67 Ų67100.8 Ų100.847%0.46960%0.595SS.*  trans-61.2125.2161.8-178.40000108.7D239 S243 Y244D239-S241 VanDerWaalsContact C-N 3.34Å; D239-S241 PolarHBondContact O-N 3.02Å; S241-S243 PolarHBondContact O-N 3.18Å; S241-Y244 WeakPolarHBondContact O-CB 3.42Å; S241-Y244 PolarHBondContact O-N 3.47Å; S241-Y244 VanDerWaalsContact O-N 3.1Å
242P46.5Very low51.5Low124 Ų124101.5 Ų101.581%0.80560%0.599SS**G310 helixtrans-61.5-8.5-173.5-2332.2000115.4V240 Y244V240-P242 WeakPolarHBondContact O-CD 3.46Å; P242-Y244 VanDerWaalsContact C-N 3.31Å
243S44.2Very low51.3Low105 Ų105102.2 Ų102.273%0.73461%0.608SS**G310 helixtrans-81.4-6.3176.269.20000114S241 N245S241-S243 PolarHBondContact O-N 3.18Å; S243-N245 VanDerWaalsContact C-N 3.34Å; S243-N245 PolarHBondContact O-N 2.91Å
244Y47.7Very low52Low115 Ų11597.9 Ų97.945%0.45159%0.592SS.*G310 helixtrans-83.1-1.3-170.9-147.9-97.8000115.2S241 P242 R286S241-Y244 WeakPolarHBondContact O-CB 3.42Å; S241-Y244 PolarHBondContact O-N 3.47Å; S241-Y244 VanDerWaalsContact O-N 3.1Å; P242-Y244 VanDerWaalsContact C-N 3.31Å; Y244-R286 PolarHBondContact OH-NH1 3.2Å; Y244-R286 VanDerWaalsContact OH-NH1 3.16Å
245N42.4Very low53.3Low139 Ų139101.7 Ų101.774%0.74359%0.591SS**  trans-110.433.7-166.7-104.1-12.2000115.8S243S243-N245 VanDerWaalsContact C-N 3.34Å; S243-N245 PolarHBondContact O-N 2.91Å
246K50Low55.3Low187 Ų187100.2 Ų100.281%0.81358%0.582SS**SBendtrans-135.5106.5167.8-68.9-174.5-175.9-177.90111.3
247L42.6Very low57.7Low167 Ų16796.2 Ų96.287%0.87455%0.554SS**SBendtrans91.3109.8156-59.6140.4000118.4
248Q52.1Low60.4Low136 Ų13692.9 Ų92.964%0.63653%0.528SS*.  trans66.6116.9163.4-81.1178.6-92.600121.5D250Q248-D250 PolarHBondContact NE2-OD2 3.19Å; Q248-D250 PolarHBondContact O-N 3.41Å
249P54.9Low62.8Low135 Ų13592.9 Ų92.988%0.87751%0.507SS*.  trans-89.123.9177.536.3-33.8000114.8
250D58.1Low65.3Low96 Ų9686 Ų8651%0.51347%0.472SS..  trans-997-161.464.7-13.8000116.1Q248 P252Q248-D250 PolarHBondContact NE2-OD2 3.19Å; Q248-D250 PolarHBondContact O-N 3.41Å; D250-P252 WeakPolarHBondContact O-CD 3.5Å
251T62.8Low67.6Low32 Ų3280.9 Ų80.920%0.19644%0.441CS..PPolyproline II helixtrans-92.6117.8176.5-56.60000110.6
252P71.7Confident70.2Confident33 Ų3381.6 Ų81.621%0.21444%0.438CS..PPolyproline II helixtrans-61.7140.2174.324.2-30.4000110.4D250 T256 I257 K278 V279D250-P252 WeakPolarHBondContact O-CD 3.5Å; P252-T256 HydrophobicContact CB-CG2 4.12Å; P252-I257 HydrophobicContact CB-CD1 4.38Å; P252-K278 HydrophobicContact CG-CB 4.41Å; P252-V279 HydrophobicContact CG-CG2 4.14Å; P252-V279 WeakPolarHBondContact O-CG2 3.49Å
253G84.2Confident72.3Confident19 Ų1982.6 Ų82.620%0.19643%0.432CS..PPolyproline II helixtrans-82.8167.5169.600000111R255 T256 I257G253-R255 PolarHBondContact O-N 3.12Å; G253-T256 WeakPolarHBondContact O-CB 3.42Å; G253-T256 PolarHBondContact O-N 3.35Å; G253-I257 PolarHBondContact O-N 3.12Å
254L89.4Confident74.4Confident0 Ų082.7 Ų82.70%042%0.421CS..Hα-helixtrans-60.1-28.6174.4-78.1176000112.4L223 L224 F232 I257 L258 M276 V279L223-L254 HydrophobicContact CB-CD1 4.23Å; L224-L254 HydrophobicContact CD2-CB 3.52Å; L224-L254 HydrophobicContact CD2-CD1 4.15Å; L224-L254 HydrophobicContact CG-CB 3.96Å; L224-L254 HydrophobicContact CG-CD1 4.37Å; F232-L254 HydrophobicContact CB-CB 4.3Å; F232-L254 HydrophobicContact CB-CD1 3.58Å; F232-L254 HydrophobicContact CB-CG 3.7Å; F232-L254 HydrophobicContact CD2-CD1 4.4Å; F232-L254 HydrophobicContact CG-CD1 4.1Å; F232-L254 HydrophobicContact CG-CG 4.32Å; F232-L254 PolarHBondContact O-N 3.41Å; L254-I257 PolarHBondContact O-N 3.45Å; L254-L258 PolarHBondContact O-N 2.99Å; L254-M276 HydrophobicContact CD2-CE 3.66Å; L254-M276 HydrophobicContact CD2-SD 3.75Å; L254-V279 HydrophobicContact CD2-CG1 4.33Å; L254-V279 HydrophobicContact CG-CG1 4.28Å
255R88.4Confident76.3Confident129 Ų12980.7 Ų80.749%0.48742%0.423SS..Hα-helixtrans-63.1-43.1173.2-66.2-177.1-177.3-88.53.9112.2L224 R233 G253 I257 L258 D259L224-R255 HydrophobicContact CD2-CG 4.38Å; R233-R255 WeakPolarHBondContact O-CD 3.37Å; R233-R255 PolarHBondContact O-NE 2.85Å; G253-R255 PolarHBondContact O-N 3.12Å; R255-I257 VanDerWaalsContact C-N 3.28Å; R255-I257 PolarHBondContact O-N 3.41Å; R255-L258 WeakPolarHBondContact O-CB 3.49Å; R255-L258 PolarHBondContact O-N 3.49Å; R255-L258 VanDerWaalsContact O-N 3.16Å; R255-D259 VanDerWaalsContact O-CG 3.29Å; R255-D259 PolarHBondContact O-N 3.4Å
256T89.6Confident78.4Confident81 Ų8174.7 Ų74.750%0.49739%0.39SS..Hα-helixtrans-62.4-38.5175.8-48.90000111.3P252 G253 D259 G260P252-T256 HydrophobicContact CB-CG2 4.12Å; G253-T256 WeakPolarHBondContact O-CB 3.42Å; G253-T256 PolarHBondContact O-N 3.35Å; T256-D259 PolarHBondContact O-N 3.24Å; T256-G260 PolarHBondContact O-N 3.29Å
257I90.4Very high79.9Confident2 Ų270 Ų701%0.0138%0.38CS..Hα-helixtrans-64.3-45.7174.1-57.2-57.8000110.8V220 P252 G253 L254 R255 D259 G260 V261 Y266 F272 D275 M276 V279V220-I257 HydrophobicContact CG2-CG2 4.15Å; P252-I257 HydrophobicContact CB-CD1 4.38Å; G253-I257 PolarHBondContact O-N 3.12Å; L254-I257 PolarHBondContact O-N 3.45Å; R255-I257 VanDerWaalsContact C-N 3.28Å; R255-I257 PolarHBondContact O-N 3.41Å; I257-D259 VanDerWaalsContact C-N 3.33Å; I257-D259 PolarHBondContact O-N 3.32Å; I257-G260 PolarHBondContact O-N 3.19Å; I257-G260 VanDerWaalsContact O-N 3.15Å; I257-V261 HydrophobicContact CG2-CG2 4.44Å; I257-V261 WeakPolarHBondContact O-CG2 3.39Å; I257-V261 PolarHBondContact O-N 3.2Å; I257-Y266 WeakPolarHBondContact CD1-OH 3.44Å; I257-F272 HydrophobicContact CG2-CD2 4.13Å; I257-F272 HydrophobicContact CG2-CE2 3.61Å; I257-D275 HydrophobicContact CD1-CB 3.66Å; I257-M276 HydrophobicContact CB-SD 4.26Å; I257-M276 HydrophobicContact CG1-SD 4.08Å; I257-M276 HydrophobicContact CG2-CG 4.31Å; I257-M276 HydrophobicContact CG2-SD 3.72Å; I257-V279 HydrophobicContact CD1-CG2 3.99Å; I257-V279 HydrophobicContact CG1-CG2 3.64Å
258L92.8Very high81.7Confident34 Ų3463 Ų6318%0.17835%0.345CS..Hα-helixtrans-57.4-46.8177.1-176.461.7000111.2E217 V220 V221 L224 L254 R255 G260 V261 M262E217-L258 HydrophobicContact CG-CD1 4.21Å; V220-L258 HydrophobicContact CB-CD1 4.16Å; V220-L258 HydrophobicContact CG1-CB 3.79Å; V220-L258 HydrophobicContact CG1-CD1 4.11Å; V220-L258 HydrophobicContact CG1-CG 4.47Å; V221-L258 HydrophobicContact CG2-CD1 4.1Å; V221-L258 HydrophobicContact CG2-CD2 4.4Å; L224-L258 HydrophobicContact CD1-CD2 3.87Å; L254-L258 PolarHBondContact O-N 2.99Å; R255-L258 WeakPolarHBondContact O-CB 3.49Å; R255-L258 PolarHBondContact O-N 3.49Å; R255-L258 VanDerWaalsContact O-N 3.16Å; L258-G260 VanDerWaalsContact C-N 3.31Å; L258-G260 PolarHBondContact O-N 3.03Å; L258-V261 WeakPolarHBondContact O-CB 3.36Å; L258-V261 PolarHBondContact O-N 3.2Å; L258-V261 VanDerWaalsContact O-N 3.11Å; L258-M262 WeakPolarHBondContact O-CG 3.44Å; L258-M262 PolarHBondContact O-N 2.92Å
259D91.3Very high83.3Confident88 Ų8857.1 Ų57.147%0.47132%0.317SS..Hα-helixtrans-59.1-42.9176.4-65.2-25.5000111.2R255 T256 I257 V261 M262 Q263R255-D259 VanDerWaalsContact O-CG 3.29Å; R255-D259 PolarHBondContact O-N 3.4Å; T256-D259 PolarHBondContact O-N 3.24Å; I257-D259 VanDerWaalsContact C-N 3.33Å; I257-D259 PolarHBondContact O-N 3.32Å; D259-V261 VanDerWaalsContact C-N 3.34Å; D259-V261 PolarHBondContact O-N 3.05Å; D259-M262 PolarHBondContact O-N 3.3Å; D259-Q263 WeakPolarHBondContact O-CB 3.41Å; D259-Q263 VanDerWaalsContact O-CG 3.25Å; D259-Q263 WeakPolarHBondContact O-CG 3.37Å; D259-Q263 PolarHBondContact O-N 3.11Å
260G90.9Very high84.3Confident9 Ų952.4 Ų52.49%0.09329%0.288CS..Hα-helixtrans-63-36.717500000113.5T256 I257 L258 Q263 H264 S265T256-G260 PolarHBondContact O-N 3.29Å; I257-G260 PolarHBondContact O-N 3.19Å; I257-G260 VanDerWaalsContact O-N 3.15Å; L258-G260 VanDerWaalsContact C-N 3.31Å; L258-G260 PolarHBondContact O-N 3.03Å; G260-Q263 PolarHBondContact O-N 3.29Å; G260-H264 PolarHBondContact O-N 3.27Å; G260-S265 WeakPolarHBondContact O-CB 3.34Å; G260-S265 PolarHBondContact O-N 3.44Å; G260-S265 PolarHBondContact O-OG 3.34Å
261V92.7Very high85.4Confident0 Ų051.1 Ų51.10%028%0.281CS..Hα-helixtrans-66.5-44.9174.3175.10000109.9Y213 L216 E217 V220 I257 L258 D259 Q263 H264 Y266 F272Y213-V261 HydrophobicContact CD1-CG1 4.12Å; Y213-V261 WeakPolarHBondContact CD1-O 3.5Å; L216-V261 HydrophobicContact CB-CG1 3.8Å; L216-V261 HydrophobicContact CB-CG2 4.36Å; E217-V261 HydrophobicContact CB-CG1 4.38Å; V220-V261 HydrophobicContact CG2-CG2 4.44Å; I257-V261 HydrophobicContact CG2-CG2 4.44Å; I257-V261 WeakPolarHBondContact O-CG2 3.39Å; I257-V261 PolarHBondContact O-N 3.2Å; L258-V261 WeakPolarHBondContact O-CB 3.36Å; L258-V261 PolarHBondContact O-N 3.2Å; L258-V261 VanDerWaalsContact O-N 3.11Å; D259-V261 VanDerWaalsContact C-N 3.34Å; D259-V261 PolarHBondContact O-N 3.05Å; V261-Q263 VanDerWaalsContact C-N 3.31Å; V261-Q263 PolarHBondContact O-N 2.88Å; V261-H264 PolarHBondContact O-CD2 3.16Å; V261-H264 PolarHBondContact O-N 2.95Å; V261-H264 VanDerWaalsContact O-N 3.13Å; V261-Y266 HydrophobicContact CB-CE2 4.5Å; V261-Y266 HydrophobicContact CG2-CD2 3.98Å; V261-Y266 HydrophobicContact CG2-CE2 3.69Å; V261-F272 HydrophobicContact CG2-CD2 3.97Å; V261-F272 HydrophobicContact CG2-CE2 3.77Å
262M91Very high86.6Confident83 Ų8349.6 Ų49.641%0.40927%0.271SS..Hα-helixtrans-64-33.4177.4-66.7-63.192.900113.3E217 L258 D259 H264E217-M262 HydrophobicContact CB-CE 3.48Å; E217-M262 VanDerWaalsContact CB-CE 3.48Å; E217-M262 HydrophobicContact CG-CE 3.36Å; E217-M262 HydrophobicContact CG-SD 4.27Å; E217-M262 WeakPolarHBondContact OE2-CE 3.43Å; L258-M262 WeakPolarHBondContact O-CG 3.44Å; L258-M262 PolarHBondContact O-N 2.92Å; D259-M262 PolarHBondContact O-N 3.3Å; M262-H264 VanDerWaalsContact C-N 3.25Å; M262-H264 PolarHBondContact O-N 3.32Å
263Q91.1Very high87.3Confident144 Ų14449.1 Ų49.167%0.67327%0.27SS*.THydrogen-bonded Turntrans-84.13.4177-68.2172.820.200113.4D259 G260 V261 S265D259-Q263 WeakPolarHBondContact O-CB 3.41Å; D259-Q263 VanDerWaalsContact O-CG 3.25Å; D259-Q263 WeakPolarHBondContact O-CG 3.37Å; D259-Q263 PolarHBondContact O-N 3.11Å; G260-Q263 PolarHBondContact O-N 3.29Å; V261-Q263 VanDerWaalsContact C-N 3.31Å; V261-Q263 PolarHBondContact O-N 2.88Å; Q263-S265 VanDerWaalsContact C-N 3.25Å; Q263-S265 PolarHBondContact O-N 3.07Å
264H88.4Confident87.3Confident108 Ų10851.6 Ų51.650%0.528%0.281SS..THydrogen-bonded Turntrans53.839.8-175-63.5-179.4000113.3Y213 G260 V261 M262 Y266Y213-H264 AromaticContact CD1-CD2 3.63Å; Y213-H264 AromaticContact CD2-CD2 3.9Å; Y213-H264 AromaticContact CD2-NE2 3.97Å; Y213-H264 HydrophobicContact CE1-CB 4.01Å; Y213-H264 AromaticContact CE1-CD2 3.84Å; Y213-H264 HydrophobicContact CE2-CB 4.23Å; Y213-H264 AromaticContact CE2-CG 3.97Å; Y213-H264 AromaticContact CG-CD2 3.64Å; Y213-H264 AromaticContact CG-NE2 3.82Å; Y213-H264 AromaticContact CZ-CG 3.86Å; Y213-H264 WeakPolarHBondContact OH-CA 3.39Å; Y213-H264 PolarHBondContact OH-O 2.97Å; G260-H264 PolarHBondContact O-N 3.27Å; V261-H264 PolarHBondContact O-CD2 3.16Å; V261-H264 PolarHBondContact O-N 2.95Å; V261-H264 VanDerWaalsContact O-N 3.13Å; M262-H264 VanDerWaalsContact C-N 3.25Å; M262-H264 PolarHBondContact O-N 3.32Å; H264-Y266 VanDerWaalsContact C-N 3.27Å; H264-Y266 PolarHBondContact O-N 3.22Å
265S88.2Confident87.1Confident73 Ų7353.7 Ų53.751%0.5129%0.292SS..  trans-76.4-9.7-176.2-62.30000114.1G260 Q263G260-S265 WeakPolarHBondContact O-CB 3.34Å; G260-S265 PolarHBondContact O-N 3.44Å; G260-S265 PolarHBondContact O-OG 3.34Å; Q263-S265 VanDerWaalsContact C-N 3.25Å; Q263-S265 PolarHBondContact O-N 3.07Å
266Y87Confident87.1Confident12 Ų1247.5 Ų47.55%0.04727%0.269CS..  trans-106.1116.6-175-58-73.2000111.5L208 Y213 I257 V261 H264 D271 F272 D275L208-Y266 WeakPolarHBondContact CD1-O 3.34Å; Y213-Y266 PolarHBondContact OH-O 3.4Å; I257-Y266 WeakPolarHBondContact CD1-OH 3.44Å; V261-Y266 HydrophobicContact CB-CE2 4.5Å; V261-Y266 HydrophobicContact CG2-CD2 3.98Å; V261-Y266 HydrophobicContact CG2-CE2 3.69Å; H264-Y266 VanDerWaalsContact C-N 3.27Å; H264-Y266 PolarHBondContact O-N 3.22Å; Y266-D271 HydrophobicContact CD1-CB 4.09Å; Y266-F272 HydrophobicContact CD1-CB 4.01Å; Y266-F272 HydrophobicContact CD2-CB 4.4Å; Y266-F272 HydrophobicContact CD2-CD2 4.15Å; Y266-F272 HydrophobicContact CE1-CB 4.49Å; Y266-F272 HydrophobicContact CE2-CD2 4.01Å; Y266-F272 HydrophobicContact CG-CB 3.95Å; Y266-D275 HydrophobicContact CE1-CB 4.03Å; Y266-D275 WeakPolarHBondContact CE1-OD2 3.3Å
267C81.2Confident87.1Confident89 Ų8945.3 Ų45.360%0.60126%0.259SS*.SBendtrans-75.5-34.5179.8-70.40000112.4Q207 L208 D271Q207-C267 WeakPolarHBondContact CA-O 3.27Å; L208-C267 PolarHBondContact N-O 3.29Å; C267-D271 PolarHBondContact N-OD2 3.14Å
268T80.1Confident86.8Confident21 Ų2150 Ų5013%0.12928%0.279CS..BIsolated β-bridgetrans-133.5161.2-175.968.20000112M204 V205 S270 D271 F272M204-T268 WeakPolarHBondContact O-CB 3.33Å; V205-T268 WeakPolarHBondContact O-CG2 3.34Å; T268-S270 PolarHBondContact O-N 2.8Å; T268-S270 PolarHBondContact OG1-N 3.49Å; T268-D271 PolarHBondContact N-OD2 3.48Å; T268-D271 PolarHBondContact O-N 3.27Å; T268-D271 PolarHBondContact OG1-N 3.4Å; T268-D271 PolarHBondContact OG1-OD2 3.38Å; T268-F272 PolarHBondContact O-N 2.94Å
269L84.6Confident86.5Confident12 Ų1248.5 Ų48.56%0.06327%0.272CS..Hα-helixtrans-60.1-27.1171.7-79.8174.7000112.4M204 L208 L216 A273 L308 I311 K312M204-L269 PolarHBondContact O-N 3.43Å; L208-L269 HydrophobicContact CD2-CD2 3.68Å; L208-L269 HydrophobicContact CD2-CG 3.7Å; L216-L269 HydrophobicContact CD1-CD2 4.45Å; L216-L269 HydrophobicContact CD2-CD2 3.83Å; L269-A273 VanDerWaalsContact O-CB 3.31Å; L269-A273 WeakPolarHBondContact O-CB 3.23Å; L269-A273 PolarHBondContact O-N 3.4Å; L269-L308 HydrophobicContact CD2-CD1 4.18Å; L269-I311 HydrophobicContact CD2-CG2 4.46Å; L269-K312 HydrophobicContact CD1-CG 3.9Å
270S76.5Confident86.4Confident36 Ų3644.4 Ų44.425%0.25225%0.249SC..Hα-helixtrans-63.4-47.7174.6-57.50000111.6M204 T268 F272 A273 V274M204-S270 VanDerWaalsContact C-OG 3.25Å; M204-S270 WeakPolarHBondContact CB-OG 3.39Å; M204-S270 PolarHBondContact O-N 2.84Å; M204-S270 PolarHBondContact O-OG 3.44Å; T268-S270 PolarHBondContact O-N 2.8Å; T268-S270 PolarHBondContact OG1-N 3.49Å; S270-F272 VanDerWaalsContact C-N 3.31Å; S270-F272 PolarHBondContact O-N 3.2Å; S270-A273 PolarHBondContact O-N 3.17Å; S270-V274 VanDerWaalsContact O-CG2 3.3Å; S270-V274 WeakPolarHBondContact O-CG2 3.44Å; S270-V274 PolarHBondContact O-N 3.21Å
271D80.5Confident86.2Confident69 Ų6946.7 Ų46.737%0.36926%0.26SS..Hα-helixtrans-59.6-46-178.5-55.4-40.7000110.6Y266 C267 T268 V274 D275Y266-D271 HydrophobicContact CD1-CB 4.09Å; C267-D271 PolarHBondContact N-OD2 3.14Å; T268-D271 PolarHBondContact N-OD2 3.48Å; T268-D271 PolarHBondContact O-N 3.27Å; T268-D271 PolarHBondContact OG1-N 3.4Å; T268-D271 PolarHBondContact OG1-OD2 3.38Å; D271-V274 PolarHBondContact O-N 3.24Å; D271-D275 PolarHBondContact O-N 3.4Å
272F88.5Confident85.8Confident0 Ų046.9 Ų46.90%026%0.261CS..Hα-helixtrans-61.1-45.4175.2171.3-107.5000112.7L216 L219 V220 I257 V261 Y266 T268 S270 V274 D275 M276 F304 L308L216-F272 HydrophobicContact CD1-CG 4.34Å; L216-F272 HydrophobicContact CD2-CD1 3.69Å; L216-F272 HydrophobicContact CD2-CE1 3.54Å; L216-F272 HydrophobicContact CD2-CG 4.3Å; L216-F272 HydrophobicContact CD2-CZ 4.07Å; L219-F272 HydrophobicContact CD2-CE1 4.33Å; L219-F272 HydrophobicContact CD2-CZ 3.95Å; V220-F272 HydrophobicContact CG2-CE2 3.81Å; V220-F272 HydrophobicContact CG2-CZ 3.8Å; I257-F272 HydrophobicContact CG2-CD2 4.13Å; I257-F272 HydrophobicContact CG2-CE2 3.61Å; V261-F272 HydrophobicContact CG2-CD2 3.97Å; V261-F272 HydrophobicContact CG2-CE2 3.77Å; Y266-F272 HydrophobicContact CD1-CB 4.01Å; Y266-F272 HydrophobicContact CD2-CB 4.4Å; Y266-F272 HydrophobicContact CD2-CD2 4.15Å; Y266-F272 HydrophobicContact CE1-CB 4.49Å; Y266-F272 HydrophobicContact CE2-CD2 4.01Å; Y266-F272 HydrophobicContact CG-CB 3.95Å; T268-F272 PolarHBondContact O-N 2.94Å; S270-F272 VanDerWaalsContact C-N 3.31Å; S270-F272 PolarHBondContact O-N 3.2Å; F272-V274 VanDerWaalsContact C-N 3.33Å; F272-V274 PolarHBondContact O-N 2.88Å; F272-D275 PolarHBondContact O-N 3.29Å; F272-M276 HydrophobicContact CD2-CG 4.38Å; F272-M276 HydrophobicContact CE1-CG 4.17Å; F272-M276 HydrophobicContact CE2-CG 3.91Å; F272-M276 HydrophobicContact CE2-SD 4.4Å; F272-M276 HydrophobicContact CZ-CG 3.79Å; F272-M276 HydrophobicContact CZ-SD 4.34Å; F272-M276 WeakPolarHBondContact O-CG 3.23Å; F272-M276 PolarHBondContact O-N 3.43Å; F272-F304 HydrophobicContact CD1-CE2 4.44Å; F272-F304 AromaticContact CE1-CE2 3.56Å; F272-F304 HydrophobicContact CE1-CE2 3.56Å; F272-F304 HydrophobicContact CE1-CZ 4.08Å; F272-F304 AromaticContact CZ-CE2 3.99Å; F272-F304 HydrophobicContact CZ-CE2 3.99Å; F272-L308 HydrophobicContact CD1-CD1 4.26Å; F272-L308 HydrophobicContact CE1-CD1 4.09Å
273A87.4Confident85.6Confident23 Ų2343.1 Ų43.119%0.1924%0.243CC..Hα-helixtrans-66.2-35.4-179.500000112.7L269 S270 M276 A277 F304 L308L269-A273 VanDerWaalsContact O-CB 3.31Å; L269-A273 WeakPolarHBondContact O-CB 3.23Å; L269-A273 PolarHBondContact O-N 3.4Å; S270-A273 PolarHBondContact O-N 3.17Å; A273-M276 PolarHBondContact O-N 2.93Å; A273-A277 WeakPolarHBondContact O-CB 3.46Å; A273-A277 PolarHBondContact O-N 3.2Å; A273-F304 HydrophobicContact CB-CZ 4.46Å; A273-L308 HydrophobicContact CB-CD2 4.37Å
274V83.4Confident85.4Confident70 Ų7037.8 Ų37.842%0.42422%0.217SC..Hα-helixtrans-62.3-46.3175.5167.40000110.7S270 D271 F272 A277 K278S270-V274 VanDerWaalsContact O-CG2 3.3Å; S270-V274 WeakPolarHBondContact O-CG2 3.44Å; S270-V274 PolarHBondContact O-N 3.21Å; D271-V274 PolarHBondContact O-N 3.24Å; F272-V274 VanDerWaalsContact C-N 3.33Å; F272-V274 PolarHBondContact O-N 2.88Å; V274-A277 PolarHBondContact O-N 3.3Å; V274-K278 WeakPolarHBondContact O-CG 3.35Å; V274-K278 PolarHBondContact O-N 3.21Å; V274-K278 VanDerWaalsContact O-N 3.12Å
275D84.8Confident85.3Confident44 Ų4441.4 Ų41.424%0.23523%0.226CC..Hα-helixtrans-69.4-37.4180-81.5-2.7000112.3I257 Y266 D271 F272 A277 K278 V279I257-D275 HydrophobicContact CD1-CB 3.66Å; Y266-D275 HydrophobicContact CE1-CB 4.03Å; Y266-D275 WeakPolarHBondContact CE1-OD2 3.3Å; D271-D275 PolarHBondContact O-N 3.4Å; F272-D275 PolarHBondContact O-N 3.29Å; D275-A277 VanDerWaalsContact C-N 3.33Å; D275-A277 PolarHBondContact O-N 2.8Å; D275-K278 WeakPolarHBondContact O-CB 3.35Å; D275-K278 PolarHBondContact O-N 3.45Å; D275-K278 VanDerWaalsContact O-N 3.12Å; D275-K278 WeakPolarHBondContact OD1-CE 3.24Å; D275-K278 IonicContact OD1-NZ 3.07Å; D275-K278 PolarHBondContact OD1-NZ 3.36Å; D275-V279 WeakPolarHBondContact O-CG2 3.5Å; D275-V279 PolarHBondContact O-N 3.25Å
276M90.1Very high85.1Confident0 Ų043 Ų430%022%0.221CC..Hα-helixtrans-59-42170.7-75.7-65.2-71.800112.6L223 L254 I257 F272 A273 K278 V279 F280 F304L223-M276 HydrophobicContact CD1-CE 3.41Å; L223-M276 VanDerWaalsContact CD1-CE 3.41Å; L254-M276 HydrophobicContact CD2-CE 3.66Å; L254-M276 HydrophobicContact CD2-SD 3.75Å; I257-M276 HydrophobicContact CB-SD 4.26Å; I257-M276 HydrophobicContact CG1-SD 4.08Å; I257-M276 HydrophobicContact CG2-CG 4.31Å; I257-M276 HydrophobicContact CG2-SD 3.72Å; F272-M276 HydrophobicContact CD2-CG 4.38Å; F272-M276 HydrophobicContact CE1-CG 4.17Å; F272-M276 HydrophobicContact CE2-CG 3.91Å; F272-M276 HydrophobicContact CE2-SD 4.4Å; F272-M276 HydrophobicContact CZ-CG 3.79Å; F272-M276 HydrophobicContact CZ-SD 4.34Å; F272-M276 WeakPolarHBondContact O-CG 3.23Å; F272-M276 PolarHBondContact O-N 3.43Å; A273-M276 PolarHBondContact O-N 2.93Å; M276-K278 VanDerWaalsContact C-N 3.29Å; M276-K278 PolarHBondContact O-N 2.87Å; M276-V279 WeakPolarHBondContact O-CB 3.32Å; M276-V279 PolarHBondContact O-N 3.46Å; M276-V279 VanDerWaalsContact O-N 3.14Å; M276-F280 HydrophobicContact CB-CE2 4.33Å; M276-F280 HydrophobicContact CE-CE1 4.46Å; M276-F280 HydrophobicContact CE-CE2 4.09Å; M276-F280 HydrophobicContact CE-CZ 3.59Å; M276-F280 VanDerWaalsContact O-CD2 3.23Å; M276-F280 WeakPolarHBondContact O-CD2 3.31Å; M276-F280 PolarHBondContact O-N 3.1Å; M276-F304 HydrophobicContact CB-CE1 4.04Å; M276-F304 HydrophobicContact CB-CE2 3.95Å; M276-F304 HydrophobicContact CB-CZ 3.64Å; M276-F304 HydrophobicContact CE-CB 4.49Å; M276-F304 HydrophobicContact CE-CD2 3.45Å; M276-F304 VanDerWaalsContact CE-CD2 3.45Å; M276-F304 HydrophobicContact CE-CE2 3.73Å; M276-F304 HydrophobicContact CE-CG 4Å; M276-F304 HydrophobicContact CG-CD2 4.35Å; M276-F304 HydrophobicContact CG-CE2 3.65Å; M276-F304 HydrophobicContact CG-CZ 3.81Å; M276-F304 HydrophobicContact SD-CE2 4.49Å
277A87.7Confident85Confident34 Ų3444.9 Ų44.928%0.28123%0.228SC..Hα-helixtrans-63.3-34.6175.600000112.3A273 V274 D275 V279 F280 N281A273-A277 WeakPolarHBondContact O-CB 3.46Å; A273-A277 PolarHBondContact O-N 3.2Å; V274-A277 PolarHBondContact O-N 3.3Å; D275-A277 VanDerWaalsContact C-N 3.33Å; D275-A277 PolarHBondContact O-N 2.8Å; A277-V279 VanDerWaalsContact C-N 3.32Å; A277-V279 PolarHBondContact O-N 2.87Å; A277-F280 PolarHBondContact O-N 2.82Å; A277-N281 VanDerWaalsContact O-CB 3.27Å; A277-N281 WeakPolarHBondContact O-CB 3.37Å; A277-N281 VanDerWaalsContact O-CG 3.3Å; A277-N281 PolarHBondContact O-N 3.35Å; A277-N281 PolarHBondContact O-ND2 3.27Å
278K85Confident85.2Confident102 Ų10243.2 Ų43.244%0.44323%0.226SC..Hα-helixtrans-62-40.2173.5-66.4172.5-171.5161.50111.4P252 V274 D275 M276 G282P252-K278 HydrophobicContact CG-CB 4.41Å; V274-K278 WeakPolarHBondContact O-CG 3.35Å; V274-K278 PolarHBondContact O-N 3.21Å; V274-K278 VanDerWaalsContact O-N 3.12Å; D275-K278 WeakPolarHBondContact O-CB 3.35Å; D275-K278 PolarHBondContact O-N 3.45Å; D275-K278 VanDerWaalsContact O-N 3.12Å; D275-K278 WeakPolarHBondContact OD1-CE 3.24Å; D275-K278 IonicContact OD1-NZ 3.07Å; D275-K278 PolarHBondContact OD1-NZ 3.36Å; M276-K278 VanDerWaalsContact C-N 3.29Å; M276-K278 PolarHBondContact O-N 2.87Å; K278-G282 PolarHBondContact O-N 3.38Å
279V87.3Confident85.5Confident2 Ų246.3 Ų46.31%0.01225%0.245CC..Hα-helixtrans-58.8-53.2176.3-177.90000110.8F232 P252 L254 I257 D275 M276 A277 G282 V283F232-V279 HydrophobicContact CD1-CG1 3.41Å; F232-V279 VanDerWaalsContact CD1-CG1 3.41Å; F232-V279 HydrophobicContact CE1-CG1 3.98Å; F232-V279 HydrophobicContact CG-CG1 4.3Å; P252-V279 HydrophobicContact CG-CG2 4.14Å; P252-V279 WeakPolarHBondContact O-CG2 3.49Å; L254-V279 HydrophobicContact CD2-CG1 4.33Å; L254-V279 HydrophobicContact CG-CG1 4.28Å; I257-V279 HydrophobicContact CD1-CG2 3.99Å; I257-V279 HydrophobicContact CG1-CG2 3.64Å; D275-V279 WeakPolarHBondContact O-CG2 3.5Å; D275-V279 PolarHBondContact O-N 3.25Å; M276-V279 WeakPolarHBondContact O-CB 3.32Å; M276-V279 PolarHBondContact O-N 3.46Å; M276-V279 VanDerWaalsContact O-N 3.14Å; A277-V279 VanDerWaalsContact C-N 3.32Å; A277-V279 PolarHBondContact O-N 2.87Å; V279-G282 PolarHBondContact O-N 2.99Å; V279-V283 PolarHBondContact O-N 3.43Å
280F88.4Confident85.6Confident1 Ų153.3 Ų53.30%0.00428%0.282CS..Hα-helixtrans-64.9-46.2-178.2-56.4-44.7000112.4F232 M276 A277 G282 V283 R284 I300 E301 F304F232-F280 AromaticContact CE1-CD1 3.82Å; F232-F280 HydrophobicContact CE1-CD1 3.82Å; F232-F280 HydrophobicContact CE1-CE1 4.44Å; F232-F280 AromaticContact CZ-CD1 3.91Å; F232-F280 HydrophobicContact CZ-CD1 3.91Å; F232-F280 HydrophobicContact CZ-CE1 4.44Å; M276-F280 HydrophobicContact CB-CE2 4.33Å; M276-F280 HydrophobicContact CE-CE1 4.46Å; M276-F280 HydrophobicContact CE-CE2 4.09Å; M276-F280 HydrophobicContact CE-CZ 3.59Å; M276-F280 VanDerWaalsContact O-CD2 3.23Å; M276-F280 WeakPolarHBondContact O-CD2 3.31Å; M276-F280 PolarHBondContact O-N 3.1Å; A277-F280 PolarHBondContact O-N 2.82Å; F280-G282 VanDerWaalsContact C-N 3.31Å; F280-G282 PolarHBondContact O-N 3.19Å; F280-V283 PolarHBondContact O-N 2.89Å; F280-R284 WeakPolarHBondContact O-CG 3.46Å; F280-R284 PolarHBondContact O-N 3.31Å; F280-I300 HydrophobicContact CD1-CG2 4.5Å; F280-I300 HydrophobicContact CE1-CB 4.05Å; F280-I300 HydrophobicContact CE1-CG2 3.48Å; F280-I300 VanDerWaalsContact CE1-CG2 3.48Å; F280-I300 HydrophobicContact CZ-CG2 3.98Å; F280-E301 HydrophobicContact CD1-CB 4.39Å; F280-E301 HydrophobicContact CD2-CB 3.73Å; F280-E301 HydrophobicContact CD2-CG 3.67Å; F280-E301 HydrophobicContact CE2-CB 3.93Å; F280-E301 HydrophobicContact CE2-CG 3.96Å; F280-E301 HydrophobicContact CG-CB 3.98Å; F280-E301 HydrophobicContact CG-CG 4.32Å; F280-E301 HydrophobicContact CZ-CB 4.35Å; F280-F304 HydrophobicContact CE2-CB 4.06Å; F280-F304 AromaticContact CE2-CD1 3.81Å; F280-F304 HydrophobicContact CE2-CD1 3.81Å; F280-F304 HydrophobicContact CE2-CE1 4.49Å; F280-F304 AromaticContact CE2-CG 3.97Å; F280-F304 HydrophobicContact CE2-CG 3.97Å; F280-F304 HydrophobicContact CZ-CB 3.89Å; F280-F304 HydrophobicContact CZ-CD1 4.45Å; F280-F304 HydrophobicContact CZ-CG 4.15Å
281N86.3Confident86.2Confident58 Ų5852.8 Ų52.831%0.3128%0.28SS..Hα-helixtrans-70.8-27.3-179.4-68.7-28.9000112.5A277 R284 R285A277-N281 VanDerWaalsContact O-CB 3.27Å; A277-N281 WeakPolarHBondContact O-CB 3.37Å; A277-N281 VanDerWaalsContact O-CG 3.3Å; A277-N281 PolarHBondContact O-N 3.35Å; A277-N281 PolarHBondContact O-ND2 3.27Å; N281-R284 PolarHBondContact O-N 3.47Å; N281-R284 PolarHBondContact OD1-NH1 2.76Å; N281-R284 VanDerWaalsContact OD1-NH1 3.09Å; N281-R285 WeakPolarHBondContact O-CB 3.34Å; N281-R285 VanDerWaalsContact O-CG 3.24Å; N281-R285 WeakPolarHBondContact O-CG 3.47Å; N281-R285 PolarHBondContact O-N 3.24Å; N281-R285 PolarHBondContact O-NE 3.16Å
282G85Confident86.7Confident3 Ų352.8 Ų52.83%0.03129%0.286CS..Hα-helixtrans-64.5-42.4171.200000112.2K278 V279 F280 R285 R286K278-G282 PolarHBondContact O-N 3.38Å; V279-G282 PolarHBondContact O-N 2.99Å; F280-G282 VanDerWaalsContact C-N 3.31Å; F280-G282 PolarHBondContact O-N 3.19Å; G282-R285 PolarHBondContact O-N 3.38Å; G282-R286 WeakPolarHBondContact O-CB 3.48Å; G282-R286 PolarHBondContact O-N 3.25Å
283V86.3Confident86.8Confident5 Ų554.5 Ų54.53%0.0329%0.294CS..Hα-helixtrans-64.3-45.7172.71740000111.1P231 F232 V279 F280 R285 R286 Y287 E293 A297P231-V283 HydrophobicContact CB-CG1 4.15Å; P231-V283 HydrophobicContact CB-CG2 4.43Å; F232-V283 HydrophobicContact CD1-CG2 3.6Å; F232-V283 HydrophobicContact CE1-CB 3.76Å; F232-V283 HydrophobicContact CE1-CG1 4.29Å; F232-V283 HydrophobicContact CE1-CG2 3.23Å; F232-V283 HydrophobicContact CZ-CB 4.19Å; F232-V283 HydrophobicContact CZ-CG1 4.27Å; F232-V283 HydrophobicContact CZ-CG2 3.99Å; V279-V283 PolarHBondContact O-N 3.43Å; F280-V283 PolarHBondContact O-N 2.89Å; V283-R285 VanDerWaalsContact C-N 3.28Å; V283-R285 PolarHBondContact O-N 3.11Å; V283-R286 PolarHBondContact O-N 2.64Å; V283-Y287 HydrophobicContact CG1-CD2 3.75Å; V283-Y287 HydrophobicContact CG1-CE2 4.18Å; V283-Y287 VanDerWaalsContact O-CD2 3.28Å; V283-Y287 WeakPolarHBondContact O-CD2 3.21Å; V283-Y287 PolarHBondContact O-N 2.93Å; V283-E293 HydrophobicContact CG1-CB 4.04Å; V283-E293 WeakPolarHBondContact CG1-O 3.46Å; V283-A297 HydrophobicContact CB-CB 4.39Å; V283-A297 HydrophobicContact CG1-CB 4.15Å
284R87.9Confident87Confident32 Ų3255.1 Ų55.112%0.12129%0.292CS..Hα-helixtrans-64-28.4177-69-179.5-175.2123.12.4114.8F280 N281 Y287 F294 A297 N298 E301F280-R284 WeakPolarHBondContact O-CG 3.46Å; F280-R284 PolarHBondContact O-N 3.31Å; N281-R284 PolarHBondContact O-N 3.47Å; N281-R284 PolarHBondContact OD1-NH1 2.76Å; N281-R284 VanDerWaalsContact OD1-NH1 3.09Å; R284-Y287 CarbonylContact C-O 3.47Å; R284-F294 HydrophobicContact CB-CD2 3.75Å; R284-F294 HydrophobicContact CB-CE2 3.55Å; R284-F294 HydrophobicContact CB-CZ 4.42Å; R284-F294 HydrophobicContact CG-CD2 3.69Å; R284-F294 HydrophobicContact CG-CE2 3.55Å; R284-F294 HydrophobicContact CG-CG 4.29Å; R284-F294 HydrophobicContact CG-CZ 4.05Å; R284-A297 HydrophobicContact CG-CB 3.99Å; R284-N298 PolarHBondContact NE-OD1 3Å; R284-N298 PolarHBondContact NH2-OD1 3.09Å; R284-E301 IonicContact CZ-OE1 3.72Å; R284-E301 IonicContact CZ-OE2 2.64Å; R284-E301 VanDerWaalsContact CZ-OE2 3.31Å; R284-E301 VanDerWaalsContact NH1-CD 3.35Å; R284-E301 IonicContact NH1-OE1 2.65Å; R284-E301 PolarHBondContact NH1-OE1 3.09Å; R284-E301 IonicContact NH1-OE2 3.78Å; R284-E301 PolarHBondContact NH1-OE2 3.45Å; R284-E301 VanDerWaalsContact NH2-CD 3.32Å; R284-E301 IonicContact NH2-OE1 2.93Å; R284-E301 IonicContact NH2-OE2 3.2Å; R284-E301 PolarHBondContact NH2-OE2 2.83Å
285R85.1Confident87.3Confident184 Ų18456.6 Ų56.669%0.69430%0.295SS*.Hα-helixtrans-78.5-35.7174.7-77-176.4-62.7-178.26.8111.6N281 G282 V283N281-R285 WeakPolarHBondContact O-CB 3.34Å; N281-R285 VanDerWaalsContact O-CG 3.24Å; N281-R285 WeakPolarHBondContact O-CG 3.47Å; N281-R285 PolarHBondContact O-N 3.24Å; N281-R285 PolarHBondContact O-NE 3.16Å; G282-R285 PolarHBondContact O-N 3.38Å; V283-R285 VanDerWaalsContact C-N 3.28Å; V283-R285 PolarHBondContact O-N 3.11Å
286R83.7Confident87.7Confident106 Ų10654.8 Ų54.840%0.429%0.285SS..Hα-helixtrans-70.9-40.8178.2-175.8179.8-64.2167.3-1.2112.1Y244 G282 V283Y244-R286 PolarHBondContact OH-NH1 3.2Å; Y244-R286 VanDerWaalsContact OH-NH1 3.16Å; G282-R286 WeakPolarHBondContact O-CB 3.48Å; G282-R286 PolarHBondContact O-N 3.25Å; V283-R286 PolarHBondContact O-N 2.64Å
287Y85.5Confident87.7Confident52 Ų5254.8 Ų54.820%0.20429%0.285CS..SBendtrans-113.9130.6-176-58.2-82.8000109.9V283 R284 A291 E293 F294V283-Y287 HydrophobicContact CG1-CD2 3.75Å; V283-Y287 HydrophobicContact CG1-CE2 4.18Å; V283-Y287 VanDerWaalsContact O-CD2 3.28Å; V283-Y287 WeakPolarHBondContact O-CD2 3.21Å; V283-Y287 PolarHBondContact O-N 2.93Å; R284-Y287 CarbonylContact C-O 3.47Å; Y287-A291 HydrophobicContact CD1-CB 4.44Å; Y287-A291 HydrophobicContact CG-CB 4.48Å; Y287-E293 HydrophobicContact CD1-CB 3.9Å; Y287-E293 HydrophobicContact CD1-CG 3.81Å; Y287-E293 HydrophobicContact CD2-CB 3.4Å; Y287-E293 VanDerWaalsContact CD2-CB 3.4Å; Y287-E293 HydrophobicContact CD2-CG 3.87Å; Y287-E293 HydrophobicContact CE1-CB 4.21Å; Y287-E293 VanDerWaalsContact CE1-CD 3.46Å; Y287-E293 HydrophobicContact CE1-CG 3.67Å; Y287-E293 WeakPolarHBondContact CE1-OE1 3.41Å; Y287-E293 HydrophobicContact CE2-CB 3.76Å; Y287-E293 HydrophobicContact CE2-CG 3.74Å; Y287-E293 HydrophobicContact CG-CB 3.49Å; Y287-E293 VanDerWaalsContact CG-CB 3.49Å; Y287-E293 HydrophobicContact CG-CG 3.92Å; Y287-F294 WeakPolarHBondContact O-CD2 3.33Å
288G84.4Confident87.8Confident53 Ų5355.8 Ų55.855%0.54629%0.286SS..  trans-65.5168.817700000113.1N290 A291 F294G288-N290 PolarHBondContact O-N 3.01Å; G288-A291 VanDerWaalsContact O-CB 3.29Å; G288-A291 WeakPolarHBondContact O-CB 3.23Å; G288-A291 PolarHBondContact O-N 2.73Å; G288-F294 VanDerWaalsContact O-CB 3.28Å; G288-F294 WeakPolarHBondContact O-CB 3.47Å
289T87.3Confident88.2Confident86 Ų8653.9 Ų53.953%0.52828%0.283SS..THydrogen-bonded Turntrans-55.4-24.9-176.352.50000115F294 Q295T289-F294 HydrophobicContact CG2-CE1 4.33Å; T289-F294 HydrophobicContact CG2-CE2 4.05Å; T289-F294 HydrophobicContact CG2-CZ 3.94Å; T289-Q295 PolarHBondContact O-NE2 2.84Å
290N86.9Confident88.4Confident159 Ų15953.8 Ų53.885%0.8528%0.282SS*.THydrogen-bonded Turntrans-87.9-9.3-177.4-61-9.3000113.3G288G288-N290 PolarHBondContact O-N 3.01Å
291A89.7Confident88.6Confident25 Ų2556.3 Ų56.321%0.20729%0.294CS..SBendtrans-78.4146-178.400000111.2Y287 G288 E293 F294 Q295Y287-A291 HydrophobicContact CD1-CB 4.44Å; Y287-A291 HydrophobicContact CG-CB 4.48Å; G288-A291 VanDerWaalsContact O-CB 3.29Å; G288-A291 WeakPolarHBondContact O-CB 3.23Å; G288-A291 PolarHBondContact O-N 2.73Å; A291-E293 WeakPolarHBondContact CB-OE2 2.92Å; A291-E293 PolarHBondContact O-N 3.39Å; A291-F294 WeakPolarHBondContact O-CB 3.44Å; A291-F294 PolarHBondContact O-N 2.87Å; A291-Q295 PolarHBondContact O-N 3.48Å
292S90.8Very high88.8Confident70 Ų7056.3 Ų56.349%0.4930%0.302SS..Hα-helixtrans-65.1-28.5178.2600000111.5Q295 C296S292-Q295 PolarHBondContact O-N 2.91Å; S292-C296 PolarHBondContact O-N 3.44Å; S292-C296 PolarHBondContact O-SG 2.76Å
293E90.4Very high89.1Confident35 Ų3558.3 Ų58.316%0.16431%0.312CS..Hα-helixtrans-63.9-39.4174.5-63.189.1160.500112.5W230 P231 V283 Y287 A291 Q295 C296 A297W230-E293 HydrophobicContact CH2-CG 3.4Å; W230-E293 VanDerWaalsContact CH2-CG 3.4Å; W230-E293 WeakPolarHBondContact CH2-OE1 3.46Å; W230-E293 HydrophobicContact CZ2-CG 4.1Å; W230-E293 HydrophobicContact CZ3-CG 3.86Å; P231-E293 HydrophobicContact CB-CB 4.28Å; P231-E293 HydrophobicContact CB-CG 4.21Å; P231-E293 HydrophobicContact CG-CB 4.19Å; P231-E293 HydrophobicContact CG-CG 4.1Å; V283-E293 HydrophobicContact CG1-CB 4.04Å; V283-E293 WeakPolarHBondContact CG1-O 3.46Å; Y287-E293 HydrophobicContact CD1-CB 3.9Å; Y287-E293 HydrophobicContact CD1-CG 3.81Å; Y287-E293 HydrophobicContact CD2-CB 3.4Å; Y287-E293 VanDerWaalsContact CD2-CB 3.4Å; Y287-E293 HydrophobicContact CD2-CG 3.87Å; Y287-E293 HydrophobicContact CE1-CB 4.21Å; Y287-E293 VanDerWaalsContact CE1-CD 3.46Å; Y287-E293 HydrophobicContact CE1-CG 3.67Å; Y287-E293 WeakPolarHBondContact CE1-OE1 3.41Å; Y287-E293 HydrophobicContact CE2-CB 3.76Å; Y287-E293 HydrophobicContact CE2-CG 3.74Å; Y287-E293 HydrophobicContact CG-CB 3.49Å; Y287-E293 VanDerWaalsContact CG-CB 3.49Å; Y287-E293 HydrophobicContact CG-CG 3.92Å; A291-E293 WeakPolarHBondContact CB-OE2 2.92Å; A291-E293 PolarHBondContact O-N 3.39Å; E293-Q295 VanDerWaalsContact C-N 3.32Å; E293-C296 WeakPolarHBondContact O-CB 3.48Å; E293-C296 PolarHBondContact O-N 3.48Å; E293-A297 PolarHBondContact O-N 3.15Å
294F90.2Very high89.4Confident37 Ų3758.7 Ų58.716%0.16231%0.313CS..Hα-helixtrans-63.5-43.3174.8-172.3-78.3000110.3R284 Y287 G288 T289 A291 A297 N298R284-F294 HydrophobicContact CB-CD2 3.75Å; R284-F294 HydrophobicContact CB-CE2 3.55Å; R284-F294 HydrophobicContact CB-CZ 4.42Å; R284-F294 HydrophobicContact CG-CD2 3.69Å; R284-F294 HydrophobicContact CG-CE2 3.55Å; R284-F294 HydrophobicContact CG-CG 4.29Å; R284-F294 HydrophobicContact CG-CZ 4.05Å; Y287-F294 WeakPolarHBondContact O-CD2 3.33Å; G288-F294 VanDerWaalsContact O-CB 3.28Å; G288-F294 WeakPolarHBondContact O-CB 3.47Å; T289-F294 HydrophobicContact CG2-CE1 4.33Å; T289-F294 HydrophobicContact CG2-CE2 4.05Å; T289-F294 HydrophobicContact CG2-CZ 3.94Å; A291-F294 WeakPolarHBondContact O-CB 3.44Å; A291-F294 PolarHBondContact O-N 2.87Å; F294-A297 WeakPolarHBondContact O-CB 3.42Å; F294-A297 PolarHBondContact O-N 3.07Å; F294-N298 WeakPolarHBondContact CE1-ND2 3.28Å; F294-N298 PolarHBondContact O-N 3.39Å
295Q91.5Very high89.4Confident101 Ų10159.6 Ų59.647%0.47232%0.322SS..Hα-helixtrans-65.7-39.2176.3-60.1-56.7-30.300111.8T289 A291 S292 E293 A297 N298 V299T289-Q295 PolarHBondContact O-NE2 2.84Å; A291-Q295 PolarHBondContact O-N 3.48Å; S292-Q295 PolarHBondContact O-N 2.91Å; E293-Q295 VanDerWaalsContact C-N 3.32Å; Q295-A297 VanDerWaalsContact C-N 3.28Å; Q295-A297 PolarHBondContact O-N 3.43Å; Q295-N298 PolarHBondContact O-N 3.17Å; Q295-V299 WeakPolarHBondContact O-CG2 3.44Å; Q295-V299 PolarHBondContact O-N 2.86Å
296C91.7Very high89.5Confident5 Ų557.1 Ų57.13%0.03432%0.319CS..Hα-helixtrans-58-41.2172.4-70.20000111.5M228 W230 P231 S292 E293 N298 V299 I300M228-C296 HydrophobicContact CB-CB 4.25Å; M228-C296 WeakPolarHBondContact O-CB 3.42Å; W230-C296 PolarHBondContact NE1-SG 2.9Å; P231-C296 HydrophobicContact CG-CB 3.76Å; S292-C296 PolarHBondContact O-N 3.44Å; S292-C296 PolarHBondContact O-SG 2.76Å; E293-C296 WeakPolarHBondContact O-CB 3.48Å; E293-C296 PolarHBondContact O-N 3.48Å; C296-N298 VanDerWaalsContact C-N 3.35Å; C296-N298 PolarHBondContact O-N 3.5Å; C296-V299 PolarHBondContact O-N 2.82Å; C296-I300 VanDerWaalsContact O-CG1 3.31Å; C296-I300 WeakPolarHBondContact O-CG1 3.43Å; C296-I300 PolarHBondContact O-N 2.91Å
297A90Very high89.7Confident0 Ų055.5 Ų55.50%031%0.314CS..Hα-helixtrans-61.1-41.2175.800000113.5F232 V283 R284 E293 F294 Q295 V299 E301F232-A297 HydrophobicContact CE1-CB 4.49Å; F232-A297 HydrophobicContact CZ-CB 3.73Å; V283-A297 HydrophobicContact CB-CB 4.39Å; V283-A297 HydrophobicContact CG1-CB 4.15Å; R284-A297 HydrophobicContact CG-CB 3.99Å; E293-A297 PolarHBondContact O-N 3.15Å; F294-A297 WeakPolarHBondContact O-CB 3.42Å; F294-A297 PolarHBondContact O-N 3.07Å; Q295-A297 VanDerWaalsContact C-N 3.28Å; Q295-A297 PolarHBondContact O-N 3.43Å; A297-V299 PolarHBondContact O-N 2.85Å; A297-E301 WeakPolarHBondContact O-CB 3.36Å; A297-E301 PolarHBondContact O-N 3.07Å
298N90.5Very high89.8Confident55 Ų5553.4 Ų53.429%0.29431%0.307SS..Hα-helixtrans-63.9-41.7176-61.3-20.5000111.9R284 F294 Q295 C296 A302R284-N298 PolarHBondContact NE-OD1 3Å; R284-N298 PolarHBondContact NH2-OD1 3.09Å; F294-N298 WeakPolarHBondContact CE1-ND2 3.28Å; F294-N298 PolarHBondContact O-N 3.39Å; Q295-N298 PolarHBondContact O-N 3.17Å; C296-N298 VanDerWaalsContact C-N 3.35Å; C296-N298 PolarHBondContact O-N 3.5Å; N298-A302 WeakPolarHBondContact O-CB 3.46Å; N298-A302 PolarHBondContact O-N 3.48Å
299V93.1Very high89.6Confident63 Ų6358.9 Ų58.938%0.38231%0.311SS..Hα-helixtrans-65.3-48.4178.4174.30000111.3M228 Q295 C296 A297 A302 L303M228-V299 HydrophobicContact CB-CG1 4.42Å; M228-V299 HydrophobicContact CG-CG1 4.35Å; Q295-V299 WeakPolarHBondContact O-CG2 3.44Å; Q295-V299 PolarHBondContact O-N 2.86Å; C296-V299 PolarHBondContact O-N 2.82Å; A297-V299 PolarHBondContact O-N 2.85Å; V299-A302 PolarHBondContact O-N 2.97Å; V299-L303 HydrophobicContact CG1-CD1 4.27Å; V299-L303 WeakPolarHBondContact O-CG 3.37Å; V299-L303 PolarHBondContact O-N 3.35Å; V299-L303 VanDerWaalsContact O-N 3.12Å
300I92.8Very high89.2Confident0 Ų058.7 Ų58.70%031%0.313CS..Hα-helixtrans-68.5-38.2-178.7-59.6-61.9000111.1L223 H226 M228 F232 F280 C296 A302 L303 F304L223-I300 HydrophobicContact CB-CG2 4.35Å; L223-I300 HydrophobicContact CD1-CG2 4.5Å; L223-I300 HydrophobicContact CD2-CG2 3.95Å; L223-I300 HydrophobicContact CG-CG2 4.48Å; H226-I300 HydrophobicContact CB-CD1 3.87Å; H226-I300 WeakPolarHBondContact ND1-CD1 3.42Å; M228-I300 HydrophobicContact CB-CD1 4.19Å; M228-I300 HydrophobicContact CB-CG1 4.48Å; F232-I300 HydrophobicContact CD2-CG1 4.17Å; F232-I300 HydrophobicContact CE2-CB 4.01Å; F232-I300 HydrophobicContact CE2-CG1 3.75Å; F232-I300 HydrophobicContact CE2-CG2 4.38Å; F280-I300 HydrophobicContact CD1-CG2 4.5Å; F280-I300 HydrophobicContact CE1-CB 4.05Å; F280-I300 HydrophobicContact CE1-CG2 3.48Å; F280-I300 VanDerWaalsContact CE1-CG2 3.48Å; F280-I300 HydrophobicContact CZ-CG2 3.98Å; C296-I300 VanDerWaalsContact O-CG1 3.31Å; C296-I300 WeakPolarHBondContact O-CG1 3.43Å; C296-I300 PolarHBondContact O-N 2.91Å; I300-A302 VanDerWaalsContact C-N 3.35Å; I300-A302 PolarHBondContact O-N 3.4Å; I300-L303 HydrophobicContact CD1-CD1 4.43Å; I300-L303 PolarHBondContact O-N 3.12Å; I300-F304 VanDerWaalsContact O-CB 3.31Å; I300-F304 WeakPolarHBondContact O-CB 3.43Å; I300-F304 PolarHBondContact O-N 3.24Å
301E92Very high88.7Confident53 Ų5351.8 Ų51.825%0.24828%0.276CS..Hα-helixtrans-65-37.4176.1-174.6-178.3-115.300112.3F280 R284 A297 F304 T305F280-E301 HydrophobicContact CD1-CB 4.39Å; F280-E301 HydrophobicContact CD2-CB 3.73Å; F280-E301 HydrophobicContact CD2-CG 3.67Å; F280-E301 HydrophobicContact CE2-CB 3.93Å; F280-E301 HydrophobicContact CE2-CG 3.96Å; F280-E301 HydrophobicContact CG-CB 3.98Å; F280-E301 HydrophobicContact CG-CG 4.32Å; F280-E301 HydrophobicContact CZ-CB 4.35Å; R284-E301 IonicContact CZ-OE1 3.72Å; R284-E301 IonicContact CZ-OE2 2.64Å; R284-E301 VanDerWaalsContact CZ-OE2 3.31Å; R284-E301 VanDerWaalsContact NH1-CD 3.35Å; R284-E301 IonicContact NH1-OE1 2.65Å; R284-E301 PolarHBondContact NH1-OE1 3.09Å; R284-E301 IonicContact NH1-OE2 3.78Å; R284-E301 PolarHBondContact NH1-OE2 3.45Å; R284-E301 VanDerWaalsContact NH2-CD 3.32Å; R284-E301 IonicContact NH2-OE1 2.93Å; R284-E301 IonicContact NH2-OE2 3.2Å; R284-E301 PolarHBondContact NH2-OE2 2.83Å; A297-E301 WeakPolarHBondContact O-CB 3.36Å; A297-E301 PolarHBondContact O-N 3.07Å; E301-F304 WeakPolarHBondContact O-CB 3.31Å; E301-F304 PolarHBondContact O-N 2.67Å; E301-T305 WeakPolarHBondContact O-CB 3.18Å; E301-T305 PolarHBondContact O-N 3.4Å; E301-T305 PolarHBondContact O-OG1 2.92Å
302A90.1Very high87.6Confident59 Ų5952.6 Ų52.649%0.48828%0.275SS..Hα-helixtrans-63.3-47174.500000111.4N298 V299 I300 F304 T305 E306N298-A302 WeakPolarHBondContact O-CB 3.46Å; N298-A302 PolarHBondContact O-N 3.48Å; V299-A302 PolarHBondContact O-N 2.97Å; I300-A302 VanDerWaalsContact C-N 3.35Å; I300-A302 PolarHBondContact O-N 3.4Å; A302-F304 VanDerWaalsContact C-N 3.35Å; A302-F304 PolarHBondContact O-N 3.49Å; A302-T305 PolarHBondContact O-N 3.1Å; A302-E306 PolarHBondContact O-N 2.9Å
303L91.5Very high85.8Confident44 Ų4453.7 Ų53.723%0.2328%0.279CS..Hα-helixtrans-62-41.6175.6-69.6172.8000112.2L223 H226 V299 I300 E306 K307L223-L303 HydrophobicContact CD2-CB 3.93Å; H226-L303 WeakPolarHBondContact NE2-CD1 3.4Å; V299-L303 HydrophobicContact CG1-CD1 4.27Å; V299-L303 WeakPolarHBondContact O-CG 3.37Å; V299-L303 PolarHBondContact O-N 3.35Å; V299-L303 VanDerWaalsContact O-N 3.12Å; I300-L303 HydrophobicContact CD1-CD1 4.43Å; I300-L303 PolarHBondContact O-N 3.12Å; L303-E306 PolarHBondContact O-N 2.99Å; L303-K307 PolarHBondContact O-N 2.79Å
304F92.5Very high83.3Confident13 Ų1356.4 Ų56.46%0.05729%0.294CS..Hα-helixtrans-57.5-49173.8166.8-108.4000111.1L219 L223 F272 A273 M276 F280 I300 E301 A302 E306 K307 L308L219-F304 HydrophobicContact CD1-CD2 4.46Å; L219-F304 HydrophobicContact CD2-CD2 3.8Å; L219-F304 HydrophobicContact CD2-CE2 4.05Å; L223-F304 HydrophobicContact CD1-CB 3.9Å; L223-F304 HydrophobicContact CD1-CD2 3.93Å; L223-F304 HydrophobicContact CD1-CG 4.38Å; L223-F304 HydrophobicContact CD2-CB 4.31Å; F272-F304 HydrophobicContact CD1-CE2 4.44Å; F272-F304 AromaticContact CE1-CE2 3.56Å; F272-F304 HydrophobicContact CE1-CE2 3.56Å; F272-F304 HydrophobicContact CE1-CZ 4.08Å; F272-F304 AromaticContact CZ-CE2 3.99Å; F272-F304 HydrophobicContact CZ-CE2 3.99Å; A273-F304 HydrophobicContact CB-CZ 4.46Å; M276-F304 HydrophobicContact CB-CE1 4.04Å; M276-F304 HydrophobicContact CB-CE2 3.95Å; M276-F304 HydrophobicContact CB-CZ 3.64Å; M276-F304 HydrophobicContact CE-CB 4.49Å; M276-F304 HydrophobicContact CE-CD2 3.45Å; M276-F304 VanDerWaalsContact CE-CD2 3.45Å; M276-F304 HydrophobicContact CE-CE2 3.73Å; M276-F304 HydrophobicContact CE-CG 4Å; M276-F304 HydrophobicContact CG-CD2 4.35Å; M276-F304 HydrophobicContact CG-CE2 3.65Å; M276-F304 HydrophobicContact CG-CZ 3.81Å; M276-F304 HydrophobicContact SD-CE2 4.49Å; F280-F304 HydrophobicContact CE2-CB 4.06Å; F280-F304 AromaticContact CE2-CD1 3.81Å; F280-F304 HydrophobicContact CE2-CD1 3.81Å; F280-F304 HydrophobicContact CE2-CE1 4.49Å; F280-F304 AromaticContact CE2-CG 3.97Å; F280-F304 HydrophobicContact CE2-CG 3.97Å; F280-F304 HydrophobicContact CZ-CB 3.89Å; F280-F304 HydrophobicContact CZ-CD1 4.45Å; F280-F304 HydrophobicContact CZ-CG 4.15Å; I300-F304 VanDerWaalsContact O-CB 3.31Å; I300-F304 WeakPolarHBondContact O-CB 3.43Å; I300-F304 PolarHBondContact O-N 3.24Å; E301-F304 WeakPolarHBondContact O-CB 3.31Å; E301-F304 PolarHBondContact O-N 2.67Å; A302-F304 VanDerWaalsContact C-N 3.35Å; A302-F304 PolarHBondContact O-N 3.49Å; F304-E306 VanDerWaalsContact C-N 3.33Å; F304-E306 PolarHBondContact O-N 3.2Å; F304-K307 PolarHBondContact O-N 2.65Å; F304-L308 HydrophobicContact CE1-CD2 4.06Å; F304-L308 HydrophobicContact CE2-CD1 4.43Å; F304-L308 HydrophobicContact CE2-CD2 4.46Å; F304-L308 HydrophobicContact CZ-CD1 4.43Å; F304-L308 HydrophobicContact CZ-CD2 3.78Å; F304-L308 HydrophobicContact CZ-CG 4.48Å; F304-L308 VanDerWaalsContact O-CB 3.23Å; F304-L308 WeakPolarHBondContact O-CB 3.42Å; F304-L308 PolarHBondContact O-N 3.2Å
305T87.5Confident80.5Confident52 Ų5259.4 Ų59.432%0.31932%0.317SS..Hα-helixtrans-63.1-40.9-178.6-58.80000111.4E301 A302 R309E301-T305 WeakPolarHBondContact O-CB 3.18Å; E301-T305 PolarHBondContact O-N 3.4Å; E301-T305 PolarHBondContact O-OG1 2.92Å; A302-T305 PolarHBondContact O-N 3.1Å; T305-R309 WeakPolarHBondContact O-CG 3.5Å; T305-R309 PolarHBondContact O-N 3.32Å
306E87.7Confident77.5Confident132 Ų13263.3 Ų63.362%0.61733%0.332SS*.Hα-helixtrans-62.1-51.1175.3-175.8179.7-179.700111.8A302 L303 F304 L308 R309A302-E306 PolarHBondContact O-N 2.9Å; L303-E306 PolarHBondContact O-N 2.99Å; F304-E306 VanDerWaalsContact C-N 3.33Å; F304-E306 PolarHBondContact O-N 3.2Å; E306-L308 VanDerWaalsContact C-N 3.35Å; E306-L308 PolarHBondContact O-N 3.21Å; E306-R309 PolarHBondContact O-N 3.38Å
307K88.4Confident74.4Confident72 Ų7270.3 Ų70.331%0.31337%0.369SS..Hα-helixtrans-65.9-35.2178.4-72.9-178178.4-80.80112.6L219 D222 L303 F304 R309 S310 I311L219-K307 HydrophobicContact CD1-CB 3.73Å; L219-K307 HydrophobicContact CG-CB 3.92Å; L219-K307 HydrophobicContact CG-CD 4.42Å; D222-K307 HydrophobicContact CB-CD 4.18Å; D222-K307 WeakPolarHBondContact OD2-CE 3.39Å; D222-K307 IonicContact OD2-NZ 3.08Å; D222-K307 PolarHBondContact OD2-NZ 2.98Å; L303-K307 PolarHBondContact O-N 2.79Å; F304-K307 PolarHBondContact O-N 2.65Å; K307-R309 VanDerWaalsContact C-N 3.29Å; K307-R309 PolarHBondContact O-N 2.93Å; K307-S310 PolarHBondContact O-N 2.93Å; K307-S310 PolarHBondContact O-OG 3.26Å; K307-I311 PolarHBondContact O-N 3.45Å
308L86.8Confident71.4Confident8 Ų874.6 Ų74.64%0.04240%0.397CS..Hα-helixtrans-66.6-33.3178.4-169.169.5000111.7L219 L269 F272 A273 F304 E306 S310 I311 K312L219-L308 HydrophobicContact CD1-CB 4.33Å; L219-L308 HydrophobicContact CD1-CD1 4.34Å; L269-L308 HydrophobicContact CD2-CD1 4.18Å; F272-L308 HydrophobicContact CD1-CD1 4.26Å; F272-L308 HydrophobicContact CE1-CD1 4.09Å; A273-L308 HydrophobicContact CB-CD2 4.37Å; F304-L308 HydrophobicContact CE1-CD2 4.06Å; F304-L308 HydrophobicContact CE2-CD1 4.43Å; F304-L308 HydrophobicContact CE2-CD2 4.46Å; F304-L308 HydrophobicContact CZ-CD1 4.43Å; F304-L308 HydrophobicContact CZ-CD2 3.78Å; F304-L308 HydrophobicContact CZ-CG 4.48Å; F304-L308 VanDerWaalsContact O-CB 3.23Å; F304-L308 WeakPolarHBondContact O-CB 3.42Å; F304-L308 PolarHBondContact O-N 3.2Å; E306-L308 VanDerWaalsContact C-N 3.35Å; E306-L308 PolarHBondContact O-N 3.21Å; L308-S310 VanDerWaalsContact C-N 3.34Å; L308-I311 PolarHBondContact O-N 3.18Å; L308-K312 HydrophobicContact CG-CD 4.36Å; L308-K312 WeakPolarHBondContact O-CG 3.29Å; L308-K312 PolarHBondContact O-N 2.97Å; L308-K312 VanDerWaalsContact O-N 3.11Å
309R80.5Confident68.1Low167 Ų16777 Ų7763%0.6342%0.418SS*.Hα-helixtrans-63.1-39.7175-73.2174.1-166.4165.34.9111.8T305 E306 K307 I311 K312 V313T305-R309 WeakPolarHBondContact O-CG 3.5Å; T305-R309 PolarHBondContact O-N 3.32Å; E306-R309 PolarHBondContact O-N 3.38Å; K307-R309 VanDerWaalsContact C-N 3.29Å; K307-R309 PolarHBondContact O-N 2.93Å; R309-I311 PolarHBondContact O-N 3.07Å; R309-K312 PolarHBondContact O-N 3.19Å; R309-V313 WeakPolarHBondContact O-CG2 3.28Å; R309-V313 PolarHBondContact O-N 2.91Å
310S78.1Confident65Low83 Ų8382 Ų8258%0.5844%0.441SS*.Hα-helixtrans-66.8-26.9178.872.20000112.8K307 L308K307-S310 PolarHBondContact O-N 2.93Å; K307-S310 PolarHBondContact O-OG 3.26Å; L308-S310 VanDerWaalsContact C-N 3.34Å
311I77.5Confident61.7Low14 Ų1490.5 Ų90.57%0.07248%0.481CS..Hα-helixtrans-76.4-40.1174.9-59.5178.1000111.6K215 L216 L219 L269 K307 L308 R309 V313K215-I311 HydrophobicContact CB-CD1 3.81Å; K215-I311 HydrophobicContact CB-CG1 3.96Å; K215-I311 HydrophobicContact CB-CG2 4.25Å; K215-I311 HydrophobicContact CD-CG1 4.35Å; K215-I311 HydrophobicContact CD-CG2 4.04Å; L216-I311 HydrophobicContact CD2-CD1 4.05Å; L219-I311 HydrophobicContact CB-CD1 4.1Å; L219-I311 HydrophobicContact CD1-CD1 3.53Å; L219-I311 HydrophobicContact CG-CD1 4.47Å; L269-I311 HydrophobicContact CD2-CG2 4.46Å; K307-I311 PolarHBondContact O-N 3.45Å; L308-I311 PolarHBondContact O-N 3.18Å; R309-I311 PolarHBondContact O-N 3.07Å; I311-V313 PolarHBondContact O-N 3.25Å
312K66.2Low58.4Low41 Ų4193.3 Ų93.318%0.17851%0.507CS..Hα-helixtrans-64-19.4179.4-74.4170.8175.7176.70113.4M204 L269 L308 R309 L314M204-K312 VanDerWaalsContact CE-NZ 3.27Å; M204-K312 HydrophobicContact CG-CD 4.48Å; M204-K312 PolarHBondContact SD-NZ 3.07Å; L269-K312 HydrophobicContact CD1-CG 3.9Å; L308-K312 HydrophobicContact CG-CD 4.36Å; L308-K312 WeakPolarHBondContact O-CG 3.29Å; L308-K312 PolarHBondContact O-N 2.97Å; L308-K312 VanDerWaalsContact O-N 3.11Å; R309-K312 PolarHBondContact O-N 3.19Å; K312-L314 PolarHBondContact O-N 3.05Å
313V53.4Low55.3Low94 Ų9496.7 Ų96.757%0.5752%0.521SS*.SBendtrans-78.899.4174.3-177.30000109.3R309 I311R309-V313 WeakPolarHBondContact O-CG2 3.28Å; R309-V313 PolarHBondContact O-N 2.91Å; I311-V313 PolarHBondContact O-N 3.25Å
314L36.9Very low52.1Low91 Ų9199.7 Ų99.748%0.47655%0.546SS..  trans-50.5138.7166-69.4171.4000110.1K312K312-L314 PolarHBondContact O-N 3.05Å
315P32.3Very low48.8Very low100 Ų100108.6 Ų108.665%0.64959%0.585SS**  trans-70.7134.6-167.929.1-33.4000112.3
316F28.2Very low45.8Very low183 Ų183114.7 Ų114.780%0.80361%0.607SS**  trans57.5123.7152.7-89.2-100000120
317L26.8Very low42.8Very low152 Ų152116.2 Ų116.280%0.79662%0.616SS**  -146.9147.198.1-88.1175.5000110
318P25.9Very low39.9Very low90 Ų90121.2 Ų121.258%0.58464%0.638SS**  trans-86.8170.7-163.236-34.2000113.6
319S22.9Very low37.2Very low106 Ų106126.8 Ų126.874%0.74167%0.672SS**  trans73.782.3166.564.40000118.5
320L26.2Very low34.7Very low167 Ų167127.4 Ų127.487%0.87468%0.68SS**  trans-127.995.9130.3-78.1177.8000107.7
321Q23.5Very low32.4Very low179 Ų179129.5 Ų129.584%0.83669%0.685SS**  trans-55.6139.5159.6-72.5175.7-51.100108.1
322S23.2Very low30.4Very low113 Ų113138.9 Ų138.979%0.7973%0.725SS**  trans68.480.2167.770.50000117.6
323V25.7Very low29Very low130 Ų130140.9 Ų140.979%0.78874%0.744SS**  trans-130.998.1141.5-169.20000107.9F325V323-F325 PolarHBondContact O-N 3.19Å
324S22.9Very low28.1Very low107 Ų107143.8 Ų143.875%0.74876%0.756SS**  trans-55.3118.3172.3-178.10000109.2K326S324-K326 PolarHBondContact O-N 2.83Å
325F24.4Very low27.9Very low199 Ų199145.4 Ų145.487%0.87377%0.774SS**  trans-65.186.9170.5-124.2-96.5000108V323 M327V323-F325 PolarHBondContact O-N 3.19Å; F325-M327 VanDerWaalsContact C-N 3.25Å; F325-M327 PolarHBondContact O-N 2.97Å
326K25.1Very low27.9Very low181 Ų181146.4 Ų146.479%0.78778%0.78SS**  trans-69.892.9161.9-99.6178.2177.4171.60106.7S324 K328S324-K326 PolarHBondContact O-N 2.83Å; K326-K328 PolarHBondContact O-N 3.43Å
327M24.7Very low28.5Very low164 Ų164146 Ų14681%0.80878%0.782SS**  trans-59.389.9162.5-138.9163.79200106.6F325 T329F325-M327 VanDerWaalsContact C-N 3.25Å; F325-M327 PolarHBondContact O-N 2.97Å; M327-T329 VanDerWaalsContact C-N 3.34Å; M327-T329 PolarHBondContact O-N 3.22Å
328K26.8Very low29.1Very low176 Ų176145.9 Ų145.977%0.76578%0.781SS**  trans-72.298.7168.7-81.6-176178.3178.80106.2K326 F330K326-K328 PolarHBondContact O-N 3.43Å; K328-F330 PolarHBondContact O-N 2.83Å; K328-F330 VanDerWaalsContact O-N 3.07Å
329T29Very low29.4Very low125 Ų125146 Ų14677%0.76778%0.783SS**  trans-52.4109.3158.747.40000107.2M327 D331M327-T329 VanDerWaalsContact C-N 3.34Å; M327-T329 PolarHBondContact O-N 3.22Å; T329-D331 PolarHBondContact O-N 2.88Å
330F27.9Very low30.1Very low181 Ų181148.4 Ų148.479%0.79479%0.788SS**  trans-77.1118.6173.1-125.8-93.2000107.8K328 F332K328-F330 PolarHBondContact O-N 2.83Å; K328-F330 VanDerWaalsContact O-N 3.07Å; F330-F332 PolarHBondContact O-N 2.99Å
331D30.7Very low31.1Very low127 Ų127147.5 Ų147.568%0.67978%0.782SS**  trans-69.1112.8176.1-146.1-44.9000108.2T329 S333T329-D331 PolarHBondContact O-N 2.88Å; D331-S333 PolarHBondContact O-N 2.99Å; D331-S333 VanDerWaalsContact O-N 3.09Å; D331-S333 PolarHBondContact OD1-OG 3.18Å
332F34.7Very low31.7Very low211 Ų211143.2 Ų143.293%0.92577%0.771SS**THydrogen-bonded Turntrans-79.421.3-174.4-112-88.8000113.2F330F330-F332 PolarHBondContact O-N 2.99Å
333S38.2Very low32.3Very low82 Ų82142.2 Ų142.257%0.57378%0.778SS**THydrogen-bonded Turntrans-95.90.2-170.351.80000115.2D331D331-S333 PolarHBondContact O-N 2.99Å; D331-S333 VanDerWaalsContact O-N 3.09Å; D331-S333 PolarHBondContact OD1-OG 3.18Å
334L35Very low32.7Very low155 Ų155143.3 Ų143.381%0.81278%0.779SS**SBendtrans-140.875.6-171.6-77.3153.6000113.2
335C32.5Very low33.2Very low126 Ų126147.2 Ų147.285%0.85178%0.783SS**  trans-178.4110.3143.9-103.10000112.1
336P32.3Very low33.8Very low120 Ų120143.7 Ų143.778%0.77978%0.778SS**  trans-98.697.4166.833.5-21.2000108.9
337M39.7Very low34.4Very low174 Ų174139.5 Ų139.586%0.85777%0.769SS**  trans-157.496.1165.4-82-48.8-14400112.1
338I39.1Very low34.9Very low151 Ų151137.4 Ų137.477%0.77477%0.77SS**  trans8112144.7-55.5166.5000116.3
339C32.6Very low35.3Very low93 Ų93135.9 Ų135.963%0.62877%0.771SS**  trans-92.1118.2160.8-178.80000109.1I341C339-I341 PolarHBondContact O-N 3.27Å
340N37.8Very low35.6Very low156 Ų156136.5 Ų136.583%0.83477%0.774SS**  trans-99.535.7-172.5-146.1-2.6000112.6
341I46.8Very low35.7Very low147 Ų147138.7 Ų138.775%0.75478%0.777SS**SBendtrans-120.2-17.9-169.4-63179000113.2C339C339-I341 PolarHBondContact O-N 3.27Å
342C37Very low35.6Very low89 Ų89138 Ų13860%0.60178%0.782SS**  trans-133.8104.4176.149.90000109.6L344C342-L344 PolarHBondContact O-N 3.09Å
343G35.1Very low35.5Very low92 Ų92133.3 Ų133.395%0.94877%0.771SS**  trans-68.647.5-179.100000115
344L34.9Very low35.2Very low153 Ų153139.7 Ų139.780%0.80179%0.788SS**  trans-104.5113.6175.9-77.3166000110.4C342C342-L344 PolarHBondContact O-N 3.09Å
345F32.4Very low35.3Very low190 Ų190140.1 Ų140.183%0.83379%0.786SS**  trans-74.2115.8179.7-155.9-99.3000109.8
346V37.6Very low35.3Very low125 Ų125140 Ų14076%0.75878%0.782SS**  trans-97.6119.5168.4-178.90000108.1
347P38.1Very low35.1Very low92 Ų92141.7 Ų141.760%0.59778%0.783SS**  trans-69.9141.6-175.325.8-32000112.7N349P347-N349 PolarHBondContact O-N 3.31Å
348S34.5Very low34.7Very low121 Ų121138.2 Ų138.285%0.84677%0.772SS**SBendtrans-71.530.3-165.1-34.50000117
349N35.2Very low34.3Very low144 Ų144136.5 Ų136.577%0.7776%0.763SS**  trans-141.636.9-166.9-136.5-1.8000117.3P347P347-N349 PolarHBondContact O-N 3.31Å
350V34.8Very low34.2Very low137 Ų137139.6 Ų139.683%0.8377%0.766SS**  trans-106.598.8172.1-1740000110.3
351R31.4Very low33.8Very low227 Ų227140.9 Ų140.986%0.85776%0.764SS**  trans-76.9122.2168.6-83.3179.7175.8-176.1-1.5109.9
352S29.1Very low33.1Very low114 Ų114142.2 Ų142.280%0.79777%0.765SS**  trans38.788.3141.51790000117.8
353T32.7Very low32.8Very low111 Ų111145.7 Ų145.768%0.68178%0.777SS**  trans-143.9141.2140.444.50000108.9E355T353-E355 PolarHBondContact O-N 3.27Å
354K31.3Very low32.8Very low217 Ų217145.8 Ų145.894%0.94377%0.769SS**  trans-68.476.3178.1-68.4174.6176.6175.70109.4
355E36.9Very low32.5Very low163 Ų163142.1 Ų142.176%0.76277%0.767SS**  trans-131.7126.8175.8-71.1-173.1163.100110.9T353 L357T353-E355 PolarHBondContact O-N 3.27Å; E355-L357 PolarHBondContact O-N 3.34Å
356T32.6Very low32.7Very low124 Ų124141.8 Ų141.876%0.76177%0.769SS**  trans-55110.5-172-43.60000111.9V358T356-V358 HydrophobicContact CG2-CG2 3.43Å; T356-V358 VanDerWaalsContact CG2-CG2 3.43Å; T356-V358 PolarHBondContact O-N 3.13Å
357L28.4Very low32.4Very low155 Ų155142.6 Ų142.681%0.81277%0.774SS**  trans-71.582.1160-96.7160.4000108.6E355 I359E355-L357 PolarHBondContact O-N 3.34Å; L357-I359 VanDerWaalsContact C-N 3.27Å; L357-I359 HydrophobicContact CB-CG1 4.48Å; L357-I359 HydrophobicContact CD2-CD1 4.38Å; L357-I359 HydrophobicContact CD2-CG1 4.01Å; L357-I359 PolarHBondContact O-N 2.84Å; L357-I359 VanDerWaalsContact O-N 3.11Å
358V30.7Very low32.1Very low102 Ų102142.7 Ų142.762%0.61878%0.783SS**  trans-76.286.3162.4-176.10000106.7T356 F360T356-V358 HydrophobicContact CG2-CG2 3.43Å; T356-V358 VanDerWaalsContact CG2-CG2 3.43Å; T356-V358 PolarHBondContact O-N 3.13Å; V358-F360 PolarHBondContact O-N 3.31Å
359I30.9Very low32.1Very low115 Ų115141.2 Ų141.259%0.5978%0.778SS**  trans-75.1109.7170.5-60.8178.1000107.3L357 F361L357-I359 VanDerWaalsContact C-N 3.27Å; L357-I359 HydrophobicContact CB-CG1 4.48Å; L357-I359 HydrophobicContact CD2-CD1 4.38Å; L357-I359 HydrophobicContact CD2-CG1 4.01Å; L357-I359 PolarHBondContact O-N 2.84Å; L357-I359 VanDerWaalsContact O-N 3.11Å; I359-F361 HydrophobicContact CG2-CD2 3.73Å; I359-F361 HydrophobicContact CG2-CE2 3.58Å; I359-F361 PolarHBondContact O-N 3.41Å; I359-F361 VanDerWaalsContact O-N 3.17Å
360F29.3Very low31.9Very low157 Ų157144.6 Ų144.669%0.68978%0.781SS**  trans-57.2108.6170.1-83.2-101.3000110.5V358V358-F360 PolarHBondContact O-N 3.31Å
361F30.5Very low31.6Very low183 Ų183146 Ų14680%0.80378%0.783SS**  trans-120.873.6159.5-85-79.8000108.6I359I359-F361 HydrophobicContact CG2-CD2 3.73Å; I359-F361 HydrophobicContact CG2-CE2 3.58Å; I359-F361 PolarHBondContact O-N 3.41Å; I359-F361 VanDerWaalsContact O-N 3.17Å
362F31Very low31.7Very low175 Ų175139.2 Ų139.277%0.76877%0.769SS**  trans-135.3123162-105.9-95.8000105.8
363L30.6Very low31.8Very low163 Ų163144.3 Ų144.385%0.85377%0.77SS**SBendtrans88.969.1-179.1-46.9177.2000116.8
364A35.6Very low31.6Very low94 Ų94145.2 Ų145.278%0.77777%0.77SS**  trans-161.7120.3133.700000106.7E366A364-E366 PolarHBondContact O-N 3.49Å
365G28.4Very low31.4Very low75 Ų75141.1 Ų141.177%0.77377%0.768SS**  trans-61.9129.3166.100000108.1
366E37.8Very low31.1Very low184 Ų184138.8 Ų138.886%0.8676%0.764SS**  trans-165.1131.1150.6-110.6161.8-155.200111A364 A368A364-E366 PolarHBondContact O-N 3.49Å; E366-A368 PolarHBondContact O-N 3.05Å
367T30.3Very low31Very low142 Ų142141.4 Ų141.487%0.87177%0.768SS**  trans-53.5105.2171.746.90000111.4
368A32Very low31Very low94 Ų94139.1 Ų139.178%0.77777%0.771SS**  trans-138.924.717100000113.8E366E366-A368 PolarHBondContact O-N 3.05Å
369A33.7Very low31Very low90 Ų90142.2 Ų142.274%0.74478%0.779SS**SBendtrans-120.743175.200000111.9
370Y32.4Very low30.9Very low214 Ų214144 Ų14484%0.83979%0.79SS**  trans-153.774.4165.8-88.5-84.8000108.5P372Y370-P372 VanDerWaalsContact C-CD 3.46Å; Y370-P372 WeakPolarHBondContact O-CD 3.49Å
371L28.9Very low31.1Very low166 Ų166141.5 Ų141.587%0.86979%0.791SS**  trans-109.588.9162.6-83.3172.5000109.2
372P32.3Very low31Very low86 Ų86144 Ų14456%0.55880%0.795SS**  trans-81.9122.1158.632.5-25.2000108.3Y370 L374Y370-P372 VanDerWaalsContact C-CD 3.46Å; Y370-P372 WeakPolarHBondContact O-CD 3.49Å; P372-L374 PolarHBondContact O-N 2.83Å
373R30.6Very low30.9Very low220 Ų220145 Ų14583%0.8380%0.799SS**SBendtrans22.472.9143.7-64.1-178.3165.9-171.9-4.1117
374L28.9Very low30.9Very low130 Ų130144.8 Ų144.868%0.68179%0.792SS**  trans-142.780.8165.3-84.4168.1000109.5P372P372-L374 PolarHBondContact O-N 2.83Å
375C27.2Very low30.6Very low131 Ų131147.3 Ų147.389%0.88579%0.788SS**  trans-134.659.6166.2-157.60000108.4
376V31.3Very low30.5Very low115 Ų115153.8 Ų153.870%0.69779%0.789SS**SBendtrans-154.7129.2163.7-172.30000106.8
377H29.6Very low30Very low179 Ų179151.5 Ų151.583%0.82978%0.783SS**  trans79.971.7174.8-68.8-52.8000119.3
378A28.5Very low29.9Very low106 Ų106151.2 Ų151.288%0.87678%0.781SS**  trans-129.869.1147.700000109.4
379Q31.1Very low29.8Very low168 Ų168154.1 Ų154.179%0.78578%0.782SS**  trans-142.5135.4164.6-79.6-176.5-14.600107.1
380N29.8Very low29.4Very low153 Ų153157 Ų15782%0.81878%0.784SS**  trans87.489.3-177.4-56.9-19.7000114.1
381S31.6Very low29.1Very low103 Ų103155 Ų15572%0.7279%0.785SS**  95.1102.591.6630000109.5
382R28.7Very low29Very low235 Ų235153.5 Ų153.589%0.88778%0.778SS**  37.4114.397.3-69-168.8-173.5-167.73111.9
383F29.9Very low29.1Very low196 Ų196160.9 Ų160.986%0.8681%0.812SS**  trans156.8105142.6-101.4-96.4000107.4
384F29.4Very low29Very low159 Ų159157.9 Ų157.970%0.69781%0.811SS**  67.2100.998.8-110.8-103.2000111.7
385E30Very low29Very low148 Ų148159.4 Ų159.469%0.69282%0.818SS**  76.4136.8104.3-79.7-159.7149.900114.3
386R26.5Very low29.1Very low210 Ų210160.9 Ų160.979%0.79281%0.814SS**  trans0.1131.9160.3-68.5169.5173.3151-3.7115.5
387N28Very low29Very low136 Ų136163.6 Ų163.673%0.72782%0.821SS**  -173.8129.8111.6-85.9-38.9000111.2L389N387-L389 HydrophobicContact CB-CD1 4.47Å; N387-L389 HydrophobicContact CB-CG 4.06Å; N387-L389 PolarHBondContact O-N 2.81Å
388V27.2Very low29Very low137 Ų137162.7 Ų162.783%0.8382%0.821SS**  trans-54.7116.7147.3170.20000106.3
389L30.9Very low29Very low154 Ų154166.5 Ų166.581%0.80682%0.817SS**  trans-129.4102.4167.1-75.8174.2000108.2N387N387-L389 HydrophobicContact CB-CD1 4.47Å; N387-L389 HydrophobicContact CB-CG 4.06Å; N387-L389 PolarHBondContact O-N 2.81Å
390L24.6Very low28.8Very low151 Ų151166.4 Ų166.479%0.79182%0.82SS**  trans-74.8127.4144-70.1163.3000105.9
391M26.6Very low28.8Very low172 Ų172167.4 Ų167.485%0.84782%0.82SS**  trans163.3114140.2-91.1-177.4168.300112.3
392N26.7Very low28.5Very low135 Ų135172.8 Ų172.872%0.72283%0.828SS**  trans36.6106.8133.5-55.5-18.9000119.4
393D33.9Very low28.5Very low240 Ų240167.1 Ų167.1100%1.28382%0.823SS**  -160.6092.8-95-26.4000110.3

Retrieved 393 of 393 residues in 256.8 ms (Link to these results)