A0A068BIU7_MOUSE Loading...

Putative WD repeat domain 46 isoform 1

AlphaFold DB , UniProt , Accession A0A068BIU7, Species MOUSE (Mus musculus, Mouse), Gene Wdr46, Length 578 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
1M46.2Very low40Very low246 Ų246153.1 Ų153.1100%1.21288%0.882SS**  095.50-85-179.4172.700107.2
2E35.6Very low40.1Very low198 Ų198149.2 Ų149.293%0.92587%0.866SS**  trans-156.1126.2161.8-110.5177.1-177.400105.6
3T38.2Very low40.1Very low140 Ų140147.2 Ų147.286%0.85986%0.86SS**PPolyproline II helixtrans-87.5129.8-160.943.30000111.7
4A38.2Very low40Very low93 Ų93150.7 Ų150.777%0.76986%0.86SS**PPolyproline II helixtrans-66.7141.2172.100000112.1
5P41.4Very low39.9Very low126 Ų126156.7 Ų156.782%0.81886%0.863SS**PPolyproline II helixtrans-81.4141.6174.630.9-31000112.2
6K42.4Very low40Very low202 Ų202156.7 Ų156.788%0.87886%0.862SS**PPolyproline II helixtrans-66.3147.9177.6-67.6172.9177.1173.90112
7P42.4Very low39.8Very low130 Ų130158.4 Ų158.484%0.84486%0.859SS**PPolyproline II helixtrans-79.5132.3173.831.2-31.3000111.7
8G39.2Very low39.5Very low79 Ų79156.6 Ų156.681%0.81486%0.856SS**PPolyproline II helixtrans-71.3140175.400000113
9R39.3Very low39.4Very low257 Ų257158 Ų15897%0.9786%0.856SS**PPolyproline II helixtrans-73.1146.1171.4-73.2179.9176.9-157.2-1.4111.1
10G37.7Very low39.4Very low75 Ų75154.4 Ų154.477%0.77385%0.849SS**  trans112.764.6146.200000117.1
11V40Very low39.5Very low138 Ų138156.7 Ų156.784%0.83685%0.85SS**  trans-107.2124.9154.4-176.70000106.6
12P41.3Very low40Very low106 Ų106152.1 Ų152.169%0.68882%0.82SS**PPolyproline II helixtrans-65.3141.7177.627.2-31.8000109.3K14P12-K14 PolarHBondContact O-N 3.17Å; P12-K14 VanDerWaalsContact O-N 3.15Å
13P40.1Very low41.2Very low123 Ų123149.3 Ų149.380%0.79981%0.805SS**PPolyproline II helixtrans-61.2123.817725.2-31.6000108.6R15P13-R15 PolarHBondContact O-N 3.09Å; P13-R15 VanDerWaalsContact O-N 3.08Å
14K38.4Very low42.6Very low197 Ų197149.3 Ų149.386%0.85779%0.792SS**PPolyproline II helixtrans-53.3119.6166.1-80.4177.2175.8173.90106.3P12 D16P12-K14 PolarHBondContact O-N 3.17Å; P12-K14 VanDerWaalsContact O-N 3.15Å; K14-D16 PolarHBondContact O-N 2.88Å
15R38.1Very low43.9Very low240 Ų240146.5 Ų146.591%0.90677%0.766SS**  trans-49.6111.8168.5-82.2176.9167.4178-4.7107.5P13 K17P13-R15 PolarHBondContact O-N 3.09Å; P13-R15 VanDerWaalsContact O-N 3.08Å; R15-K17 PolarHBondContact O-N 3.16Å
16D41.9Very low45.1Very low157 Ų157147.8 Ų147.884%0.8476%0.755SS**  trans-55.7108.5166.5-73.2-40.8000106.7K14K14-D16 PolarHBondContact O-N 2.88Å
17K36Very low46.6Very low186 Ų186142.4 Ų142.481%0.80973%0.729SS**  trans-55.7131.9163.9-72.7-179.6176.5-178.60105.4R15 Q19R15-K17 PolarHBondContact O-N 3.16Å; K17-Q19 PolarHBondContact O-N 2.93Å
18P35.4Very low47.2Very low125 Ų125145.2 Ų145.281%0.81272%0.724SS**  trans-58.2108.7173.424.3-31.1000106.4A20P18-A20 VanDerWaalsContact C-N 3.28Å; P18-A20 PolarHBondContact O-N 3.45Å
19Q36.6Very low48.2Very low184 Ų184148.2 Ų148.286%0.8671%0.711SS**  trans-61.2105.4162.4-76.3-175.2-4.200103.9K17 K21K17-Q19 PolarHBondContact O-N 2.93Å; Q19-K21 PolarHBondContact O-N 2.96Å
20A38.9Very low49Very low86 Ų86141 Ų14171%0.71169%0.689SS**  trans-48116168.600000105.8P18 R22P18-A20 VanDerWaalsContact C-N 3.28Å; P18-A20 PolarHBondContact O-N 3.45Å; A20-R22 PolarHBondContact O-N 3.36Å
21K43.4Very low49.5Very low202 Ų202145.7 Ų145.788%0.87869%0.69SS**  trans-55.6109.8179-73.3-176.4178.5-179.60105.8Q19 K23Q19-K21 PolarHBondContact O-N 2.96Å; K21-K23 PolarHBondContact O-N 3.25Å
22R55.9Low49.6Very low150 Ų150145.8 Ų145.857%0.56668%0.682SS**PPolyproline II helixtrans-61.7124-179.6-62.5176.381.8-169.53106.1A20 K24 K169A20-R22 PolarHBondContact O-N 3.36Å; R22-K24 PolarHBondContact O-N 3.09Å; R22-K169 PolarHBondContact NH2-O 3.38Å
23K61.5Low49.1Very low140 Ų140147.4 Ų147.461%0.60969%0.689SS**PPolyproline II helixtrans-64.3130.3174.4-72.2-173.8-173.5170.20107.5K21 E162 E165K21-K23 PolarHBondContact O-N 3.25Å; K23-E162 IonicContact NZ-OE2 2.89Å; K23-E162 PolarHBondContact NZ-OE2 3.13Å; K23-E165 WeakPolarHBondContact CD-OE1 3.39Å; K23-E165 IonicContact NZ-OE1 3.37Å
24K67.2Low48.6Very low139 Ų139146.5 Ų146.560%0.60468%0.682SS**PPolyproline II helixtrans-71.2140174-66-168.7176.1-155.10108.3R22 R26 E177R22-K24 PolarHBondContact O-N 3.09Å; K24-R26 PolarHBondContact O-N 2.82Å; K24-E177 IonicContact NZ-OE2 3.92Å; K24-E177 PolarHBondContact NZ-OE2 3Å
25P65.4Low48.4Very low34 Ų34143.6 Ų143.622%0.22168%0.683CS.*PPolyproline II helixtrans-56.9126.4173.721.1-28.9000109.1D174 A178P25-D174 HydrophobicContact CG-CB 3.82Å; P25-D174 WeakPolarHBondContact CG-O 3.26Å; P25-A178 HydrophobicContact CB-CB 4.41Å; P25-A178 HydrophobicContact CG-CB 3.99Å
26R67.1Low47.9Very low154 Ų154136.4 Ų136.458%0.58168%0.675SS**PPolyproline II helixtrans-78.6144.6-177-78.9177.3150.1-173.7-12.7110.9K24 E32 E162K24-R26 PolarHBondContact O-N 2.82Å; R26-E32 IonicContact CZ-OE1 2.81Å; R26-E32 IonicContact NH2-OE1 3.76Å; R26-E32 PolarHBondContact NH2-OE1 3.46Å; R26-E162 IonicContact NH1-OE1 3.07Å
27R72.3Confident47.4Very low88 Ų88133.8 Ų133.833%0.33268%0.675SS.*PPolyproline II helixtrans-79.9143.6172.6-67.4174.9171.4171.52.1109.7W29 E30 E177 A178R27-W29 HydrophobicContact CB-CD2 4.35Å; R27-W29 HydrophobicContact CB-CZ2 4.25Å; R27-W29 HydrophobicContact CG-CZ2 4.23Å; R27-W29 PolarHBondContact O-N 3.07Å; R27-W29 VanDerWaalsContact O-N 3.14Å; R27-E30 HydrophobicContact CB-CB 4.37Å; R27-E30 HydrophobicContact CB-CG 3.97Å; R27-E30 WeakPolarHBondContact CD-OE1 3.41Å; R27-E30 PolarHBondContact O-N 3.38Å; R27-E30 VanDerWaalsContact O-N 3.1Å; R27-E177 PolarHBondContact NH2-O 2.8Å; R27-A178 WeakPolarHBondContact CG-O 3.49Å; R27-A178 PolarHBondContact NE-O 3.5Å
28Y56.3Low47.4Very low189 Ų189131.6 Ų131.674%0.74168%0.677SS**THydrogen-bonded Turntrans-66.5-17.8-175.676.7-101.2000114.2
29W58.9Low47.1Very low142 Ų142130.5 Ų130.554%0.53868%0.678SS.*THydrogen-bonded Turntrans-100.71.4177.158.874.5000113.8R27 E31R27-W29 HydrophobicContact CB-CD2 4.35Å; R27-W29 HydrophobicContact CB-CZ2 4.25Å; R27-W29 HydrophobicContact CG-CZ2 4.23Å; R27-W29 PolarHBondContact O-N 3.07Å; R27-W29 VanDerWaalsContact O-N 3.14Å; W29-E31 PolarHBondContact O-N 3.39Å; W29-E31 VanDerWaalsContact O-N 3.14Å
30E56.8Low46.9Very low107 Ų107126.1 Ų126.150%0.567%0.674SS.*  trans-85.264170.2-73.8175176.100109.1R27R27-E30 HydrophobicContact CB-CB 4.37Å; R27-E30 HydrophobicContact CB-CG 3.97Å; R27-E30 WeakPolarHBondContact CD-OE1 3.41Å; R27-E30 PolarHBondContact O-N 3.38Å; R27-E30 VanDerWaalsContact O-N 3.1Å
31E47.2Very low46.5Very low173 Ų173127.6 Ų127.681%0.80868%0.679SS**  trans-71136.8164.1-75.2-169.2163.200109.6W29 T33W29-E31 PolarHBondContact O-N 3.39Å; W29-E31 VanDerWaalsContact O-N 3.14Å; E31-T33 PolarHBondContact O-N 2.78Å; E31-T33 VanDerWaalsContact O-N 3.14Å
32E42.5Very low46.3Very low140 Ų140124.2 Ų124.265%0.65468%0.677SS**  trans-63.5113.4171.4-72179-171.700108.9R26 T34R26-E32 IonicContact CZ-OE1 2.81Å; R26-E32 IonicContact NH2-OE1 3.76Å; R26-E32 PolarHBondContact NH2-OE1 3.46Å; E32-T34 PolarHBondContact O-N 3.18Å
33T30.8Very low45.2Very low139 Ų139120.3 Ų120.385%0.85368%0.684SS**  trans-61.38916346.70000108.4E31E31-T33 PolarHBondContact O-N 2.78Å; E31-T33 VanDerWaalsContact O-N 3.14Å
34T30.6Very low44.1Very low105 Ų105119.6 Ų119.664%0.64469%0.693SS**  trans-69.2126.5157.843.60000106.9E32 A36E32-T34 PolarHBondContact O-N 3.18Å; T34-A36 PolarHBondContact O-N 2.78Å
35P32.6Very low42.6Very low136 Ų136118.8 Ų118.888%0.88370%0.703SS**  trans-75.181.3176.829.8-31000108.3
36A29Very low41Very low88 Ų88129.1 Ų129.173%0.72774%0.737SS**PPolyproline II helixtrans-81.7130.1168.500000109T34T34-A36 PolarHBondContact O-N 2.78Å
37A30Very low39.3Very low102 Ų102131.8 Ų131.884%0.84375%0.753SS**PPolyproline II helixtrans-52.3141.3-169.600000114.8A39A37-A39 PolarHBondContact O-N 3.38Å
38V36.1Very low37.5Very low141 Ų141137.4 Ų137.486%0.85578%0.78SS**PPolyproline II helixtrans-54.9122.7170.6177.90000111.2
39A30.7Very low36.4Very low101 Ų101133 Ų13384%0.83578%0.782SS**  trans-140.185.7154.800000108.8A37A37-A39 PolarHBondContact O-N 3.38Å
40A31.8Very low35Very low93 Ų93137.5 Ų137.577%0.76980%0.799SS**  trans-81.4130.9174.700000110.4
41S31.3Very low33.7Very low117 Ų117138.5 Ų138.582%0.81881%0.813SS**  trans-110.6139.3158.7-720000109.4
42P37.3Very low33Very low130 Ų130133.7 Ų133.784%0.84481%0.809SS**PPolyproline II helixtrans-87.2129-162.432.8-32.7000112.8
43G33.7Very low32.4Very low68 Ų68136 Ų13670%0.70182%0.82SS**PPolyproline II helixtrans-80.4152.9165.300000112.2
44P37.8Very low32.3Very low125 Ų125134.5 Ų134.581%0.81282%0.815SS**PPolyproline II helixtrans-76.5160.6-172.831.2-34.5000113.4
45P36Very low32.4Very low123 Ų123141.1 Ų141.180%0.79983%0.828SS**PPolyproline II helixtrans-82.6138.1-159.831.8-33.9000113.8
46R33Very low32.5Very low251 Ų251140.3 Ų140.395%0.94782%0.823SS**PPolyproline II helixtrans-71.4120165.4-85.7177.8164.9177.7-3.8110.4
47K31.4Very low32.7Very low209 Ų209142.1 Ų142.191%0.90983%0.828SS**PPolyproline II helixtrans-79.1135.8167.6-77.1-174.6176.3179.90111.3
48K33.4Very low32.9Very low207 Ų207149.1 Ų149.190%0.983%0.832SS**PPolyproline II helixtrans-84.3141.4174.4-75.6-178.8175.4177.70112.2
49A33.7Very low32.6Very low95 Ų95148.1 Ų148.179%0.78583%0.831SS**  trans21.7131145.100000122.9
50R29.1Very low32.6Very low237 Ų237152.6 Ų152.689%0.89483%0.832SS**  trans165.4146.8133.2-94.6-178.7170.2177.5-3.6106.3
51T29.2Very low32.5Very low129 Ų129153.7 Ų153.779%0.79183%0.834SS**  cis-167.6155.421.65.80000106.2
52G32.2Very low32.4Very low71 Ų71152.8 Ų152.873%0.73283%0.834SS**  trans-72.2161179.800000114.8
53E30.6Very low32.2Very low190 Ų190155.1 Ų155.189%0.88883%0.833SS**  trans-168.2133.1140.6-111167.7-171.600113
54S29.3Very low32Very low107 Ų107159.9 Ų159.975%0.74884%0.841SS**  trans38.6117.5150.5600000122.8
55R31.6Very low31.5Very low243 Ų243158.1 Ų158.192%0.91784%0.837SS**PPolyproline II helixtrans-74.3138.5150.4-75.4176.4170.1173.3-2.4110.5
56P35.5Very low31.5Very low119 Ų119161.2 Ų161.277%0.77384%0.841SS**PPolyproline II helixtrans-89.1155.8160.833.9-27.8000111.4
57P34.1Very low31.5Very low127 Ų127159.2 Ų159.283%0.82584%0.839SS**PPolyproline II helixtrans-86.1156.9-165.934.7-34.3000113.3
58R32.4Very low31.7Very low248 Ų248154.5 Ų154.594%0.93683%0.832SS**PPolyproline II helixtrans-70.4126.8166.8-79.5175.9162176.4-5.7110
59S30Very low31.7Very low120 Ų120156.3 Ų156.384%0.83983%0.833SS**PPolyproline II helixtrans-98.1138.7159.456.30000110.7
60K31.1Very low31.9Very low195 Ų195161.8 Ų161.885%0.84884%0.84SS**PPolyproline II helixtrans-96.2146.4175.3-78.7176.9173.1177.50110.1
61S30Very low32.1Very low116 Ų116155.5 Ų155.581%0.81183%0.832SS**  trans62.9122.7146.958.90000120.8
62A29.8Very low32.6Very low99 Ų99158.5 Ų158.582%0.81883%0.834SS**  -166.515110700000111.8
63H31.7Very low32.6Very low179 Ų179164.1 Ų164.183%0.82984%0.839SS**  trans-58.5156.5-179.1-71.7-90.9000114.6
64I29.3Very low32.7Very low167 Ų167160.3 Ų160.386%0.85683%0.83SS**  174.4140.6117.8-87.4155.5000112.2
65A27.7Very low33.1Very low89 Ų89161.4 Ų161.474%0.73684%0.835SS**  trans74.2107.8155.200000121.2
66Q37.5Very low33.1Very low188 Ų188157.1 Ų157.188%0.87983%0.828SS**  trans-46.1133.3144.9-65.8178.7-3400111.7
67K31.8Very low33Very low208 Ų208156 Ų15690%0.90482%0.824SS**  trans-158117.2140.7-107.1165.1-167.8-178.90110.5
68S35.7Very low33.2Very low110 Ų110159.6 Ų159.677%0.76983%0.826SS**  trans-52.2135.216552.60000112.3
69R33.9Very low33.4Very low245 Ų245153.5 Ų153.593%0.92582%0.817SS**  trans-165.9103.5141.2-104.7163.7-168.8-165.23109.3S71R69-S71 PolarHBondContact O-N 2.88Å
70F36.3Very low33.8Very low211 Ų211151 Ų15193%0.92580%0.803SS**  trans-59.4109.8163.4-110-97.8000108.6
71S35Very low34.2Very low104 Ų104145.9 Ų145.973%0.72779%0.79SS**  trans-104.7110.3159.857.20000108.2R69 K73R69-S71 PolarHBondContact O-N 2.88Å; S71-K73 PolarHBondContact O-N 3.39Å; S71-K73 VanDerWaalsContact O-N 3.12Å
72K39Very low34.7Very low192 Ų192146.1 Ų146.184%0.83578%0.782SS**  trans-64.9108172.1-72.6178.6176.9176.50107.8
73K32.5Very low35.4Very low190 Ų190151.3 Ų151.383%0.82678%0.781SS**PPolyproline II helixtrans-67.6136.8162.1-71.2-176.4177.8-178.90108.2S71S71-K73 PolarHBondContact O-N 3.39Å; S71-K73 VanDerWaalsContact O-N 3.12Å
74P32.4Very low36.2Very low109 Ų109152 Ų15271%0.70878%0.781SS**PPolyproline II helixtrans-65.9151.2175.228.2-32.3000109.9I76P74-I76 PolarHBondContact O-N 3.26Å
75P37.2Very low36.9Very low130 Ų130152 Ų15284%0.84478%0.775SS**PPolyproline II helixtrans-68.2117.317827.9-30.6000108.8S77P75-S77 PolarHBondContact O-N 2.79Å; P75-S77 VanDerWaalsContact O-N 3.13Å
76I32.9Very low37.7Very low153 Ų153153.2 Ų153.279%0.78578%0.775SS**  trans-64.6112.4167-63.8166.4000106.1P74 K78P74-I76 PolarHBondContact O-N 3.26Å; I76-K78 PolarHBondContact O-N 3.21Å
77S32.5Very low38.4Very low97 Ų97152.8 Ų152.868%0.67877%0.774SS**  trans-60.2108.3169.454.50000108.1P75 T79P75-S77 PolarHBondContact O-N 2.79Å; P75-S77 VanDerWaalsContact O-N 3.13Å; S77-T79 PolarHBondContact O-N 2.88Å
78K38.2Very low39.3Very low201 Ų201154.6 Ų154.687%0.87478%0.775SS**  trans-7186.3168.2-68.3-177.1179.3-179.80107.8I76 A80I76-K78 PolarHBondContact O-N 3.21Å; K78-A80 PolarHBondContact O-N 3.48Å
79T37.6Very low40.2Very low121 Ų121152.2 Ų152.274%0.74276%0.756SS**PPolyproline II helixtrans-62.4128.1157.635.10000107.2S77S77-T79 PolarHBondContact O-N 2.88Å
80A37.6Very low41.4Very low66 Ų66149.9 Ų149.955%0.54576%0.76SS.*PPolyproline II helixtrans-56.9137.5176.100000109.1K78 D82 W83K78-A80 PolarHBondContact O-N 3.48Å; A80-D82 PolarHBondContact O-N 3.28Å; A80-W83 HydrophobicContact CB-CH2 3.66Å; A80-W83 HydrophobicContact CB-CZ2 4.35Å; A80-W83 HydrophobicContact CB-CZ3 4.28Å
81P39.9Very low42.9Very low89 Ų89144.3 Ų144.358%0.57875%0.748SS**PPolyproline II helixtrans-62.7126.7-179.625.3-32000109.4W83P81-W83 VanDerWaalsContact O-CE2 3.29Å; P81-W83 PolarHBondContact O-N 2.82Å
82D39.6Very low44.2Very low120 Ų120142.7 Ų142.764%0.64275%0.748SS**  trans-68.899-177.9-142.7-4.4000109.4A80 K84 K85A80-D82 PolarHBondContact O-N 3.28Å; D82-K84 PolarHBondContact O-N 3.46Å; D82-K85 PolarHBondContact O-N 2.78Å
83W45.9Very low45.6Very low209 Ų209136.3 Ų136.379%0.79273%0.731SS**THydrogen-bonded Turntrans-65.20.6-174.3-54.9-93.1000114.8A80 P81 K85A80-W83 HydrophobicContact CB-CH2 3.66Å; A80-W83 HydrophobicContact CB-CZ2 4.35Å; A80-W83 HydrophobicContact CB-CZ3 4.28Å; P81-W83 VanDerWaalsContact O-CE2 3.29Å; P81-W83 PolarHBondContact O-N 2.82Å; W83-K85 VanDerWaalsContact C-N 3.34Å
84K48Very low47.3Very low193 Ų193135.6 Ų135.684%0.83973%0.73SS**THydrogen-bonded Turntrans-82.1-4.4178.9-72.6-174.7177.2-179.40114.4D82D82-K84 PolarHBondContact O-N 3.46Å
85K43.9Very low49.2Very low167 Ų167134.8 Ų134.873%0.72672%0.72SS**SBendtrans-108.2125.8173.6-67.6-174.7-177.6-179.90110D82 W83 Q87D82-K85 PolarHBondContact O-N 2.78Å; W83-K85 VanDerWaalsContact C-N 3.34Å; K85-Q87 PolarHBondContact O-N 3.45Å; K85-Q87 VanDerWaalsContact O-N 3.07Å
86P44Very low51.2Low114 Ų114133.5 Ų133.574%0.7471%0.712SS**  trans-61.7116.5176.824.5-31.1000108.7R88P86-R88 PolarHBondContact O-N 3.42Å; P86-R88 VanDerWaalsContact O-N 3.11Å
87Q52.7Low53.3Low180 Ų180134.3 Ų134.384%0.84171%0.71SS**  trans-63.7114.8170.5-80.5-170.7-37.700107.5K85 T89K85-Q87 PolarHBondContact O-N 3.45Å; K85-Q87 VanDerWaalsContact O-N 3.07Å; Q87-T89 PolarHBondContact O-N 3.39Å
88R49.8Very low55.3Low246 Ų246135 Ų13593%0.92871%0.712SS**  trans-64.5107.5171.6-75.2-177.8168.9-177.5-3.8107.7P86P86-R88 PolarHBondContact O-N 3.42Å; P86-R88 VanDerWaalsContact O-N 3.11Å
89T55Low56.9Low60 Ų60128 Ų12837%0.36870%0.697SS.*  trans-61.5144.1168.3530000108.4Q87 S91 G92 A93Q87-T89 PolarHBondContact O-N 3.39Å; T89-S91 PolarHBondContact O-N 3.23Å; T89-G92 PolarHBondContact O-N 2.92Å; T89-A93 PolarHBondContact OG1-N 3.26Å; T89-A93 PolarHBondContact OG1-O 2.89Å
90L58.6Low58.5Low195 Ų195128.3 Ų128.3100%1.02170%0.701SS**THydrogen-bonded Turntrans-56.5-15.6178.8-79.5156.8000113.3
91S67.8Low60.1Low95 Ų95130.2 Ų130.266%0.66471%0.706SS**THydrogen-bonded Turntrans-97.6-4.4179.255.50000114.6T89 A93T89-S91 PolarHBondContact O-N 3.23Å; S91-A93 PolarHBondContact O-N 3.41Å
92G63.1Low61.9Low70 Ų70131.5 Ų131.572%0.72271%0.714SS**  trans66.9-0.7-174.500000114.9T89 Q94T89-G92 PolarHBondContact O-N 2.92Å; G92-Q94 PolarHBondContact O-N 2.94Å
93A68.1Low63.5Low58 Ų58127.7 Ų127.748%0.47970%0.699SS.*PPolyproline II helixtrans-76.5120.9176.500000109.7T89 S91 D95T89-A93 PolarHBondContact OG1-N 3.26Å; T89-A93 PolarHBondContact OG1-O 2.89Å; S91-A93 PolarHBondContact O-N 3.41Å; A93-D95 PolarHBondContact O-N 2.85Å
94Q67.8Low65.2Low175 Ų175119.4 Ų119.482%0.81867%0.672SS**PPolyproline II helixtrans-66.2130.5174.8-154.2158.919.400108.4G92 P96G92-Q94 PolarHBondContact O-N 2.94Å; Q94-P96 WeakPolarHBondContact O-CD 3.35Å; Q94-P96 VanDerWaalsContact O-N 3.17Å
95D74.1Confident66.7Low91 Ų91116.2 Ų116.249%0.48766%0.664SS.*PPolyproline II helixtrans-54.4120.9178.8-174.1-11.2000109A93 F97 P98A93-D95 PolarHBondContact O-N 2.85Å; D95-F97 PolarHBondContact O-N 3.24Å; D95-F97 VanDerWaalsContact O-N 3.15Å; D95-F97 PolarHBondContact OD1-N 2.9Å; D95-P98 WeakPolarHBondContact O-CD 3.13Å
96P79.1Confident68.5Low104 Ų104115.9 Ų115.968%0.67567%0.665SS**SBendtrans-62.8-16178.523.7-32.3000112.9Q94 P98Q94-P96 WeakPolarHBondContact O-CD 3.35Å; Q94-P96 VanDerWaalsContact O-N 3.17Å; P96-P98 VanDerWaalsContact C-CD 3.49Å; P96-P98 WeakPolarHBondContact O-CD 3.4Å
97F76.7Confident70.3Confident170 Ų170114.8 Ų114.875%0.74665%0.65SS**SBendtrans-124.869.3177.1-56.4-74.8000111.5D95 G99D95-F97 PolarHBondContact O-N 3.24Å; D95-F97 VanDerWaalsContact O-N 3.15Å; D95-F97 PolarHBondContact OD1-N 2.9Å; F97-G99 PolarHBondContact O-N 3.44Å
98P74.2Confident71.9Confident111 Ų111106.5 Ų106.572%0.72161%0.612SS**  trans-70.9117.9-177.729.6-31.7000110.5D95 P96D95-P98 WeakPolarHBondContact O-CD 3.13Å; P96-P98 VanDerWaalsContact C-CD 3.49Å; P96-P98 WeakPolarHBondContact O-CD 3.4Å
99G71.9Confident73.6Confident54 Ų54104 Ų10456%0.55760%0.603SS**SBendtrans140.7172.5175.200000113F97 V101F97-G99 PolarHBondContact O-N 3.44Å; G99-V101 PolarHBondContact O-N 3.25Å
100P69.8Low75.1Confident128 Ų128107.6 Ų107.683%0.83161%0.613SS**SBendtrans-63.6129.5170.427.3-31.8000109.3
101V72.6Confident76.5Confident106 Ų106100.9 Ų100.964%0.64258%0.576SS**PPolyproline II helixtrans-51.1126.8177.9-178.80000109.7G99 A103 R147G99-V101 PolarHBondContact O-N 3.25Å; V101-A103 PolarHBondContact O-N 3.4Å; V101-R147 PolarHBondContact O-NH2 2.83Å
102P77.3Confident77.4Confident115 Ų11598.5 Ų98.575%0.74756%0.559SS**PPolyproline II helixtrans-49.1134.9178.6-2834.5000111.6
103A73.5Confident78.4Confident41 Ų41103.5 Ų103.534%0.33956%0.556SS.*PPolyproline II helixtrans-80.9129.5178.400000109.7V101 L105 V143V101-A103 PolarHBondContact O-N 3.4Å; A103-L105 VanDerWaalsContact C-N 3.29Å; A103-L105 HydrophobicContact CB-CD2 4.36Å; A103-L105 PolarHBondContact O-N 2.68Å; A103-V143 HydrophobicContact CB-CG1 3.84Å; A103-V143 HydrophobicContact CB-CG2 4.28Å
104P80.7Confident79Confident35 Ų35103.7 Ų103.723%0.22755%0.548CS..  trans-74.584.617431.2-34.4000109.5E106 E107 A108 A146 R147P104-E106 VanDerWaalsContact C-N 3.32Å; P104-E106 PolarHBondContact O-N 2.85Å; P104-E107 HydrophobicContact CB-CB 4.18Å; P104-E107 HydrophobicContact CB-CG 4.39Å; P104-E107 WeakPolarHBondContact CB-OE2 3.38Å; P104-A108 VanDerWaalsContact O-CB 3.25Å; P104-A108 WeakPolarHBondContact O-CB 3.41Å; P104-A108 PolarHBondContact O-N 3.35Å; P104-A146 HydrophobicContact CG-CB 3.84Å; P104-R147 HydrophobicContact CG-CG 4.39Å
105L79.3Confident79.5Confident125 Ų12599.8 Ų99.865%0.65453%0.533SS*.Hα-helixtrans-65.8-32.8-173-69174.7000113.1A103 R109A103-L105 VanDerWaalsContact C-N 3.29Å; A103-L105 HydrophobicContact CB-CD2 4.36Å; A103-L105 PolarHBondContact O-N 2.68Å; L105-R109 WeakPolarHBondContact O-CG 3.26Å; L105-R109 PolarHBondContact O-N 2.94Å
106E81.9Confident79.5Confident161 Ų161101.4 Ų101.475%0.75254%0.535SS*.Hα-helixtrans-71.7-46.4179.6-63.3-168.9162.500111.5P104 A108 R109P104-E106 VanDerWaalsContact C-N 3.32Å; P104-E106 PolarHBondContact O-N 2.85Å; E106-A108 VanDerWaalsContact C-N 3.34Å; E106-A108 PolarHBondContact O-N 2.84Å; E106-R109 WeakPolarHBondContact O-CB 3.35Å; E106-R109 PolarHBondContact O-N 3.34Å
107E82.3Confident79.2Confident90 Ų90101.4 Ų101.442%0.42154%0.538SS..Hα-helixtrans-66-37.3175.5-62.4170.9-178.600111.4P104 R109 K110 A146P104-E107 HydrophobicContact CB-CB 4.18Å; P104-E107 HydrophobicContact CB-CG 4.39Å; P104-E107 WeakPolarHBondContact CB-OE2 3.38Å; E107-R109 PolarHBondContact O-N 3.35Å; E107-R109 VanDerWaalsContact O-N 3.15Å; E107-K110 WeakPolarHBondContact O-CB 3.46Å; E107-K110 PolarHBondContact O-N 3.48Å; E107-A146 HydrophobicContact CB-CB 4Å
108A86.1Confident79Confident7 Ų7100.1 Ų100.16%0.05853%0.532CS..Hα-helixtrans-59.7-27176.400000113.1P104 E106 K110 F111 C112 V143 A146P104-A108 VanDerWaalsContact O-CB 3.25Å; P104-A108 WeakPolarHBondContact O-CB 3.41Å; P104-A108 PolarHBondContact O-N 3.35Å; E106-A108 VanDerWaalsContact C-N 3.34Å; E106-A108 PolarHBondContact O-N 2.84Å; A108-K110 PolarHBondContact O-N 3.01Å; A108-F111 PolarHBondContact O-N 2.84Å; A108-F111 VanDerWaalsContact O-N 3.13Å; A108-C112 PolarHBondContact O-N 3.31Å; A108-V143 HydrophobicContact CB-CG2 4.17Å; A108-A146 HydrophobicContact CB-CB 4.27Å
109R85.7Confident79Confident193 Ų193100.5 Ų100.573%0.72853%0.533SS*.Hα-helixtrans-62-31.1175.2-68.9173.1179.8179.81.2112.5L105 E106 E107 F111 C112L105-R109 WeakPolarHBondContact O-CG 3.26Å; L105-R109 PolarHBondContact O-N 2.94Å; E106-R109 WeakPolarHBondContact O-CB 3.35Å; E106-R109 PolarHBondContact O-N 3.34Å; E107-R109 PolarHBondContact O-N 3.35Å; E107-R109 VanDerWaalsContact O-N 3.15Å; R109-F111 VanDerWaalsContact C-N 3.26Å; R109-F111 PolarHBondContact O-N 3.14Å; R109-C112 PolarHBondContact O-N 2.91Å
110K85.8Confident78.9Confident136 Ų136103.3 Ų103.359%0.59153%0.534SS*.Hα-helixtrans-62.1-36.8176.2-175.4-174.9174.4-171.80111.7E107 A108 E149E107-K110 WeakPolarHBondContact O-CB 3.46Å; E107-K110 PolarHBondContact O-N 3.48Å; A108-K110 PolarHBondContact O-N 3.01Å; K110-E149 IonicContact NZ-OE1 2.68Å; K110-E149 PolarHBondContact NZ-OE1 3.25Å
111F89.2Confident78.7Confident54 Ų54102.2 Ų102.224%0.23753%0.527CS..Hα-helixtrans-92.5-16.3-177.6-62-74.1000113.5A108 R109 R113 A145 A146 E149A108-F111 PolarHBondContact O-N 2.84Å; A108-F111 VanDerWaalsContact O-N 3.13Å; R109-F111 VanDerWaalsContact C-N 3.26Å; R109-F111 PolarHBondContact O-N 3.14Å; F111-R113 PolarHBondContact O-N 2.99Å; F111-A145 HydrophobicContact CB-CB 4.11Å; F111-A145 HydrophobicContact CD1-CB 3.84Å; F111-A145 HydrophobicContact CD2-CB 4.18Å; F111-A145 HydrophobicContact CE1-CB 4.27Å; F111-A145 HydrophobicContact CG-CB 3.76Å; F111-A146 HydrophobicContact CD2-CB 4Å; F111-A146 HydrophobicContact CE2-CB 4.13Å; F111-E149 VanDerWaalsContact CE2-CD 3.48Å; F111-E149 HydrophobicContact CE2-CG 3.86Å; F111-E149 VanDerWaalsContact CZ-CD 3.41Å; F111-E149 HydrophobicContact CZ-CG 3.64Å; F111-E149 WeakPolarHBondContact CZ-OE1 3.33Å
112C86.6Confident78.4Confident44 Ų44106.5 Ų106.530%0.29754%0.54SS..  trans-66.5125.9176.7-169.80000110.6A108 R109A108-C112 PolarHBondContact O-N 3.31Å; R109-C112 PolarHBondContact O-N 2.91Å
113R84.1Confident78.4Confident175 Ų175102.4 Ų102.466%0.6651%0.514SS*.  trans-110.8-6.5177.6-63.6-179.6178.3127.4-4.5113.5F111F111-R113 PolarHBondContact O-N 2.99Å
114I81.3Confident79.1Confident63 Ų63108.2 Ų108.232%0.32353%0.531SS..  trans-92.6130.5-178.4-64.7176.9000110.7K116 E138I114-K116 PolarHBondContact O-N 3.42Å; I114-E138 HydrophobicContact CD1-CB 3.4Å; I114-E138 HydrophobicContact CD1-CG 3.47Å; I114-E138 VanDerWaalsContact CD1-CG 3.47Å; I114-E138 HydrophobicContact CG1-CB 4.33Å; I114-E138 HydrophobicContact CG1-CG 3.85Å
115D78.1Confident79.4Confident92 Ų92111.4 Ų111.449%0.49255%0.552SS.*  trans-84.493.8170.9-70.5-22.2000110.4S117 K118D115-S117 PolarHBondContact O-N 2.88Å; D115-S117 VanDerWaalsContact O-N 3.09Å; D115-K118 HydrophobicContact CB-CD 4.11Å; D115-K118 HydrophobicContact CB-CG 4.38Å; D115-K118 PolarHBondContact O-N 3.22Å; D115-K118 IonicContact OD2-NZ 2.92Å; D115-K118 PolarHBondContact OD2-NZ 3.44Å
116K73.1Confident79.9Confident125 Ų125113.7 Ų113.754%0.54356%0.557SS.*THydrogen-bonded Turntrans-63.3-13177.2-67.1-176.1175.3-175.20114.7I114 K118 E139I114-K116 PolarHBondContact O-N 3.42Å; K116-K118 PolarHBondContact O-N 2.96Å; K116-E139 WeakPolarHBondContact CE-OE1 3.34Å; K116-E139 VanDerWaalsContact NZ-CD 3.34Å; K116-E139 IonicContact NZ-OE1 3.85Å; K116-E139 PolarHBondContact NZ-OE1 3.39Å
117S74.2Confident80.2Confident105 Ų105109.1 Ų109.173%0.73454%0.54SS*.THydrogen-bonded Turntrans-70.6-20.3177.357.90000113D115 T119D115-S117 PolarHBondContact O-N 2.88Å; D115-S117 VanDerWaalsContact O-N 3.09Å; S117-T119 PolarHBondContact O-N 3.49Å
118K72.1Confident80.4Confident142 Ų142108.5 Ų108.562%0.61754%0.537SS*.  trans-92.489.4-177.3-65.8174-178.7154.90110D115 K116D115-K118 HydrophobicContact CB-CD 4.11Å; D115-K118 HydrophobicContact CB-CG 4.38Å; D115-K118 PolarHBondContact O-N 3.22Å; D115-K118 IonicContact OD2-NZ 2.92Å; D115-K118 PolarHBondContact OD2-NZ 3.44Å; K116-K118 PolarHBondContact O-N 2.96Å
119T72.9Confident80.6Confident120 Ų120110.5 Ų110.574%0.73655%0.551SS**  trans-86.9142.9170.455.10000110.7S117 P121S117-T119 PolarHBondContact O-N 3.49Å; T119-P121 WeakPolarHBondContact O-CD 3.36Å
120L70.3Confident80.8Confident113 Ų113108.8 Ų108.859%0.59255%0.548SS*.  trans-86.1110.3176.5-72.6172000110.2H122 L131L120-H122 PolarHBondContact O-N 2.94Å; L120-L131 HydrophobicContact CD1-CD1 3.62Å
121P65.6Low81Confident104 Ų104105.3 Ų105.368%0.67554%0.536SS*.THydrogen-bonded Turntrans-68.4129.517528.4-33.2000109.8T119T119-P121 WeakPolarHBondContact O-CD 3.36Å
122H65.8Low80.9Confident196 Ų196108.4 Ų108.491%0.90755%0.551SS**THydrogen-bonded Turntrans67.146.1173.6-50.977.9000116.3L120L120-H122 PolarHBondContact O-N 2.94Å
123S77.4Confident81.2Confident30 Ų30112.6 Ų112.621%0.2156%0.564CS.*  trans-85.1147.5173.150.40000113.1Q128S123-Q128 PolarHBondContact O-NE2 3.37Å; S123-Q128 VanDerWaalsContact O-NE2 3.12Å; S123-Q128 WeakPolarHBondContact OG-CG 3.4Å; S123-Q128 PolarHBondContact OG-NE2 3.48Å
124K88.4Confident81.5Confident162 Ų162106.6 Ų106.670%0.70455%0.552SS**  trans-62.4147.3174.4-67.1-178.7-178.6179.20110.2K126 T127 Q128K124-K126 VanDerWaalsContact C-N 3.26Å; K124-K126 PolarHBondContact O-N 3.47Å; K124-K126 VanDerWaalsContact O-N 3.17Å; K124-T127 WeakPolarHBondContact O-CA 3.38Å; K124-T127 WeakPolarHBondContact O-CB 3.41Å; K124-T127 PolarHBondContact O-N 2.84Å; K124-Q128 PolarHBondContact O-N 3.28Å
125P86.6Confident81.9Confident102 Ų102107.2 Ų107.266%0.66255%0.554SS**Hα-helixtrans-59.6-35-176.722.6-34000113T127 Q128 S129P125-T127 VanDerWaalsContact C-N 3.31Å; P125-T127 PolarHBondContact O-N 2.95Å; P125-Q128 PolarHBondContact O-N 3.32Å; P125-S129 PolarHBondContact O-N 3.32Å
126K91Very high82.4Confident174 Ų174105.4 Ų105.476%0.75755%0.552SS**Hα-helixtrans-63.9-34.4174.2-68.6-174.2179.3-179.80113.1K124 K130K124-K126 VanDerWaalsContact C-N 3.26Å; K124-K126 PolarHBondContact O-N 3.47Å; K124-K126 VanDerWaalsContact O-N 3.17Å; K126-K130 WeakPolarHBondContact O-CG 3.45Å; K126-K130 PolarHBondContact O-N 3.3Å
127T88.3Confident83.3Confident64 Ų64105.9 Ų105.939%0.39356%0.556SS.*Hα-helixtrans-75.1-41.7178.6-54.40000110.3K124 P125 K130 L131K124-T127 WeakPolarHBondContact O-CA 3.38Å; K124-T127 WeakPolarHBondContact O-CB 3.41Å; K124-T127 PolarHBondContact O-N 2.84Å; P125-T127 VanDerWaalsContact C-N 3.31Å; P125-T127 PolarHBondContact O-N 2.95Å; T127-K130 PolarHBondContact O-N 2.82Å; T127-L131 HydrophobicContact CG2-CD1 4.05Å; T127-L131 WeakPolarHBondContact O-CG 3.36Å; T127-L131 PolarHBondContact O-N 3.41Å
128Q86.6Confident84.1Confident78 Ų78103.6 Ų103.636%0.36453%0.534SS..Hα-helixtrans-56.1-52.3173.7-68.8175-12.100111.2S123 K124 P125 K130 L131 E132S123-Q128 PolarHBondContact O-NE2 3.37Å; S123-Q128 VanDerWaalsContact O-NE2 3.12Å; S123-Q128 WeakPolarHBondContact OG-CG 3.4Å; S123-Q128 PolarHBondContact OG-NE2 3.48Å; K124-Q128 PolarHBondContact O-N 3.28Å; P125-Q128 PolarHBondContact O-N 3.32Å; Q128-K130 PolarHBondContact O-N 2.91Å; Q128-L131 WeakPolarHBondContact O-CB 3.34Å; Q128-L131 PolarHBondContact O-N 2.95Å; Q128-E132 WeakPolarHBondContact O-CG 3.34Å; Q128-E132 PolarHBondContact O-N 3.05Å
129S89.4Confident84.9Confident48 Ų48100.7 Ų100.734%0.33652%0.522SS..Hα-helixtrans-60.3-30.9178.4-178.80000113.7P125 K133P125-S129 PolarHBondContact O-N 3.32Å; S129-K133 VanDerWaalsContact O-CG 3.26Å; S129-K133 WeakPolarHBondContact O-CG 3.38Å; S129-K133 PolarHBondContact O-N 2.97Å
130K90.9Very high85.7Confident157 Ų157100.1 Ų100.168%0.68351%0.511SS*.Hα-helixtrans-73.5-39.5174.3-76.8-178.6178.6-172.10112.2K126 T127 Q128 K133 A134K126-K130 WeakPolarHBondContact O-CG 3.45Å; K126-K130 PolarHBondContact O-N 3.3Å; T127-K130 PolarHBondContact O-N 2.82Å; Q128-K130 PolarHBondContact O-N 2.91Å; K130-K133 PolarHBondContact O-N 2.87Å; K130-A134 PolarHBondContact O-N 2.96Å
131L88.6Confident86.8Confident64 Ų6496.8 Ų96.834%0.33550%0.5SS..Hα-helixtrans-65.4-47.8176.7-72.4163.8000110.6L120 T127 Q128 K133 A134 E135L120-L131 HydrophobicContact CD1-CD1 3.62Å; T127-L131 HydrophobicContact CG2-CD1 4.05Å; T127-L131 WeakPolarHBondContact O-CG 3.36Å; T127-L131 PolarHBondContact O-N 3.41Å; Q128-L131 WeakPolarHBondContact O-CB 3.34Å; Q128-L131 PolarHBondContact O-N 2.95Å; L131-K133 VanDerWaalsContact C-N 3.26Å; L131-K133 PolarHBondContact O-N 3.07Å; L131-A134 CarbonylContact O-C 3.54Å; L131-A134 PolarHBondContact O-N 2.91Å; L131-E135 WeakPolarHBondContact O-CB 3.25Å; L131-E135 WeakPolarHBondContact O-CG 3.39Å; L131-E135 PolarHBondContact O-N 3.26Å
132E88.4Confident88Confident118 Ų11892.3 Ų92.355%0.55147%0.471SS*.Hα-helixtrans-55.4-41.6175.6-71.1168.1-177.600112Q128 A136Q128-E132 WeakPolarHBondContact O-CG 3.34Å; Q128-E132 PolarHBondContact O-N 3.05Å; E132-A136 VanDerWaalsContact O-CB 3.31Å; E132-A136 WeakPolarHBondContact O-CB 3.45Å; E132-A136 PolarHBondContact O-N 3.26Å
133K91.6Very high89.2Confident132 Ų13284.1 Ų84.157%0.57444%0.435SS*.Hα-helixtrans-65.9-41175.3-75.8173.7-176.8179.10112.7S129 K130 L131 Q137S129-K133 VanDerWaalsContact O-CG 3.26Å; S129-K133 WeakPolarHBondContact O-CG 3.38Å; S129-K133 PolarHBondContact O-N 2.97Å; K130-K133 PolarHBondContact O-N 2.87Å; L131-K133 VanDerWaalsContact C-N 3.26Å; L131-K133 PolarHBondContact O-N 3.07Å; K133-Q137 WeakPolarHBondContact O-CB 3.49Å; K133-Q137 VanDerWaalsContact O-CG 3.25Å; K133-Q137 WeakPolarHBondContact O-CG 3.44Å; K133-Q137 PolarHBondContact O-N 3.29Å
134A90.1Very high89.9Confident49 Ų4990 Ų9041%0.40545%0.453SS..Hα-helixtrans-68.8-41.2178.200000111.4K130 L131 Q137 E138K130-A134 PolarHBondContact O-N 2.96Å; L131-A134 CarbonylContact O-C 3.54Å; L131-A134 PolarHBondContact O-N 2.91Å; A134-Q137 PolarHBondContact O-N 3.08Å; A134-E138 PolarHBondContact O-N 3.5Å
135E90.3Very high90Very high76 Ų7684 Ų8436%0.35543%0.433SS..Hα-helixtrans-61.2-47.4174.5-72.7172.4-172.500111L131 Q137 E138 E139L131-E135 WeakPolarHBondContact O-CB 3.25Å; L131-E135 WeakPolarHBondContact O-CG 3.39Å; L131-E135 PolarHBondContact O-N 3.26Å; E135-Q137 VanDerWaalsContact C-N 3.32Å; E135-Q137 PolarHBondContact O-N 3.46Å; E135-E138 PolarHBondContact O-N 2.96Å; E135-E139 WeakPolarHBondContact O-CG 3.49Å; E135-E139 PolarHBondContact O-N 3.49Å
136A89.7Confident90.3Very high55 Ų5579.1 Ų79.146%0.45540%0.402SS..Hα-helixtrans-61.7-37.8176.300000112.8E132 E139 E140E132-A136 VanDerWaalsContact O-CB 3.31Å; E132-A136 WeakPolarHBondContact O-CB 3.45Å; E132-A136 PolarHBondContact O-N 3.26Å; A136-E139 PolarHBondContact O-N 2.89Å; A136-E140 PolarHBondContact O-N 3.44Å
137Q92Very high90.2Very high135 Ų13575.8 Ų75.863%0.63138%0.384SS*.Hα-helixtrans-65.9-41.8175.8-77.8175-0.800112.3K133 A134 E135 E140 A141K133-Q137 WeakPolarHBondContact O-CB 3.49Å; K133-Q137 VanDerWaalsContact O-CG 3.25Å; K133-Q137 WeakPolarHBondContact O-CG 3.44Å; K133-Q137 PolarHBondContact O-N 3.29Å; A134-Q137 PolarHBondContact O-N 3.08Å; E135-Q137 VanDerWaalsContact C-N 3.32Å; E135-Q137 PolarHBondContact O-N 3.46Å; Q137-E140 PolarHBondContact O-N 3.01Å; Q137-A141 WeakPolarHBondContact O-CB 3.28Å; Q137-A141 PolarHBondContact O-N 3.27Å
138E90.1Very high90.3Very high57 Ų5775 Ų7527%0.26639%0.385SS..Hα-helixtrans-67.5-39.5176.4-173.376.117200111.3I114 A134 E135 A141 S142I114-E138 HydrophobicContact CD1-CB 3.4Å; I114-E138 HydrophobicContact CD1-CG 3.47Å; I114-E138 VanDerWaalsContact CD1-CG 3.47Å; I114-E138 HydrophobicContact CG1-CB 4.33Å; I114-E138 HydrophobicContact CG1-CG 3.85Å; A134-E138 PolarHBondContact O-N 3.5Å; E135-E138 PolarHBondContact O-N 2.96Å; E138-A141 PolarHBondContact O-N 2.85Å; E138-S142 WeakPolarHBondContact O-CB 3.28Å; E138-S142 PolarHBondContact O-N 3.17Å; E138-S142 PolarHBondContact O-OG 2.84Å
139E88.2Confident90.4Very high80 Ų8073.5 Ų73.537%0.37438%0.377SS..Hα-helixtrans-59-49174-75.1177.6-164.200111K116 E135 A136 A141 S142 V143K116-E139 WeakPolarHBondContact CE-OE1 3.34Å; K116-E139 VanDerWaalsContact NZ-CD 3.34Å; K116-E139 IonicContact NZ-OE1 3.85Å; K116-E139 PolarHBondContact NZ-OE1 3.39Å; E135-E139 WeakPolarHBondContact O-CG 3.49Å; E135-E139 PolarHBondContact O-N 3.49Å; A136-E139 PolarHBondContact O-N 2.89Å; E139-A141 VanDerWaalsContact C-N 3.28Å; E139-A141 PolarHBondContact O-N 2.76Å; E139-S142 PolarHBondContact O-N 3.34Å; E139-S142 PolarHBondContact O-OG 2.92Å; E139-V143 WeakPolarHBondContact O-CG2 3.42Å; E139-V143 PolarHBondContact O-N 3Å
140E90.4Very high90.3Very high108 Ų10877.9 Ų77.951%0.50540%0.396SS..Hα-helixtrans-59.6-41.3176-167.2-16815300111.3A136 Q137 V143 R144A136-E140 PolarHBondContact O-N 3.44Å; Q137-E140 PolarHBondContact O-N 3.01Å; E140-V143 PolarHBondContact O-N 2.88Å; E140-R144 VanDerWaalsContact O-CB 3.28Å; E140-R144 WeakPolarHBondContact O-CB 3.3Å; E140-R144 PolarHBondContact O-N 2.77Å; E140-R144 IonicContact OE1-CZ 3.74Å; E140-R144 IonicContact OE1-NH1 2.8Å; E140-R144 IonicContact OE1-NH2 2.74Å; E140-R144 PolarHBondContact OE1-NH2 2.97Å
141A92.5Very high90.3Very high44 Ų4477.5 Ų77.536%0.36440%0.401SS..Hα-helixtrans-64.2-43176.900000112.1Q137 E138 E139 R144 A145Q137-A141 WeakPolarHBondContact O-CB 3.28Å; Q137-A141 PolarHBondContact O-N 3.27Å; E138-A141 PolarHBondContact O-N 2.85Å; E139-A141 VanDerWaalsContact C-N 3.28Å; E139-A141 PolarHBondContact O-N 2.76Å; A141-R144 PolarHBondContact O-N 2.63Å; A141-A145 WeakPolarHBondContact O-CB 3.48Å; A141-A145 PolarHBondContact O-N 2.83Å
142S91.9Very high90.4Very high10 Ų1078.9 Ų78.97%0.0741%0.408CS..Hα-helixtrans-65.1-41.3177.9720000112E138 E139 A145 A146E138-S142 WeakPolarHBondContact O-CB 3.28Å; E138-S142 PolarHBondContact O-N 3.17Å; E138-S142 PolarHBondContact O-OG 2.84Å; E139-S142 PolarHBondContact O-N 3.34Å; E139-S142 PolarHBondContact O-OG 2.92Å; S142-A145 PolarHBondContact O-N 3.32Å; S142-A146 WeakPolarHBondContact O-CB 3.48Å; S142-A146 PolarHBondContact O-N 3.19Å
143V90.9Very high90.5Very high24 Ų2477.8 Ų77.815%0.14542%0.419CS..Hα-helixtrans-67.7-40.1175.8172.60000110.8A103 A108 E139 E140 A145 A146 R147A103-V143 HydrophobicContact CB-CG1 3.84Å; A103-V143 HydrophobicContact CB-CG2 4.28Å; A108-V143 HydrophobicContact CB-CG2 4.17Å; E139-V143 WeakPolarHBondContact O-CG2 3.42Å; E139-V143 PolarHBondContact O-N 3Å; E140-V143 PolarHBondContact O-N 2.88Å; V143-A145 VanDerWaalsContact C-N 3.34Å; V143-A146 PolarHBondContact O-N 2.9Å; V143-R147 WeakPolarHBondContact O-CB 3.36Å; V143-R147 VanDerWaalsContact O-CG 3.27Å; V143-R147 WeakPolarHBondContact O-CG 3.47Å; V143-R147 PolarHBondContact O-N 2.92Å
144R91.4Very high90.5Very high154 Ų15476.9 Ų76.958%0.58142%0.417SS*.Hα-helixtrans-64.1-39.2174.9-177.1178.4-73.6129.14.5111.6E140 A141 A148E140-R144 VanDerWaalsContact O-CB 3.28Å; E140-R144 WeakPolarHBondContact O-CB 3.3Å; E140-R144 PolarHBondContact O-N 2.77Å; E140-R144 IonicContact OE1-CZ 3.74Å; E140-R144 IonicContact OE1-NH1 2.8Å; E140-R144 IonicContact OE1-NH2 2.74Å; E140-R144 PolarHBondContact OE1-NH2 2.97Å; A141-R144 PolarHBondContact O-N 2.63Å; R144-A148 PolarHBondContact O-N 2.68Å; R144-A148 VanDerWaalsContact O-N 3.15Å
145A91.8Very high90.5Very high35 Ų3582.8 Ų82.829%0.28944%0.436SS..Hα-helixtrans-66.2-45.9175.900000111.8F111 A141 S142 V143 R147 A148 E149F111-A145 HydrophobicContact CB-CB 4.11Å; F111-A145 HydrophobicContact CD1-CB 3.84Å; F111-A145 HydrophobicContact CD2-CB 4.18Å; F111-A145 HydrophobicContact CE1-CB 4.27Å; F111-A145 HydrophobicContact CG-CB 3.76Å; A141-A145 WeakPolarHBondContact O-CB 3.48Å; A141-A145 PolarHBondContact O-N 2.83Å; S142-A145 PolarHBondContact O-N 3.32Å; V143-A145 VanDerWaalsContact C-N 3.34Å; A145-R147 VanDerWaalsContact C-N 3.33Å; A145-R147 PolarHBondContact O-N 3.31Å; A145-A148 WeakPolarHBondContact O-CB 3.19Å; A145-A148 PolarHBondContact O-N 2.73Å; A145-E149 PolarHBondContact O-N 3.27Å
146A91.2Very high90.5Very high0 Ų081.7 Ų81.70%044%0.436CS..Hα-helixtrans-59.2-43.717500000111.8P104 E107 A108 F111 S142 V143 A148 E149P104-A146 HydrophobicContact CG-CB 3.84Å; E107-A146 HydrophobicContact CB-CB 4Å; A108-A146 HydrophobicContact CB-CB 4.27Å; F111-A146 HydrophobicContact CD2-CB 4Å; F111-A146 HydrophobicContact CE2-CB 4.13Å; S142-A146 WeakPolarHBondContact O-CB 3.48Å; S142-A146 PolarHBondContact O-N 3.19Å; V143-A146 PolarHBondContact O-N 2.9Å; A146-A148 PolarHBondContact O-N 2.79Å; A146-E149 WeakPolarHBondContact O-CB 3.24Å; A146-E149 PolarHBondContact O-N 3.12Å
147R89.8Confident90.5Very high103 Ų10380.2 Ų80.239%0.38943%0.426SS..Hα-helixtrans-60.8-28.6174.4-74.5173.2176.1164.5-0.7113.5V101 P104 V143 A145 E149 L150V101-R147 PolarHBondContact O-NH2 2.83Å; P104-R147 HydrophobicContact CG-CG 4.39Å; V143-R147 WeakPolarHBondContact O-CB 3.36Å; V143-R147 VanDerWaalsContact O-CG 3.27Å; V143-R147 WeakPolarHBondContact O-CG 3.47Å; V143-R147 PolarHBondContact O-N 2.92Å; A145-R147 VanDerWaalsContact C-N 3.33Å; A145-R147 PolarHBondContact O-N 3.31Å; R147-E149 VanDerWaalsContact C-N 3.27Å; R147-L150 WeakPolarHBondContact O-CB 3.38Å; R147-L150 PolarHBondContact O-N 3.18Å
148A90.2Very high90.5Very high49 Ų4980.5 Ų80.541%0.40543%0.425SS..Hα-helixtrans-73.9-18.4176.500000112.6R144 A145 A146 L150 L151R144-A148 PolarHBondContact O-N 2.68Å; R144-A148 VanDerWaalsContact O-N 3.15Å; A145-A148 WeakPolarHBondContact O-CB 3.19Å; A145-A148 PolarHBondContact O-N 2.73Å; A146-A148 PolarHBondContact O-N 2.79Å; A148-L150 PolarHBondContact O-N 2.75Å; A148-L151 WeakPolarHBondContact O-CB 3.41Å; A148-L151 PolarHBondContact O-N 3.28Å
149E88.3Confident90.5Very high45 Ų4579.1 Ų79.121%0.2142%0.42CS..Hα-helixtrans-63.8-23.6172.9-66-164136.800112.2K110 F111 A145 A146 R147 L151 L152K110-E149 IonicContact NZ-OE1 2.68Å; K110-E149 PolarHBondContact NZ-OE1 3.25Å; F111-E149 VanDerWaalsContact CE2-CD 3.48Å; F111-E149 HydrophobicContact CE2-CG 3.86Å; F111-E149 VanDerWaalsContact CZ-CD 3.41Å; F111-E149 HydrophobicContact CZ-CG 3.64Å; F111-E149 WeakPolarHBondContact CZ-OE1 3.33Å; A145-E149 PolarHBondContact O-N 3.27Å; A146-E149 WeakPolarHBondContact O-CB 3.24Å; A146-E149 PolarHBondContact O-N 3.12Å; R147-E149 VanDerWaalsContact C-N 3.27Å; E149-L151 PolarHBondContact O-N 3.13Å; E149-L151 VanDerWaalsContact O-N 3.15Å; E149-L152 HydrophobicContact CB-CD1 4.01Å; E149-L152 HydrophobicContact CG-CD1 4.35Å; E149-L152 VanDerWaalsContact O-CB 3.27Å; E149-L152 WeakPolarHBondContact O-CB 3.3Å; E149-L152 WeakPolarHBondContact O-CD1 3.37Å; E149-L152 WeakPolarHBondContact O-CG 3.45Å; E149-L152 PolarHBondContact O-N 2.86Å; E149-L152 VanDerWaalsContact O-N 3.09Å
150L87.2Confident90.6Very high141 Ų14180.5 Ų80.574%0.73843%0.434SS*.THydrogen-bonded Turntrans-63.1-17.8171.9-62.5173.3000113.3R147 A148 L152R147-L150 WeakPolarHBondContact O-CB 3.38Å; R147-L150 PolarHBondContact O-N 3.18Å; A148-L150 PolarHBondContact O-N 2.75Å; L150-L152 VanDerWaalsContact C-N 3.34Å
151L90.8Very high90.3Very high148 Ų14876.5 Ų76.578%0.77542%0.421SS*.THydrogen-bonded Turntrans-90.20.7178.3-57.6174.8000112.8A148 E149 A153A148-L151 WeakPolarHBondContact O-CB 3.41Å; A148-L151 PolarHBondContact O-N 3.28Å; E149-L151 PolarHBondContact O-N 3.13Å; E149-L151 VanDerWaalsContact O-N 3.15Å; L151-A153 PolarHBondContact O-N 2.97Å
152L91.3Very high90Very high94 Ų9478.2 Ų78.249%0.49242%0.422SS..  trans-63.4129.3174.2-65.9173.3000109.3E149 L150 N437E149-L152 HydrophobicContact CB-CD1 4.01Å; E149-L152 HydrophobicContact CG-CD1 4.35Å; E149-L152 VanDerWaalsContact O-CB 3.27Å; E149-L152 WeakPolarHBondContact O-CB 3.3Å; E149-L152 WeakPolarHBondContact O-CD1 3.37Å; E149-L152 WeakPolarHBondContact O-CG 3.45Å; E149-L152 PolarHBondContact O-N 2.86Å; E149-L152 VanDerWaalsContact O-N 3.09Å; L150-L152 VanDerWaalsContact C-N 3.34Å; L152-N437 HydrophobicContact CD2-CB 3.66Å
153A90.5Very high89.5Confident95 Ų9586 Ų8679%0.78546%0.463SS*.  trans-85.5-30.3-16900000112.8L151 N437L151-A153 PolarHBondContact O-N 2.97Å; A153-N437 PolarHBondContact N-OD1 3.31Å
154E90.9Very high88.9Confident112 Ų11288.9 Ų88.952%0.52350%0.497SS..  trans-116.6139.5-171.8-64.4-176.5-176.500111.5P436 N437E154-P436 HydrophobicContact CB-CB 3.77Å; E154-P436 HydrophobicContact CB-CG 4.32Å; E154-N437 PolarHBondContact N-OD1 3.32Å; E154-N437 PolarHBondContact O-ND2 2.96Å
155E90.7Very high88.7Confident174 Ų17485.4 Ų85.481%0.81349%0.487SS*.PPolyproline II helixtrans-89.7146.4172.3-68.6-175.5176.200110.4
156P90.7Very high88.5Confident52 Ų5287.2 Ų87.234%0.33849%0.492SS..PPolyproline II helixtrans-75.7141.3179.832.7-35.6000111.6P436P156-P436 HydrophobicContact CB-CG 4.12Å
157G89.9Confident88.5Confident25 Ų2588.6 Ų88.626%0.25850%0.501SS..PPolyproline II helixtrans-60.3158.5174.800000112.9R367 G432G157-R367 PolarHBondContact O-NH1 3.2Å; G157-G432 WeakPolarHBondContact O-CA 3.31Å; G157-G432 PolarHBondContact O-N 3.33Å
158F91.4Very high88.5Confident140 Ų14084.7 Ų84.761%0.61449%0.49SS*.  trans-154.9165.6172.360.7-91000110.9V160F158-V160 HydrophobicContact CD2-CB 4.48Å; F158-V160 HydrophobicContact CD2-CG2 3.79Å; F158-V160 HydrophobicContact CE2-CG2 4.37Å
159L90.9Very high88.6Confident28 Ų2888.9 Ų88.915%0.14750%0.5CS..  trans-136.9121.2170.9-173.866.7000105.5I170 I175 Y396 L397 P431L159-I170 HydrophobicContact CD1-CD1 4Å; L159-I170 HydrophobicContact CD2-CD1 3.79Å; L159-I170 HydrophobicContact CG-CD1 3.97Å; L159-I175 HydrophobicContact CD2-CD1 4.47Å; L159-Y396 HydrophobicContact CB-CE2 3.97Å; L159-Y396 WeakPolarHBondContact CB-OH 3.49Å; L159-Y396 PolarHBondContact N-OH 2.87Å; L159-Y396 WeakPolarHBondContact O-CE2 3.34Å; L159-L397 HydrophobicContact CD2-CD1 4.5Å; L159-P431 HydrophobicContact CB-CB 4.26Å; L159-P431 HydrophobicContact CB-CG 4.41Å
160V89.2Confident88.8Confident110 Ų11088.1 Ų88.167%0.66750%0.496SS*.  trans-126.2132179.6173.50000106.6F158F158-V160 HydrophobicContact CD2-CB 4.48Å; F158-V160 HydrophobicContact CD2-CG2 3.79Å; F158-V160 HydrophobicContact CE2-CG2 4.37Å
161G85Confident89.1Confident24 Ų2484.8 Ų84.825%0.24748%0.479CS..  trans-78.3144.5173.100000110T167G161-T167 VanDerWaalsContact N-CG2 3.29Å
162E85.4Confident89.3Confident80 Ų8077.9 Ų77.937%0.37444%0.443SS..  trans-63.1166.1165.4-68-174.6169.900110.1K23 R26 G164 E165K23-E162 IonicContact NZ-OE2 2.89Å; K23-E162 PolarHBondContact NZ-OE2 3.13Å; R26-E162 IonicContact NH1-OE1 3.07Å; E162-G164 PolarHBondContact O-N 3.48Å; E162-E165 HydrophobicContact CB-CG 4.37Å; E162-E165 PolarHBondContact O-N 2.87Å
163D81.8Confident89.4Confident174 Ų17477.2 Ų77.293%0.9344%0.443SS*.THydrogen-bonded Turntrans-53.2115.5179.7-68.7-35.8000111.7
164G79.3Confident89.6Confident84 Ų8474.2 Ų74.287%0.86641%0.413SS*.THydrogen-bonded Turntrans87.62.6-179.200000115.7E162E162-G164 PolarHBondContact O-N 3.48Å
165E86.3Confident89.8Confident80 Ų8069.1 Ų69.137%0.37439%0.39SS..  trans-99.7117.8174.9-63-168.9168.700112K23 E162 T167K23-E165 WeakPolarHBondContact CD-OE1 3.39Å; K23-E165 IonicContact NZ-OE1 3.37Å; E162-E165 HydrophobicContact CB-CG 4.37Å; E162-E165 PolarHBondContact O-N 2.87Å; E165-T167 PolarHBondContact O-N 3.42Å
166D87.8Confident90Very high74 Ų7462.6 Ų62.640%0.39636%0.362SS..  trans-76.1118.3175-57.6-39.8000110.6A168 K169D166-A168 PolarHBondContact O-N 3.43Å; D166-A168 VanDerWaalsContact O-N 3.13Å; D166-K169 HydrophobicContact CB-CD 4.1Å; D166-K169 HydrophobicContact CB-CG 4.25Å; D166-K169 PolarHBondContact O-N 3.05Å; D166-K169 VanDerWaalsContact OD2-CE 3.29Å; D166-K169 WeakPolarHBondContact OD2-CE 3.35Å; D166-K169 IonicContact OD2-NZ 2.76Å; D166-K169 PolarHBondContact OD2-NZ 3.17Å
167T90.6Very high90.2Very high28 Ų2865 Ų6517%0.17237%0.369CS..G310 helixtrans-56.7-29.5175.650.90000112.9G161 E165 K169 I170 Y396G161-T167 VanDerWaalsContact N-CG2 3.29Å; E165-T167 PolarHBondContact O-N 3.42Å; T167-K169 PolarHBondContact O-N 3.48Å; T167-K169 VanDerWaalsContact O-N 3.11Å; T167-I170 WeakPolarHBondContact O-CB 3.39Å; T167-I170 WeakPolarHBondContact O-CG1 3.47Å; T167-I170 PolarHBondContact O-N 3.48Å; T167-Y396 CarbonylContact C-O 3.35Å; T167-Y396 VanDerWaalsContact CB-O 3.3Å; T167-Y396 WeakPolarHBondContact CB-O 3.45Å; T167-Y396 PolarHBondContact OG1-O 3.26Å
168A91.1Very high90.3Very high21 Ų2164.9 Ų64.917%0.17437%0.365CS..G310 helixtrans-58.3-23.7176.700000114.7D166 P395 Y396 T398D166-A168 PolarHBondContact O-N 3.43Å; D166-A168 VanDerWaalsContact O-N 3.13Å; A168-P395 HydrophobicContact CB-CG 3.92Å; A168-Y396 PolarHBondContact N-O 3.47Å; A168-T398 PolarHBondContact O-N 3.4Å
169K91.6Very high90.5Very high138 Ų13860.3 Ų60.360%0.635%0.348SS*.G310 helixtrans-89.8-7.1-176.2-67.6172.7179.2153.10113.4R22 D166 T167R22-K169 PolarHBondContact NH2-O 3.38Å; D166-K169 HydrophobicContact CB-CD 4.1Å; D166-K169 HydrophobicContact CB-CG 4.25Å; D166-K169 PolarHBondContact O-N 3.05Å; D166-K169 VanDerWaalsContact OD2-CE 3.29Å; D166-K169 WeakPolarHBondContact OD2-CE 3.35Å; D166-K169 IonicContact OD2-NZ 2.76Å; D166-K169 PolarHBondContact OD2-NZ 3.17Å; T167-K169 PolarHBondContact O-N 3.48Å; T167-K169 VanDerWaalsContact O-N 3.11Å
170I92.8Very high90.6Very high28 Ų2862.3 Ų62.314%0.14436%0.359CS..  trans-71.2128-178.2-61.8174.1000109.1L159 T167 D174 I175L159-I170 HydrophobicContact CD1-CD1 4Å; L159-I170 HydrophobicContact CD2-CD1 3.79Å; L159-I170 HydrophobicContact CG-CD1 3.97Å; T167-I170 WeakPolarHBondContact O-CB 3.39Å; T167-I170 WeakPolarHBondContact O-CG1 3.47Å; T167-I170 PolarHBondContact O-N 3.48Å; I170-D174 HydrophobicContact CG2-CB 4.21Å; I170-I175 HydrophobicContact CG2-CD1 4.08Å; I170-I175 HydrophobicContact CG2-CG1 3.7Å
171L93.7Very high90.9Very high71 Ų7164.4 Ų64.437%0.37237%0.365SS..  trans-84.5157.9179-62.2-176.8000111.6T173 D174 I175L171-T173 WeakPolarHBondContact CB-OG1 3.47Å; L171-T173 PolarHBondContact O-N 2.85Å; L171-D174 WeakPolarHBondContact CB-OD2 3.32Å; L171-D174 PolarHBondContact N-OD2 2.95Å; L171-D174 VanDerWaalsContact N-OD2 3.16Å; L171-D174 WeakPolarHBondContact O-CB 3.47Å; L171-D174 PolarHBondContact O-N 3.31Å; L171-D174 VanDerWaalsContact O-N 3.11Å; L171-I175 PolarHBondContact O-N 3.29Å
172Q94.2Very high91.3Very high4 Ų466.3 Ų66.32%0.01938%0.379CS..Hα-helixtrans-60.8-35.3173-75.4-68.3-53.900112.3D174 I175 V176 H399 M428 L429Q172-D174 VanDerWaalsContact C-N 3.25Å; Q172-D174 PolarHBondContact O-N 2.85Å; Q172-I175 PolarHBondContact O-N 3.07Å; Q172-V176 WeakPolarHBondContact O-CB 3.36Å; Q172-V176 WeakPolarHBondContact O-CG2 3.47Å; Q172-V176 PolarHBondContact O-N 2.87Å; Q172-H399 WeakPolarHBondContact CG-CD2 3.24Å; Q172-H399 WeakPolarHBondContact CG-NE2 3.46Å; Q172-M428 HydrophobicContact CG-CE 3.88Å; Q172-M428 HydrophobicContact CG-CG 4.48Å; Q172-L429 PolarHBondContact NE2-O 2.87Å; Q172-L429 PolarHBondContact OE1-O 3.3Å
173T94.4Very high91.7Very high80 Ų8064.1 Ų64.149%0.49137%0.372SS..Hα-helixtrans-57.6-41.1174.251.20000111.9L171 V176 E177L171-T173 WeakPolarHBondContact CB-OG1 3.47Å; L171-T173 PolarHBondContact O-N 2.85Å; T173-V176 PolarHBondContact O-N 3.04Å; T173-E177 WeakPolarHBondContact O-CG 3.31Å; T173-E177 PolarHBondContact O-N 3.25Å; T173-E177 VanDerWaalsContact O-N 3.08Å
174D94Very high92.3Very high31 Ų3156.7 Ų56.717%0.16634%0.335CS..Hα-helixtrans-69.4-39.5-177.6-52.5-24.5000110.4P25 I170 L171 Q172 A178P25-D174 HydrophobicContact CG-CB 3.82Å; P25-D174 WeakPolarHBondContact CG-O 3.26Å; I170-D174 HydrophobicContact CG2-CB 4.21Å; L171-D174 WeakPolarHBondContact CB-OD2 3.32Å; L171-D174 PolarHBondContact N-OD2 2.95Å; L171-D174 VanDerWaalsContact N-OD2 3.16Å; L171-D174 WeakPolarHBondContact O-CB 3.47Å; L171-D174 PolarHBondContact O-N 3.31Å; L171-D174 VanDerWaalsContact O-N 3.11Å; Q172-D174 VanDerWaalsContact C-N 3.25Å; Q172-D174 PolarHBondContact O-N 2.85Å; D174-A178 WeakPolarHBondContact O-CB 3.47Å; D174-A178 PolarHBondContact O-N 3.33Å; D174-A178 VanDerWaalsContact O-N 3.16Å
175I94.7Very high93.1Very high5 Ų555 Ų553%0.02631%0.312CS..Hα-helixtrans-66.7-45.1175.9-62.1170.2000110.7L159 I170 L171 Q172 E177 A178 V179 L397 L429 P431L159-I175 HydrophobicContact CD2-CD1 4.47Å; I170-I175 HydrophobicContact CG2-CD1 4.08Å; I170-I175 HydrophobicContact CG2-CG1 3.7Å; L171-I175 PolarHBondContact O-N 3.29Å; Q172-I175 PolarHBondContact O-N 3.07Å; I175-E177 VanDerWaalsContact C-N 3.3Å; I175-E177 PolarHBondContact O-N 3.21Å; I175-A178 PolarHBondContact O-N 3.21Å; I175-A178 VanDerWaalsContact O-N 3.15Å; I175-V179 HydrophobicContact CG2-CG2 3.94Å; I175-V179 WeakPolarHBondContact O-CB 3.48Å; I175-V179 WeakPolarHBondContact O-CG2 3.44Å; I175-V179 PolarHBondContact O-N 3.02Å; I175-L397 HydrophobicContact CD1-CD1 3.57Å; I175-L429 HydrophobicContact CG2-CB 3.95Å; I175-L429 HydrophobicContact CG2-CD1 4.15Å; I175-P431 HydrophobicContact CG2-CG 4.32Å
176V95.7Very high93.5Very high37 Ų3753 Ų5322%0.22430%0.303CS..Hα-helixtrans-63.1-36.6-178.9172.40000111.7Q172 T173 A184 H187 L429Q172-V176 WeakPolarHBondContact O-CB 3.36Å; Q172-V176 WeakPolarHBondContact O-CG2 3.47Å; Q172-V176 PolarHBondContact O-N 2.87Å; T173-V176 PolarHBondContact O-N 3.04Å; V176-A184 HydrophobicContact CG1-CB 3.97Å; V176-H187 HydrophobicContact CG2-CB 3.77Å; V176-H187 VanDerWaalsContact CG2-CD2 3.41Å; V176-H187 WeakPolarHBondContact CG2-CD2 3.3Å; V176-L429 HydrophobicContact CG2-CD1 3.96Å
177E94.2Very high93.9Very high104 Ų10452 Ų5249%0.48630%0.295SS..Hα-helixtrans-70.2-35.9174.2-73.2-176.2-171.200112.7K24 R27 T173 I175K24-E177 IonicContact NZ-OE2 3.92Å; K24-E177 PolarHBondContact NZ-OE2 3Å; R27-E177 PolarHBondContact NH2-O 2.8Å; T173-E177 WeakPolarHBondContact O-CG 3.31Å; T173-E177 PolarHBondContact O-N 3.25Å; T173-E177 VanDerWaalsContact O-N 3.08Å; I175-E177 VanDerWaalsContact C-N 3.3Å; I175-E177 PolarHBondContact O-N 3.21Å
178A93.1Very high94.1Very high21 Ų2152.1 Ų52.117%0.17429%0.294CS..Hα-helixtrans-76.7-32.5-177.500000113.2P25 R27 D174 I175P25-A178 HydrophobicContact CB-CB 4.41Å; P25-A178 HydrophobicContact CG-CB 3.99Å; R27-A178 WeakPolarHBondContact CG-O 3.49Å; R27-A178 PolarHBondContact NE-O 3.5Å; D174-A178 WeakPolarHBondContact O-CB 3.47Å; D174-A178 PolarHBondContact O-N 3.33Å; D174-A178 VanDerWaalsContact O-N 3.16Å; I175-A178 PolarHBondContact O-N 3.21Å; I175-A178 VanDerWaalsContact O-N 3.15Å
179V94.1Very high94.3Very high44 Ų4455.3 Ų55.327%0.26731%0.307SS..SBendtrans-82162.6-175.8178.50000111.5I175I175-V179 HydrophobicContact CG2-CG2 3.94Å; I175-V179 WeakPolarHBondContact O-CB 3.48Å; I175-V179 WeakPolarHBondContact O-CG2 3.44Å; I175-V179 PolarHBondContact O-N 3.02Å
180D94.3Very high94.4Very high71 Ų7151.1 Ų51.138%0.3829%0.291SS..  trans-62159174.875.6-72.8000113.1A182 S183 A184D180-A182 VanDerWaalsContact C-N 3.28Å; D180-A182 PolarHBondContact O-N 3.37Å; D180-A182 WeakPolarHBondContact OD2-CA 3.21Å; D180-A182 VanDerWaalsContact OD2-CB 3.29Å; D180-A182 WeakPolarHBondContact OD2-CB 3.42Å; D180-A182 PolarHBondContact OD2-N 3.38Å; D180-S183 PolarHBondContact O-N 3.16Å; D180-S183 WeakPolarHBondContact OD1-CB 3.38Å; D180-S183 PolarHBondContact OD1-OG 3.47Å; D180-S183 PolarHBondContact OD2-N 3.01Å; D180-S183 VanDerWaalsContact OD2-N 3.13Å; D180-A184 VanDerWaalsContact O-CB 3.23Å; D180-A184 WeakPolarHBondContact O-CB 3.42Å; D180-A184 PolarHBondContact O-N 3.26Å
181I94.6Very high94.4Very high154 Ų15455.1 Ų55.179%0.7931%0.313SS*.Hα-helixtrans-60.4-36.3-174.7-59.2171000112A185I181-A185 WeakPolarHBondContact O-CB 3.42Å; I181-A185 PolarHBondContact O-N 3.35Å
182A93.5Very high94.4Very high64 Ų6454 Ų5453%0.52931%0.308SS..Hα-helixtrans-70.8-42.1-176.200000110.9D180D180-A182 VanDerWaalsContact C-N 3.28Å; D180-A182 PolarHBondContact O-N 3.37Å; D180-A182 WeakPolarHBondContact OD2-CA 3.21Å; D180-A182 VanDerWaalsContact OD2-CB 3.29Å; D180-A182 WeakPolarHBondContact OD2-CB 3.42Å; D180-A182 PolarHBondContact OD2-N 3.38Å
183S93.6Very high94.1Very high33 Ų3363.3 Ų63.323%0.23134%0.342CS..Hα-helixtrans-74.9-36.4175.2-52.10000112.1D180 A185 K186D180-S183 PolarHBondContact O-N 3.16Å; D180-S183 WeakPolarHBondContact OD1-CB 3.38Å; D180-S183 PolarHBondContact OD1-OG 3.47Å; D180-S183 PolarHBondContact OD2-N 3.01Å; D180-S183 VanDerWaalsContact OD2-N 3.13Å; S183-A185 VanDerWaalsContact C-N 3.26Å; S183-A185 PolarHBondContact O-N 2.96Å; S183-K186 VanDerWaalsContact O-CB 3.25Å; S183-K186 WeakPolarHBondContact O-CB 3.31Å; S183-K186 PolarHBondContact O-N 2.83Å; S183-K186 VanDerWaalsContact O-N 3.07Å
184A95.3Very high93.9Very high18 Ų1866.1 Ų66.115%0.14935%0.35CS..Hα-helixtrans-57.2-38.9172.100000112V176 D180 K186 H187V176-A184 HydrophobicContact CG1-CB 3.97Å; D180-A184 VanDerWaalsContact O-CB 3.23Å; D180-A184 WeakPolarHBondContact O-CB 3.42Å; D180-A184 PolarHBondContact O-N 3.26Å; A184-K186 PolarHBondContact O-N 3.21Å; A184-H187 WeakPolarHBondContact O-CB 3.39Å; A184-H187 PolarHBondContact O-N 3.48Å; A184-H187 VanDerWaalsContact O-N 3.09Å
185A95.6Very high93.7Very high48 Ų4867.4 Ų67.440%0.39735%0.354SS..THydrogen-bonded Turntrans-66.5-16178.500000114.7I181 S183 H187 K226I181-A185 WeakPolarHBondContact O-CB 3.42Å; I181-A185 PolarHBondContact O-N 3.35Å; S183-A185 VanDerWaalsContact C-N 3.26Å; S183-A185 PolarHBondContact O-N 2.96Å; A185-H187 VanDerWaalsContact C-N 3.35Å; A185-K226 PolarHBondContact O-NZ 2.83Å
186K95.1Very high92.7Very high40 Ų4067.8 Ų67.817%0.17436%0.36CS..THydrogen-bonded Turntrans-79.9-18.2175.3-61.7172.4-175-171.30112.3S183 A184 F188 W223 E414 V416 S427 L429S183-K186 VanDerWaalsContact O-CB 3.25Å; S183-K186 WeakPolarHBondContact O-CB 3.31Å; S183-K186 PolarHBondContact O-N 2.83Å; S183-K186 VanDerWaalsContact O-N 3.07Å; A184-K186 PolarHBondContact O-N 3.21Å; K186-F188 VanDerWaalsContact O-CD1 3.29Å; K186-F188 WeakPolarHBondContact O-CD1 3.3Å; K186-F188 PolarHBondContact O-N 3.31Å; K186-W223 HydrophobicContact CB-CH2 4.43Å; K186-W223 HydrophobicContact CB-CZ3 3.91Å; K186-W223 HydrophobicContact CD-CH2 4.23Å; K186-W223 HydrophobicContact CD-CZ3 4.46Å; K186-W223 HydrophobicContact CG-CH2 4.33Å; K186-W223 HydrophobicContact CG-CZ3 4.07Å; K186-E414 WeakPolarHBondContact CD-OE2 3.3Å; K186-E414 WeakPolarHBondContact CE-OE2 3.36Å; K186-E414 IonicContact NZ-OE1 2.84Å; K186-E414 PolarHBondContact NZ-OE1 2.8Å; K186-E414 IonicContact NZ-OE2 3.26Å; K186-E414 PolarHBondContact NZ-OE2 2.83Å; K186-V416 HydrophobicContact CB-CG2 4.19Å; K186-V416 HydrophobicContact CD-CG2 4.32Å; K186-S427 VanDerWaalsContact O-CB 3.31Å; K186-S427 WeakPolarHBondContact O-CB 3.44Å; K186-S427 PolarHBondContact O-OG 3.49Å; K186-L429 HydrophobicContact CB-CD2 4.38Å
187H96Very high92.6Very high52 Ų5267.4 Ų67.424%0.24136%0.358CS..  trans-77.6115.5166.8-176.453.6000109.7V176 A184 A185 S427 L429V176-H187 HydrophobicContact CG2-CB 3.77Å; V176-H187 VanDerWaalsContact CG2-CD2 3.41Å; V176-H187 WeakPolarHBondContact CG2-CD2 3.3Å; A184-H187 WeakPolarHBondContact O-CB 3.39Å; A184-H187 PolarHBondContact O-N 3.48Å; A184-H187 VanDerWaalsContact O-N 3.09Å; A185-H187 VanDerWaalsContact C-N 3.35Å; H187-S427 WeakPolarHBondContact CA-O 3.47Å; H187-S427 PolarHBondContact ND1-O 3.41Å; H187-L429 HydrophobicContact CB-CD1 4.33Å; H187-L429 HydrophobicContact CB-CG 4.13Å
188F95.1Very high92.7Very high31 Ų3162.5 Ų62.514%0.13634%0.335CS..EExtended strand (participates in β ladder)trans-160.6156.5175.165.2-89.8000111.6K186 L190 W223 F425 S427K186-F188 VanDerWaalsContact O-CD1 3.29Å; K186-F188 WeakPolarHBondContact O-CD1 3.3Å; K186-F188 PolarHBondContact O-N 3.31Å; F188-L190 HydrophobicContact CD2-CD2 4.04Å; F188-L190 HydrophobicContact CD2-CG 4.05Å; F188-L190 HydrophobicContact CE2-CD1 4.09Å; F188-L190 HydrophobicContact CE2-CD2 4.04Å; F188-L190 HydrophobicContact CE2-CG 3.84Å; F188-W223 HydrophobicContact CE1-CE3 4.13Å; F188-W223 HydrophobicContact CZ-CB 4.48Å; F188-F425 HydrophobicContact CE2-CD1 4.28Å; F188-F425 HydrophobicContact CE2-CE1 4.02Å; F188-F425 HydrophobicContact CZ-CE1 4.13Å; F188-S427 PolarHBondContact N-O 3.39Å; F188-S427 PolarHBondContact O-N 3.26Å
189D94.6Very high92.7Very high87 Ų8765 Ų6547%0.46534%0.34SS..EExtended strand (participates in β ladder)trans-117.5135.1178.4-69.4-13.3000111F425 T426D189-F425 CarbonylContact C-O 3.52Å; D189-F425 WeakPolarHBondContact CA-O 3.43Å; D189-T426 HydrophobicContact CB-CG2 4.28Å; D189-T426 VanDerWaalsContact CG-CG2 3.45Å; D189-T426 WeakPolarHBondContact OD1-CA 3.43Å; D189-T426 WeakPolarHBondContact OD1-CB 2.99Å; D189-T426 WeakPolarHBondContact OD1-CG2 3.48Å
190L93.8Very high92.8Very high50 Ų5063.6 Ų63.626%0.26233%0.331SS..EExtended strand (participates in β ladder)trans-106.3108.9171.9-59.5179.5000109F188 L192 L211 L221 G424 F425F188-L190 HydrophobicContact CD2-CD2 4.04Å; F188-L190 HydrophobicContact CD2-CG 4.05Å; F188-L190 HydrophobicContact CE2-CD1 4.09Å; F188-L190 HydrophobicContact CE2-CD2 4.04Å; F188-L190 HydrophobicContact CE2-CG 3.84Å; L190-L192 HydrophobicContact CB-CD1 4.3Å; L190-L192 HydrophobicContact CB-CG 4.21Å; L190-L192 PolarHBondContact O-N 3.23Å; L190-L211 HydrophobicContact CD1-CD1 3.84Å; L190-L221 HydrophobicContact CD1-CD2 4.34Å; L190-G424 WeakPolarHBondContact O-CA 3.34Å; L190-F425 HydrophobicContact CB-CB 4.3Å; L190-F425 HydrophobicContact CD1-CB 4.48Å; L190-F425 HydrophobicContact CD1-CD1 3.92Å; L190-F425 HydrophobicContact CG-CD1 4.18Å; L190-F425 PolarHBondContact N-O 3.26Å; L190-F425 PolarHBondContact O-N 3.4Å
191N93.9Very high92.8Very high112 Ų11260.9 Ų60.960%0.59932%0.316SS*.EExtended strand (participates in β ladder)trans-83.691179.9-74.7-47.6000111.3
192L92.6Very high92.9Very high49 Ų4953.7 Ų53.726%0.25728%0.279SS..  trans-113.456.3-174.5-57.3175.1000112.2L190 Q194 Y198 G423L190-L192 HydrophobicContact CB-CD1 4.3Å; L190-L192 HydrophobicContact CB-CG 4.21Å; L190-L192 PolarHBondContact O-N 3.23Å; L192-Q194 PolarHBondContact O-N 3.28Å; L192-Q194 VanDerWaalsContact O-N 3.11Å; L192-Y198 HydrophobicContact CB-CD2 4.17Å; L192-Y198 HydrophobicContact CB-CE1 4.44Å; L192-Y198 HydrophobicContact CB-CE2 3.39Å; L192-Y198 WeakPolarHBondContact CB-OH 3.46Å; L192-Y198 HydrophobicContact CD1-CD1 4.17Å; L192-Y198 HydrophobicContact CD1-CE1 3.62Å; L192-Y198 HydrophobicContact CD1-CE2 4.05Å; L192-Y198 HydrophobicContact CG-CE2 4.37Å; L192-Y198 VanDerWaalsContact O-CE2 3.28Å; L192-Y198 WeakPolarHBondContact O-CE2 3.32Å; L192-G423 CarbonylContact C-O 3.54Å; L192-G423 PolarHBondContact N-O 3.43Å
193R88.7Confident92.8Very high199 Ų19951.3 Ų51.375%0.75126%0.258SS*.THydrogen-bonded Turntrans-65.4-19-170.6-60.1-178-176.7-174.50.8115.2
194Q89.3Confident92.7Very high139 Ų13956.3 Ų56.365%0.6527%0.272SS*.THydrogen-bonded Turntrans-77-42.4-169.7-63.6-178.96.300113.4L192 R215L192-Q194 PolarHBondContact O-N 3.28Å; L192-Q194 VanDerWaalsContact O-N 3.11Å; Q194-R215 WeakPolarHBondContact O-CD 3.45Å; Q194-R215 PolarHBondContact O-NH1 3.35Å
195F89.2Confident92.4Very high57 Ų5756.7 Ų56.725%0.2527%0.273CS..SBendtrans-98.716-168-58-72.7000114.9G213 R214 R215 H217F195-G213 CarbonylContact O-C 3.55Å; F195-R214 PolarHBondContact O-N 3.34Å; F195-R215 HydrophobicContact CB-CB 4.31Å; F195-R215 HydrophobicContact CD1-CB 4.39Å; F195-R215 VanDerWaalsContact O-CB 3.31Å; F195-R215 WeakPolarHBondContact O-CB 3.09Å; F195-R215 WeakPolarHBondContact O-CG 3.32Å; F195-R215 PolarHBondContact O-N 3.32Å; F195-H217 HydrophobicContact CB-CB 3.5Å; F195-H217 VanDerWaalsContact CB-CB 3.5Å; F195-H217 HydrophobicContact CD1-CB 4.22Å; F195-H217 HydrophobicContact CD2-CB 3.78Å; F195-H217 AromaticContact CD2-CD2 3.99Å; F195-H217 AromaticContact CD2-CG 3.94Å; F195-H217 HydrophobicContact CG-CB 3.56Å
196G75Confident92.2Very high14 Ų1454.6 Ų54.614%0.14426%0.256CS..  trans65.8178.9170.600000112.8Y198G196-Y198 WeakPolarHBondContact O-CD2 3.36Å; G196-Y198 VanDerWaalsContact O-CE2 3.28Å; G196-Y198 WeakPolarHBondContact O-CE2 3.47Å; G196-Y198 PolarHBondContact O-N 3.16Å
197P93.6Very high92.1Very high29 Ų2955.6 Ų55.619%0.18826%0.259CS..SBendtrans-55.3132.1-15623.1-34.8000112.8R214 H406P197-R214 HydrophobicContact CG-CB 4Å; P197-R214 PolarHBondContact O-N 3.11Å; P197-R214 VanDerWaalsContact O-N 3.14Å; P197-H406 HydrophobicContact CB-CB 3.86Å; P197-H406 WeakPolarHBondContact CB-CD2 3.22Å; P197-H406 WeakPolarHBondContact CB-NE2 3.42Å
198Y94.9Very high92Very high0 Ų055 Ų550%026%0.256CS..EExtended strand (participates in β ladder)trans-90.6136.2-177-79-98000110.8L192 G196 L211 G212 H217 G420 H421L192-Y198 HydrophobicContact CB-CD2 4.17Å; L192-Y198 HydrophobicContact CB-CE1 4.44Å; L192-Y198 HydrophobicContact CB-CE2 3.39Å; L192-Y198 WeakPolarHBondContact CB-OH 3.46Å; L192-Y198 HydrophobicContact CD1-CD1 4.17Å; L192-Y198 HydrophobicContact CD1-CE1 3.62Å; L192-Y198 HydrophobicContact CD1-CE2 4.05Å; L192-Y198 HydrophobicContact CG-CE2 4.37Å; L192-Y198 VanDerWaalsContact O-CE2 3.28Å; L192-Y198 WeakPolarHBondContact O-CE2 3.32Å; G196-Y198 WeakPolarHBondContact O-CD2 3.36Å; G196-Y198 VanDerWaalsContact O-CE2 3.28Å; G196-Y198 WeakPolarHBondContact O-CE2 3.47Å; G196-Y198 PolarHBondContact O-N 3.16Å; Y198-L211 HydrophobicContact CD1-CB 4.12Å; Y198-G212 WeakPolarHBondContact CA-O 3.24Å; Y198-H217 AromaticContact CE1-ND1 3.48Å; Y198-H217 WeakPolarHBondContact CE1-ND1 3.46Å; Y198-H217 AromaticContact CZ-ND1 3.77Å; Y198-H217 PolarHBondContact OH-ND1 3.13Å; Y198-H217 VanDerWaalsContact OH-ND1 3.16Å; Y198-G420 CarbonylContact O-C 3.49Å; Y198-G420 VanDerWaalsContact O-CA 3.3Å; Y198-G420 WeakPolarHBondContact O-CA 3.48Å; Y198-H421 PolarHBondContact N-O 3.37Å
199R94.7Very high92.1Very high75 Ų7553.6 Ų53.628%0.28325%0.25SC..EExtended strand (participates in β ladder)trans-101.9158.4158.8-68.9-159.6168.3162.30.5109.8L211 G212 R239 D240 H406R199-L211 WeakPolarHBondContact O-CA 3.28Å; R199-G212 PolarHBondContact N-O 3.46Å; R199-G212 PolarHBondContact O-N 2.76Å; R199-R239 PolarHBondContact NH1-O 2.99Å; R199-D240 WeakPolarHBondContact CD-OD1 3.24Å; R199-D240 IonicContact CZ-OD1 3.9Å; R199-D240 IonicContact NE-OD1 3.58Å; R199-D240 IonicContact NH1-OD1 2.96Å; R199-D240 PolarHBondContact NH1-OD1 2.96Å; R199-H406 WeakPolarHBondContact CG-O 3.29Å; R199-H406 PolarHBondContact NE-O 3.2Å
200L95.1Very high92.1Very high13 Ų1349.8 Ų49.87%0.06823%0.23CC..EExtended strand (participates in β ladder)trans-130.3155.2179.667.4126.9000111.5Y202 L209 A210 L211 Q409 F425L200-Y202 HydrophobicContact CD1-CD2 3.84Å; L200-Y202 HydrophobicContact CD1-CE2 3.65Å; L200-L209 HydrophobicContact CB-CD1 3.97Å; L200-L209 HydrophobicContact CD1-CD1 4.14Å; L200-A210 CarbonylContact C-O 3.46Å; L200-A210 VanDerWaalsContact CA-O 3.24Å; L200-A210 WeakPolarHBondContact CA-O 3.46Å; L200-L211 HydrophobicContact CB-CD2 3.78Å; L200-Q409 HydrophobicContact CD1-CB 3.68Å; L200-Q409 HydrophobicContact CG-CB 4.42Å; L200-F425 HydrophobicContact CB-CD2 4.44Å; L200-F425 HydrophobicContact CB-CE2 4.36Å; L200-F425 HydrophobicContact CD1-CE2 4.14Å; L200-F425 HydrophobicContact CD2-CD2 4.21Å; L200-F425 HydrophobicContact CD2-CE2 4.15Å; L200-F425 HydrophobicContact CG-CE2 4.45Å
201N95.2Very high92.2Very high14 Ų1447.4 Ų47.48%0.07522%0.218CC..EExtended strand (participates in β ladder)trans-141.9121166.8-154.6-70.8000110.4A210 I241 H242 F243N201-A210 HydrophobicContact CB-CB 4.46Å; N201-A210 PolarHBondContact N-O 2.78Å; N201-A210 PolarHBondContact O-N 3.45Å; N201-I241 HydrophobicContact CB-CG2 4.33Å; N201-I241 WeakPolarHBondContact CB-O 3.35Å; N201-I241 PolarHBondContact ND2-O 2.99Å; N201-I241 VanDerWaalsContact ND2-O 3.1Å; N201-H242 WeakPolarHBondContact ND2-CA 2.95Å; N201-H242 PolarHBondContact ND2-CD2 3.13Å; N201-F243 HydrophobicContact CB-CD2 4.3Å; N201-F243 HydrophobicContact CB-CE2 4.38Å; N201-F243 WeakPolarHBondContact O-CE2 3.45Å; N201-F243 WeakPolarHBondContact OD1-CD2 3.42Å
202Y95.3Very high92.2Very high4 Ų442.2 Ų42.22%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-82.8140.9168.5-76.3-73.9000110.9L200 L209 W223 Q409 C411L200-Y202 HydrophobicContact CD1-CD2 3.84Å; L200-Y202 HydrophobicContact CD1-CE2 3.65Å; Y202-L209 HydrophobicContact CD1-CB 4.19Å; Y202-L209 HydrophobicContact CD1-CD1 3.88Å; Y202-L209 HydrophobicContact CD2-CD1 4.35Å; Y202-L209 HydrophobicContact CE1-CB 4.07Å; Y202-L209 HydrophobicContact CE1-CD1 3.74Å; Y202-L209 HydrophobicContact CE1-CD2 4.35Å; Y202-L209 HydrophobicContact CE1-CG 4.27Å; Y202-L209 HydrophobicContact CE2-CD1 4.24Å; Y202-L209 HydrophobicContact CG-CD1 4.19Å; Y202-W223 AromaticContact CD1-NE1 3.98Å; Y202-W223 AromaticContact CE1-CD1 3.77Å; Y202-W223 HydrophobicContact CE1-CD2 4.07Å; Y202-W223 AromaticContact CE1-CE2 3.94Å; Y202-W223 AromaticContact CE1-CG 4Å; Y202-W223 HydrophobicContact CE1-CG 4Å; Y202-W223 AromaticContact CE1-NE1 3.71Å; Y202-Q409 HydrophobicContact CD2-CB 4.2Å; Y202-Q409 HydrophobicContact CD2-CG 4.27Å; Y202-C411 HydrophobicContact CD1-CB 4.43Å; Y202-C411 HydrophobicContact CD2-CB 4.4Å; Y202-C411 HydrophobicContact CE1-CB 4.23Å; Y202-C411 HydrophobicContact CE2-CB 4.2Å
203S93.3Very high92.4Very high13 Ų1339.9 Ų39.99%0.09118%0.179CC..  trans-60.8152.6168.470.10000110.2T205 G206 R207 H208S203-T205 PolarHBondContact O-N 2.64Å; S203-T205 VanDerWaalsContact O-N 3.09Å; S203-T205 PolarHBondContact OG-OG1 2.97Å; S203-G206 WeakPolarHBondContact O-CA 3.37Å; S203-G206 PolarHBondContact O-N 2.77Å; S203-R207 PolarHBondContact OG-N 3.02Å; S203-H208 PolarHBondContact N-O 3.35Å; S203-H208 PolarHBondContact OG-N 3.01Å; S203-H208 PolarHBondContact OG-O 3.35Å
204R89.6Confident92.6Very high138 Ų13836.9 Ų36.952%0.52117%0.168SC..THydrogen-bonded Turntrans-56-29.4177.7-69.3-178172.7-179.6-5.1113.9G206 L244 P412 F413R204-G206 VanDerWaalsContact C-N 3.28Å; R204-L244 VanDerWaalsContact NE-CD1 3.32Å; R204-P412 WeakPolarHBondContact O-CB 3.48Å; R204-F413 WeakPolarHBondContact O-CE2 3.47Å
205T90.6Very high92.8Very high26 Ų2638.3 Ų38.316%0.1617%0.167CC..THydrogen-bonded Turntrans-77.6-10.5175.254.90000113.8S203 R207 P445S203-T205 PolarHBondContact O-N 2.64Å; S203-T205 VanDerWaalsContact O-N 3.09Å; S203-T205 PolarHBondContact OG-OG1 2.97Å; T205-R207 PolarHBondContact O-N 3.39Å; T205-P445 WeakPolarHBondContact O-CG 3.39Å
206G91.5Very high93Very high5 Ų535.6 Ų35.65%0.05216%0.155CC..SBendtrans68.810.9-173.200000114.5S203 R204 W223 C411S203-G206 WeakPolarHBondContact O-CA 3.37Å; S203-G206 PolarHBondContact O-N 2.77Å; R204-G206 VanDerWaalsContact C-N 3.28Å; G206-W223 PolarHBondContact O-NE1 2.78Å; G206-C411 PolarHBondContact O-SG 2.8Å
207R92.1Very high93.9Very high60 Ų6035.4 Ų35.423%0.22615%0.15CC..SBendtrans-88.5-36.7-177.6-174.662.6-174.8-166.93.6113.9S203 T205 D222 W223S203-R207 PolarHBondContact OG-N 3.02Å; T205-R207 PolarHBondContact O-N 3.39Å; R207-D222 IonicContact CZ-OD1 2.66Å; R207-D222 IonicContact CZ-OD2 3.5Å; R207-D222 IonicContact NE-OD1 2.59Å; R207-D222 PolarHBondContact NE-OD1 3.3Å; R207-D222 IonicContact NE-OD2 3.59Å; R207-D222 PolarHBondContact NE-OD2 3.34Å; R207-D222 IonicContact NH2-OD1 2.75Å; R207-D222 PolarHBondContact NH2-OD1 2.83Å; R207-D222 IonicContact NH2-OD2 2.99Å; R207-D222 PolarHBondContact NH2-OD2 3.24Å; R207-W223 VanDerWaalsContact O-CD1 3.29Å
208H94.4Very high94Very high41 Ų4135.8 Ų35.819%0.1915%0.152CC..EExtended strand (participates in β ladder)trans-114145-174.7-58.3-53000110.5S203 L221 M229S203-H208 PolarHBondContact N-O 3.35Å; S203-H208 PolarHBondContact OG-N 3.01Å; S203-H208 PolarHBondContact OG-O 3.35Å; H208-L221 WeakPolarHBondContact CA-O 3.33Å; H208-M229 VanDerWaalsContact CE1-SD 3.58Å; H208-M229 PolarHBondContact ND1-SD 3.06Å
209L95.8Very high94.1Very high0 Ų036.1 Ų36.10%016%0.155CC..EExtended strand (participates in β ladder)trans-122127.7177.2175.562.5000108.5L200 Y202 L211 A220 L221 W223 F425L200-L209 HydrophobicContact CB-CD1 3.97Å; L200-L209 HydrophobicContact CD1-CD1 4.14Å; Y202-L209 HydrophobicContact CD1-CB 4.19Å; Y202-L209 HydrophobicContact CD1-CD1 3.88Å; Y202-L209 HydrophobicContact CD2-CD1 4.35Å; Y202-L209 HydrophobicContact CE1-CB 4.07Å; Y202-L209 HydrophobicContact CE1-CD1 3.74Å; Y202-L209 HydrophobicContact CE1-CD2 4.35Å; Y202-L209 HydrophobicContact CE1-CG 4.27Å; Y202-L209 HydrophobicContact CE2-CD1 4.24Å; Y202-L209 HydrophobicContact CG-CD1 4.19Å; L209-L211 HydrophobicContact CD1-CD2 4.26Å; L209-L211 HydrophobicContact CD2-CD1 4.46Å; L209-L211 HydrophobicContact CD2-CD2 4.14Å; L209-L211 HydrophobicContact CD2-CG 4.27Å; L209-L211 HydrophobicContact CG-CD2 4.15Å; L209-L211 HydrophobicContact CG-CG 4.17Å; L209-A220 CarbonylContact O-C 3.58Å; L209-A220 WeakPolarHBondContact O-CA 3.43Å; L209-L221 HydrophobicContact CB-CD1 4.18Å; L209-L221 HydrophobicContact CB-CG 4.46Å; L209-L221 HydrophobicContact CD2-CD1 4.27Å; L209-L221 PolarHBondContact N-O 2.87Å; L209-L221 PolarHBondContact O-N 3.48Å; L209-W223 HydrophobicContact CB-CB 3.88Å; L209-W223 HydrophobicContact CB-CG 4.2Å; L209-W223 HydrophobicContact CD2-CB 4.12Å; L209-F425 HydrophobicContact CD1-CE2 4.45Å; L209-F425 HydrophobicContact CD2-CD1 4.3Å; L209-F425 HydrophobicContact CD2-CE1 3.66Å; L209-F425 HydrophobicContact CD2-CE2 3.98Å; L209-F425 HydrophobicContact CD2-CZ 3.48Å; L209-F425 VanDerWaalsContact CD2-CZ 3.48Å
210A95.8Very high94.1Very high7 Ų733.8 Ų33.86%0.05815%0.152CC..EExtended strand (participates in β ladder)trans-103.9137.4168.200000109.8L200 N201 A219 I241 F243L200-A210 CarbonylContact C-O 3.46Å; L200-A210 VanDerWaalsContact CA-O 3.24Å; L200-A210 WeakPolarHBondContact CA-O 3.46Å; N201-A210 HydrophobicContact CB-CB 4.46Å; N201-A210 PolarHBondContact N-O 2.78Å; N201-A210 PolarHBondContact O-N 3.45Å; A210-A219 CarbonylContact C-O 3.53Å; A210-A219 WeakPolarHBondContact CA-O 3.41Å; A210-I241 HydrophobicContact CB-CG2 3.7Å; A210-F243 HydrophobicContact CB-CE2 3.93Å; A210-F243 HydrophobicContact CB-CZ 3.72Å
211L95.2Very high94.1Very high1 Ų134 Ų341%0.00515%0.153CC..EExtended strand (participates in β ladder)trans-125.6139.2-179.6-66.7178000109.7L190 Y198 R199 L200 L209 V218 A219 L221 I241 F425L190-L211 HydrophobicContact CD1-CD1 3.84Å; Y198-L211 HydrophobicContact CD1-CB 4.12Å; R199-L211 WeakPolarHBondContact O-CA 3.28Å; L200-L211 HydrophobicContact CB-CD2 3.78Å; L209-L211 HydrophobicContact CD1-CD2 4.26Å; L209-L211 HydrophobicContact CD2-CD1 4.46Å; L209-L211 HydrophobicContact CD2-CD2 4.14Å; L209-L211 HydrophobicContact CD2-CG 4.27Å; L209-L211 HydrophobicContact CG-CD2 4.15Å; L209-L211 HydrophobicContact CG-CG 4.17Å; L211-V218 WeakPolarHBondContact O-CA 3.23Å; L211-A219 PolarHBondContact N-O 3.01Å; L211-A219 PolarHBondContact O-N 3.41Å; L211-L221 HydrophobicContact CD1-CD2 4.16Å; L211-I241 WeakPolarHBondContact O-CD1 3.45Å; L211-F425 HydrophobicContact CD1-CB 4.24Å; L211-F425 HydrophobicContact CD1-CG 4.36Å; L211-F425 HydrophobicContact CD2-CB 4.09Å; L211-F425 HydrophobicContact CD2-CD2 3.69Å; L211-F425 HydrophobicContact CD2-CE2 4.29Å; L211-F425 HydrophobicContact CD2-CG 3.89Å
212G95.4Very high94.1Very high3 Ų334.2 Ų34.23%0.03115%0.154CC..EExtended strand (participates in β ladder)trans-138.9107.8-177.300000112.3Y198 R199 H217Y198-G212 WeakPolarHBondContact CA-O 3.24Å; R199-G212 PolarHBondContact N-O 3.46Å; R199-G212 PolarHBondContact O-N 2.76Å; G212-H217 CarbonylContact C-O 3.57Å; G212-H217 WeakPolarHBondContact CA-O 3.44Å
213G95.5Very high94Very high0 Ų034 Ų340%015%0.153CC..EExtended strand (participates in β ladder)trans-79.4135.3171.700000110.7F195 R215 G216 H217 V238F195-G213 CarbonylContact O-C 3.55Å; G213-R215 PolarHBondContact O-N 2.92Å; G213-G216 PolarHBondContact O-N 2.99Å; G213-H217 PolarHBondContact N-O 3.23Å; G213-V238 WeakPolarHBondContact O-CB 3.38Å
214R93.6Very high94Very high136 Ų13635.8 Ų35.851%0.51316%0.163SC..THydrogen-bonded Turntrans-54.6-22-179.6-174.5174.7176.6-170.8-1.2114.3F195 P197 A237 V238F195-R214 PolarHBondContact O-N 3.34Å; P197-R214 HydrophobicContact CG-CB 4Å; P197-R214 PolarHBondContact O-N 3.11Å; P197-R214 VanDerWaalsContact O-N 3.14Å; R214-A237 VanDerWaalsContact O-CA 3.23Å; R214-A237 WeakPolarHBondContact O-CA 3.47Å; R214-V238 WeakPolarHBondContact CA-O 3.28Å; R214-V238 PolarHBondContact O-N 2.74Å
215R93.3Very high94.1Very high168 Ų16832.9 Ų32.963%0.63416%0.161SC*.THydrogen-bonded Turntrans-91.36.8-179.3-60.4-18065.6-174.66.7114.9Q194 F195 G213Q194-R215 WeakPolarHBondContact O-CD 3.45Å; Q194-R215 PolarHBondContact O-NH1 3.35Å; F195-R215 HydrophobicContact CB-CB 4.31Å; F195-R215 HydrophobicContact CD1-CB 4.39Å; F195-R215 VanDerWaalsContact O-CB 3.31Å; F195-R215 WeakPolarHBondContact O-CB 3.09Å; F195-R215 WeakPolarHBondContact O-CG 3.32Å; F195-R215 PolarHBondContact O-N 3.32Å; G213-R215 PolarHBondContact O-N 2.92Å
216G92.6Very high94.3Very high0 Ų037.2 Ų37.20%018%0.178CC..SBendtrans118.8-12173.700000115.4G213 V218 N233 V234 E236G213-G216 PolarHBondContact O-N 2.99Å; G216-V218 PolarHBondContact O-N 3.27Å; G216-N233 VanDerWaalsContact C-OD1 3.31Å; G216-N233 WeakPolarHBondContact O-CA 3.39Å; G216-N233 PolarHBondContact O-OD1 3.33Å; G216-V234 PolarHBondContact O-N 2.71Å; G216-E236 WeakPolarHBondContact CA-O 3.38Å; G216-E236 PolarHBondContact N-O 3.4Å
217H95.5Very high94.4Very high10 Ų1044 Ų445%0.04621%0.206CC..EExtended strand (participates in β ladder)trans-73.2125.1179.7-175.5-98.8000110.9F195 Y198 G212 G213 E231F195-H217 HydrophobicContact CB-CB 3.5Å; F195-H217 VanDerWaalsContact CB-CB 3.5Å; F195-H217 HydrophobicContact CD1-CB 4.22Å; F195-H217 HydrophobicContact CD2-CB 3.78Å; F195-H217 AromaticContact CD2-CD2 3.99Å; F195-H217 AromaticContact CD2-CG 3.94Å; F195-H217 HydrophobicContact CG-CB 3.56Å; Y198-H217 AromaticContact CE1-ND1 3.48Å; Y198-H217 WeakPolarHBondContact CE1-ND1 3.46Å; Y198-H217 AromaticContact CZ-ND1 3.77Å; Y198-H217 PolarHBondContact OH-ND1 3.13Å; Y198-H217 VanDerWaalsContact OH-ND1 3.16Å; G212-H217 CarbonylContact C-O 3.57Å; G212-H217 WeakPolarHBondContact CA-O 3.44Å; G213-H217 PolarHBondContact N-O 3.23Å; H217-E231 IonicContact CD2-OE1 3.23Å; H217-E231 IonicContact CE1-OE1 2.74Å; H217-E231 IonicContact NE2-OE1 2.7Å; H217-E231 PolarHBondContact NE2-OE1 2.95Å
218V95.6Very high94.6Very high38 Ų3845.1 Ų45.123%0.2322%0.216CC..EExtended strand (participates in β ladder)trans-129.5123.9175.9178.80000108.4L211 G216 E231 I232 V234 V238 I241L211-V218 WeakPolarHBondContact O-CA 3.23Å; G216-V218 PolarHBondContact O-N 3.27Å; V218-E231 WeakPolarHBondContact O-CA 3.34Å; V218-I232 PolarHBondContact N-O 3.14Å; V218-I232 PolarHBondContact O-N 2.98Å; V218-V234 HydrophobicContact CG2-CG2 3.94Å; V218-V238 HydrophobicContact CG2-CG2 3.84Å; V218-I241 HydrophobicContact CB-CD1 4.47Å; V218-I241 HydrophobicContact CG1-CD1 3.85Å; V218-I241 HydrophobicContact CG2-CD1 4.1Å
219A95.2Very high94.6Very high6 Ų648.3 Ų48.35%0.0523%0.232CC..EExtended strand (participates in β ladder)trans-129.6141.4177.400000110.6A210 L211 L228 C230A210-A219 CarbonylContact C-O 3.53Å; A210-A219 WeakPolarHBondContact CA-O 3.41Å; L211-A219 PolarHBondContact N-O 3.01Å; L211-A219 PolarHBondContact O-N 3.41Å; A219-L228 HydrophobicContact CB-CD1 4.21Å; A219-C230 CarbonylContact C-O 3.43Å; A219-C230 VanDerWaalsContact CA-O 3.32Å; A219-C230 WeakPolarHBondContact CA-O 3.21Å
220A95.9Very high94.5Very high27 Ų2751 Ų5122%0.22325%0.25CS..EExtended strand (participates in β ladder)trans-123.7130.4169.100000108.5L209 M229 C230L209-A220 CarbonylContact O-C 3.58Å; L209-A220 WeakPolarHBondContact O-CA 3.43Å; A220-M229 WeakPolarHBondContact O-CA 3.28Å; A220-M229 WeakPolarHBondContact O-CB 3.45Å; A220-M229 PolarHBondContact O-N 3.42Å; A220-C230 HydrophobicContact CB-CB 4.3Å; A220-C230 PolarHBondContact N-O 3.04Å; A220-C230 PolarHBondContact O-N 2.77Å
221L95.3Very high94.4Very high18 Ų1856.2 Ų56.29%0.09427%0.273CS..EExtended strand (participates in β ladder)trans-141.7150.1-175.86191.3000111.3L190 H208 L209 L211 W223 K227 L228L190-L221 HydrophobicContact CD1-CD2 4.34Å; H208-L221 WeakPolarHBondContact CA-O 3.33Å; L209-L221 HydrophobicContact CB-CD1 4.18Å; L209-L221 HydrophobicContact CB-CG 4.46Å; L209-L221 HydrophobicContact CD2-CD1 4.27Å; L209-L221 PolarHBondContact N-O 2.87Å; L209-L221 PolarHBondContact O-N 3.48Å; L211-L221 HydrophobicContact CD1-CD2 4.16Å; L221-W223 HydrophobicContact CD1-CB 3.44Å; L221-W223 VanDerWaalsContact CD1-CB 3.44Å; L221-W223 PolarHBondContact O-N 3.45Å; L221-K227 CarbonylContact C-O 3.49Å; L221-K227 WeakPolarHBondContact CA-O 3.11Å; L221-L228 HydrophobicContact CB-CD1 4.27Å
222D94.9Very high94.5Very high18 Ų1860.6 Ų60.610%0.09630%0.296CS..EExtended strand (participates in β ladder)trans-78.7104.7162.1180-40.9000106.6R207 V224 T225 K226 K227R207-D222 IonicContact CZ-OD1 2.66Å; R207-D222 IonicContact CZ-OD2 3.5Å; R207-D222 IonicContact NE-OD1 2.59Å; R207-D222 PolarHBondContact NE-OD1 3.3Å; R207-D222 IonicContact NE-OD2 3.59Å; R207-D222 PolarHBondContact NE-OD2 3.34Å; R207-D222 IonicContact NH2-OD1 2.75Å; R207-D222 PolarHBondContact NH2-OD1 2.83Å; R207-D222 IonicContact NH2-OD2 2.99Å; R207-D222 PolarHBondContact NH2-OD2 3.24Å; D222-V224 PolarHBondContact OD1-N 3.09Å; D222-T225 WeakPolarHBondContact CB-OG1 3.48Å; D222-T225 PolarHBondContact OD1-N 3.27Å; D222-T225 PolarHBondContact OD1-OG1 2.86Å; D222-T225 PolarHBondContact OD2-OG1 3.48Å; D222-K226 CarbonylContact O-C 3.57Å; D222-K226 WeakPolarHBondContact O-CA 3.42Å; D222-K226 PolarHBondContact O-N 3.46Å; D222-K227 HydrophobicContact CB-CB 4.46Å; D222-K227 PolarHBondContact N-O 3.33Å; D222-K227 PolarHBondContact O-N 2.84Å
223W93.7Very high94.4Very high0 Ų064 Ų640%031%0.313CS..THydrogen-bonded Turntrans-78.6-25.7-166.370.6-86.2000112.7K186 F188 Y202 G206 R207 L209 L221 C411 E414 V416K186-W223 HydrophobicContact CB-CH2 4.43Å; K186-W223 HydrophobicContact CB-CZ3 3.91Å; K186-W223 HydrophobicContact CD-CH2 4.23Å; K186-W223 HydrophobicContact CD-CZ3 4.46Å; K186-W223 HydrophobicContact CG-CH2 4.33Å; K186-W223 HydrophobicContact CG-CZ3 4.07Å; F188-W223 HydrophobicContact CE1-CE3 4.13Å; F188-W223 HydrophobicContact CZ-CB 4.48Å; Y202-W223 AromaticContact CD1-NE1 3.98Å; Y202-W223 AromaticContact CE1-CD1 3.77Å; Y202-W223 HydrophobicContact CE1-CD2 4.07Å; Y202-W223 AromaticContact CE1-CE2 3.94Å; Y202-W223 AromaticContact CE1-CG 4Å; Y202-W223 HydrophobicContact CE1-CG 4Å; Y202-W223 AromaticContact CE1-NE1 3.71Å; G206-W223 PolarHBondContact O-NE1 2.78Å; R207-W223 VanDerWaalsContact O-CD1 3.29Å; L209-W223 HydrophobicContact CB-CB 3.88Å; L209-W223 HydrophobicContact CB-CG 4.2Å; L209-W223 HydrophobicContact CD2-CB 4.12Å; L221-W223 HydrophobicContact CD1-CB 3.44Å; L221-W223 VanDerWaalsContact CD1-CB 3.44Å; L221-W223 PolarHBondContact O-N 3.45Å; W223-C411 HydrophobicContact CZ2-CB 4.27Å; W223-C411 WeakPolarHBondContact CZ2-SG 3.47Å; W223-E414 WeakPolarHBondContact CH2-OE2 3.27Å; W223-E414 WeakPolarHBondContact CZ2-OE2 3.33Å; W223-V416 HydrophobicContact CH2-CB 4.26Å; W223-V416 HydrophobicContact CH2-CG1 4.31Å; W223-V416 HydrophobicContact CH2-CG2 3.9Å; W223-V416 HydrophobicContact CZ3-CG1 4.27Å; W223-V416 HydrophobicContact CZ3-CG2 4.28Å
224V92.3Very high94.3Very high50 Ų5067.4 Ų67.430%0.30333%0.334SS..THydrogen-bonded Turntrans-67.8-48.1174.5-178.40000109.9D222 K226D222-V224 PolarHBondContact OD1-N 3.09Å; V224-K226 VanDerWaalsContact C-N 3.34Å
225T92.8Very high94.1Very high76 Ų7668.9 Ų68.947%0.46635%0.349SS..THydrogen-bonded Turntrans-86.2-7.1178.258.70000113.7D222 K227D222-T225 WeakPolarHBondContact CB-OG1 3.48Å; D222-T225 PolarHBondContact OD1-N 3.27Å; D222-T225 PolarHBondContact OD1-OG1 2.86Å; D222-T225 PolarHBondContact OD2-OG1 3.48Å; T225-K227 PolarHBondContact O-N 3.18Å
226K93.8Very high94.1Very high118 Ų11867.8 Ų67.851%0.51335%0.351SS..THydrogen-bonded Turntrans58.725.1-175.8-55.6165.8-174.3176.10112.6A185 D222 V224A185-K226 PolarHBondContact O-NZ 2.83Å; D222-K226 CarbonylContact O-C 3.57Å; D222-K226 WeakPolarHBondContact O-CA 3.42Å; D222-K226 PolarHBondContact O-N 3.46Å; V224-K226 VanDerWaalsContact C-N 3.34Å
227K95Very high94Very high147 Ų14770.7 Ų70.764%0.63938%0.375SS*.EExtended strand (participates in β ladder)trans-89.4118.6-179.8-176.3177.2178.5177.40110.3L221 D222 T225 M229L221-K227 CarbonylContact C-O 3.49Å; L221-K227 WeakPolarHBondContact CA-O 3.11Å; D222-K227 HydrophobicContact CB-CB 4.46Å; D222-K227 PolarHBondContact N-O 3.33Å; D222-K227 PolarHBondContact O-N 2.84Å; T225-K227 PolarHBondContact O-N 3.18Å; K227-M229 PolarHBondContact O-N 2.77Å
228L95.2Very high93.8Very high84 Ų8471.5 Ų71.544%0.4438%0.38SS..EExtended strand (participates in β ladder)trans-66.9128.5172.2-171.368.2000110.2A219 L221 E231A219-L228 HydrophobicContact CB-CD1 4.21Å; L221-L228 HydrophobicContact CB-CD1 4.27Å; L228-E231 HydrophobicContact CD1-CB 4.29Å; L228-E231 HydrophobicContact CD2-CB 3.87Å; L228-E231 WeakPolarHBondContact CD2-OE2 3.45Å; L228-E231 HydrophobicContact CG-CB 4.42Å
229M93.6Very high93.5Very high108 Ų10876.1 Ų76.153%0.53239%0.394SS..EExtended strand (participates in β ladder)trans-96.2-43.4175.3-61.8178.562.700111.1H208 A220 K227H208-M229 VanDerWaalsContact CE1-SD 3.58Å; H208-M229 PolarHBondContact ND1-SD 3.06Å; A220-M229 WeakPolarHBondContact O-CA 3.28Å; A220-M229 WeakPolarHBondContact O-CB 3.45Å; A220-M229 PolarHBondContact O-N 3.42Å; K227-M229 PolarHBondContact O-N 2.77Å
230C94Very high93Very high56 Ų5680.1 Ų80.138%0.37841%0.414SS..EExtended strand (participates in β ladder)trans-151140.4-175.3-172.90000109.4A219 A220 I232A219-C230 CarbonylContact C-O 3.43Å; A219-C230 VanDerWaalsContact CA-O 3.32Å; A219-C230 WeakPolarHBondContact CA-O 3.21Å; A220-C230 HydrophobicContact CB-CB 4.3Å; A220-C230 PolarHBondContact N-O 3.04Å; A220-C230 PolarHBondContact O-N 2.77Å; C230-I232 WeakPolarHBondContact SG-CD1 3.37Å
231E95.3Very high92.6Very high116 Ų11680.1 Ų80.154%0.54241%0.41SS..EExtended strand (participates in β ladder)trans-141.7125.3171178.7172.8-16100108.3H217 V218 L228H217-E231 IonicContact CD2-OE1 3.23Å; H217-E231 IonicContact CE1-OE1 2.74Å; H217-E231 IonicContact NE2-OE1 2.7Å; H217-E231 PolarHBondContact NE2-OE1 2.95Å; V218-E231 WeakPolarHBondContact O-CA 3.34Å; L228-E231 HydrophobicContact CD1-CB 4.29Å; L228-E231 HydrophobicContact CD2-CB 3.87Å; L228-E231 WeakPolarHBondContact CD2-OE2 3.45Å; L228-E231 HydrophobicContact CG-CB 4.42Å
232I95.4Very high92.1Very high93 Ų9383.9 Ų83.948%0.47743%0.427SS..EExtended strand (participates in β ladder)trans-139.3142-174.9-58173.1000107.8V218 C230 V234V218-I232 PolarHBondContact N-O 3.14Å; V218-I232 PolarHBondContact O-N 2.98Å; C230-I232 WeakPolarHBondContact SG-CD1 3.37Å; I232-V234 HydrophobicContact CG2-CG2 4.35Å
233N95.1Very high91.2Very high75 Ų7587.9 Ų87.940%0.40144%0.444SS..EExtended strand (participates in β ladder)trans-108.8112.9166.6-170.89.3000109.4G216 M235G216-N233 VanDerWaalsContact C-OD1 3.31Å; G216-N233 WeakPolarHBondContact O-CA 3.39Å; G216-N233 PolarHBondContact O-OD1 3.33Å; N233-M235 VanDerWaalsContact C-N 3.28Å; N233-M235 PolarHBondContact O-N 3.25Å; N233-M235 PolarHBondContact OD1-N 3.22Å
234V92.3Very high90Very high72 Ų7291.3 Ų91.344%0.43646%0.462SS..  trans-80.1-11.6-175.7-1730000111.7G216 V218 I232 E236G216-V234 PolarHBondContact O-N 2.71Å; V218-V234 HydrophobicContact CG2-CG2 3.94Å; I232-V234 HydrophobicContact CG2-CG2 4.35Å; V234-E236 HydrophobicContact CG1-CB 4.37Å; V234-E236 PolarHBondContact O-N 3.29Å
235M90.3Very high89Confident167 Ų16792.4 Ų92.482%0.82347%0.465SS*.SBendtrans579-176.5-52-169.9-165.500115.2N233N233-M235 VanDerWaalsContact C-N 3.28Å; N233-M235 PolarHBondContact O-N 3.25Å; N233-M235 PolarHBondContact OD1-N 3.22Å
236E91.8Very high88.6Confident145 Ų14589.9 Ų89.968%0.67845%0.452SS*.SBendtrans-123.1169.1175.7-67.2-169.8167.600111.1G216 V234 V238G216-E236 WeakPolarHBondContact CA-O 3.38Å; G216-E236 PolarHBondContact N-O 3.4Å; V234-E236 HydrophobicContact CG1-CB 4.37Å; V234-E236 PolarHBondContact O-N 3.29Å; E236-V238 PolarHBondContact O-N 2.87Å
237A91Very high88.3Confident61 Ų6186.9 Ų86.950%0.50444%0.444SS..  trans-76.3108.5-17800000112.2R214 R239R214-A237 VanDerWaalsContact O-CA 3.23Å; R214-A237 WeakPolarHBondContact O-CA 3.47Å; A237-R239 PolarHBondContact O-N 3.37Å
238V91.8Very high88Confident26 Ų2682 Ų8216%0.15843%0.427CS..  trans-75.3118.8172.9-172.60000109.4G213 R214 V218 E236 I241G213-V238 WeakPolarHBondContact O-CB 3.38Å; R214-V238 WeakPolarHBondContact CA-O 3.28Å; R214-V238 PolarHBondContact O-N 2.74Å; V218-V238 HydrophobicContact CG2-CG2 3.84Å; E236-V238 PolarHBondContact O-N 2.87Å; V238-I241 HydrophobicContact CG1-CD1 4.18Å; V238-I241 HydrophobicContact CG1-CG1 3.81Å
239R88.5Confident87.7Confident136 Ų13679.6 Ų79.651%0.51342%0.417SS..  trans-90.9-40179.5-63.9-57.9-172.3122.26.2112.6R199 A237R199-R239 PolarHBondContact NH1-O 2.99Å; A237-R239 PolarHBondContact O-N 3.37Å
240D86.5Confident87.2Confident90 Ų9079.7 Ų79.748%0.48142%0.416SS..  trans-155.4157.8-178.2-148.232.6000110.5R199R199-D240 WeakPolarHBondContact CD-OD1 3.24Å; R199-D240 IonicContact CZ-OD1 3.9Å; R199-D240 IonicContact NE-OD1 3.58Å; R199-D240 IonicContact NH1-OD1 2.96Å; R199-D240 PolarHBondContact NH1-OD1 2.96Å
241I87.4Confident86.9Confident26 Ų2682.1 Ų82.113%0.13343%0.429CS..  trans-131.1128.5174-68.7-170.4000109.1N201 A210 L211 V218 V238N201-I241 HydrophobicContact CB-CG2 4.33Å; N201-I241 WeakPolarHBondContact CB-O 3.35Å; N201-I241 PolarHBondContact ND2-O 2.99Å; N201-I241 VanDerWaalsContact ND2-O 3.1Å; A210-I241 HydrophobicContact CB-CG2 3.7Å; L211-I241 WeakPolarHBondContact O-CD1 3.45Å; V218-I241 HydrophobicContact CB-CD1 4.47Å; V218-I241 HydrophobicContact CG1-CD1 3.85Å; V218-I241 HydrophobicContact CG2-CD1 4.1Å; V238-I241 HydrophobicContact CG1-CD1 4.18Å; V238-I241 HydrophobicContact CG1-CG1 3.81Å
242H84.1Confident86.5Confident97 Ų9776.6 Ų76.645%0.44940%0.403SS..  trans-148.5143.2178.6-162.1-87.8000111.1N201 L244N201-H242 WeakPolarHBondContact ND2-CA 2.95Å; N201-H242 PolarHBondContact ND2-CD2 3.13Å; H242-L244 PolarHBondContact ND1-N 3.4Å; H242-L244 PolarHBondContact ND1-O 3.13Å
243F75.8Confident86.4Confident103 Ų10376.1 Ų76.145%0.45240%0.398SS..SBendtrans-78.6-14.8-178.6-78-73.6000114.4N201 A210N201-F243 HydrophobicContact CB-CD2 4.3Å; N201-F243 HydrophobicContact CB-CE2 4.38Å; N201-F243 WeakPolarHBondContact O-CE2 3.45Å; N201-F243 WeakPolarHBondContact OD1-CD2 3.42Å; A210-F243 HydrophobicContact CB-CE2 3.93Å; A210-F243 HydrophobicContact CB-CZ 3.72Å
244L67.8Low86.3Confident72 Ų7272.5 Ų72.538%0.37738%0.379SS..SBendtrans-135.6155.3-175.8-63.2169.6000111.9R204 H242R204-L244 VanDerWaalsContact NE-CD1 3.32Å; H242-L244 PolarHBondContact ND1-N 3.4Å; H242-L244 PolarHBondContact ND1-O 3.13Å
245L72.5Confident86.3Confident73 Ų7370.7 Ų70.738%0.38237%0.368SS..  trans-118.884.2-156.9-139.8142.3000115.2T247 L257 V259L245-T247 HydrophobicContact CD2-CG2 3.42Å; L245-T247 VanDerWaalsContact CD2-CG2 3.42Å; L245-T247 HydrophobicContact CG-CG2 3.82Å; L245-L257 HydrophobicContact CB-CB 4.23Å; L245-L257 HydrophobicContact CB-CD2 4.46Å; L245-L257 HydrophobicContact CD1-CD2 3.9Å; L245-L257 HydrophobicContact CD2-CB 3.33Å; L245-L257 HydrophobicContact CD2-CD2 3.69Å; L245-L257 HydrophobicContact CD2-CG 4.12Å; L245-L257 HydrophobicContact CG-CB 4.29Å; L245-L257 HydrophobicContact CG-CD2 4.21Å; L245-L257 PolarHBondContact O-N 3.47Å; L245-V259 HydrophobicContact CB-CG2 3.77Å
246A83.3Confident86.4Confident22 Ų2263.8 Ų63.818%0.18233%0.333CS..EExtended strand (participates in β ladder)trans-104.6133.7141.800000106.6Y256 I287A246-Y256 HydrophobicContact CB-CD1 4.29Å; A246-Y256 HydrophobicContact CB-CE1 4.33Å; A246-I287 HydrophobicContact CB-CD1 4.06Å; A246-I287 HydrophobicContact CB-CG1 4.23Å
247T88.6Confident86.4Confident56 Ų5659.5 Ų59.534%0.34431%0.314SS..EExtended strand (participates in β ladder)trans-128.8144.5-177.855.80000111.7L245 T255L245-T247 HydrophobicContact CD2-CG2 3.42Å; L245-T247 VanDerWaalsContact CD2-CG2 3.42Å; L245-T247 HydrophobicContact CG-CG2 3.82Å; T247-T255 PolarHBondContact N-O 3.39Å; T247-T255 PolarHBondContact O-N 2.82Å; T247-T255 PolarHBondContact OG1-OG1 3.11Å
248T89Confident86.4Confident45 Ų4558.1 Ų58.128%0.27630%0.298SS..EExtended strand (participates in β ladder)trans-107.6136.7172.651.70000109.5L254 L275 M278 L289T248-L254 HydrophobicContact CG2-CD1 3.9Å; T248-L275 HydrophobicContact CG2-CB 4.21Å; T248-L275 HydrophobicContact CG2-CD1 4.11Å; T248-M278 HydrophobicContact CG2-CB 4.46Å; T248-M278 HydrophobicContact CG2-CG 4.49Å; T248-M278 HydrophobicContact CG2-SD 3.79Å; T248-L289 HydrophobicContact CG2-CD2 3.56Å
249S87.1Confident86.3Confident33 Ų3361.3 Ų61.323%0.23132%0.318CS..  trans-95.5154.4172.562.70000110.8T251 G252 F253S249-T251 WeakPolarHBondContact CB-OG1 3.38Å; S249-T251 PolarHBondContact O-N 3.13Å; S249-T251 PolarHBondContact OG-OG1 2.88Å; S249-G252 PolarHBondContact O-N 2.94Å; S249-G252 VanDerWaalsContact O-N 3.13Å; S249-G252 PolarHBondContact OG-N 3.23Å; S249-F253 PolarHBondContact N-O 2.92Å; S249-F253 WeakPolarHBondContact OG-CA 3.31Å; S249-F253 VanDerWaalsContact OG-CB 3.3Å; S249-F253 WeakPolarHBondContact OG-CB 3.48Å; S249-F253 PolarHBondContact OG-N 2.83Å; S249-F253 PolarHBondContact OG-O 2.88Å
250E84.6Confident86.4Confident110 Ų11058 Ų5851%0.51432%0.315SS..THydrogen-bonded Turntrans-62.6-26.4171.4-176.2152-172.900112G252 R274E250-G252 PolarHBondContact O-N 3.03Å; E250-R274 HydrophobicContact CG-CG 4.15Å; E250-R274 IonicContact OE1-CZ 2.77Å; E250-R274 IonicContact OE1-NE 3.01Å; E250-R274 PolarHBondContact OE1-NE 3.27Å; E250-R274 IonicContact OE1-NH1 3.77Å; E250-R274 PolarHBondContact OE1-NH1 3.13Å; E250-R274 IonicContact OE1-NH2 2.97Å; E250-R274 PolarHBondContact OE1-NH2 3.26Å; E250-R274 IonicContact OE2-CZ 3.67Å; E250-R274 IonicContact OE2-NH2 2.68Å; E250-R274 PolarHBondContact OE2-NH2 3.3Å
251T86.1Confident86.5Confident106 Ų10657.6 Ų57.665%0.6532%0.316SS*.THydrogen-bonded Turntrans-74.1-1.5175.646.40000114.6S249S249-T251 WeakPolarHBondContact CB-OG1 3.38Å; S249-T251 PolarHBondContact O-N 3.13Å; S249-T251 PolarHBondContact OG-OG1 2.88Å
252G88.3Confident86.6Confident1 Ų159.1 Ų59.11%0.0134%0.338CS..SBendtrans8714.8175.700000115.3S249 E250 V270 G273S249-G252 PolarHBondContact O-N 2.94Å; S249-G252 VanDerWaalsContact O-N 3.13Å; S249-G252 PolarHBondContact OG-N 3.23Å; E250-G252 PolarHBondContact O-N 3.03Å; G252-V270 WeakPolarHBondContact O-CB 3.35Å; G252-V270 PolarHBondContact O-N 2.95Å; G252-V270 VanDerWaalsContact O-N 3.07Å; G252-G273 VanDerWaalsContact CA-O 3.24Å; G252-G273 WeakPolarHBondContact CA-O 3.4Å
253F92Very high86.9Confident82 Ų8261.2 Ų61.236%0.3635%0.345SS..EExtended strand (participates in β ladder)trans-91.7136169.8-65.2-94.8000111.1S249 T255 L268 N269S249-F253 PolarHBondContact N-O 2.92Å; S249-F253 WeakPolarHBondContact OG-CA 3.31Å; S249-F253 VanDerWaalsContact OG-CB 3.3Å; S249-F253 WeakPolarHBondContact OG-CB 3.48Å; S249-F253 PolarHBondContact OG-N 2.83Å; S249-F253 PolarHBondContact OG-O 2.88Å; F253-T255 HydrophobicContact CB-CG2 4.46Å; F253-L268 CarbonylContact C-O 3.37Å; F253-L268 VanDerWaalsContact CA-O 3.3Å; F253-L268 WeakPolarHBondContact CA-O 3.49Å; F253-N269 HydrophobicContact CD1-CB 4.08Å; F253-N269 HydrophobicContact CE1-CB 3.82Å; F253-N269 HydrophobicContact CZ-CB 4.5Å
254L93.3Very high87.7Confident0 Ų061.7 Ų61.70%035%0.352CS..EExtended strand (participates in β ladder)trans-99.6120165.4174.866000107.9T248 Y256 L268 V270 I287 L289 W299T248-L254 HydrophobicContact CG2-CD1 3.9Å; L254-Y256 HydrophobicContact CD2-CE2 3.57Å; L254-Y256 HydrophobicContact CG-CD2 4.37Å; L254-Y256 HydrophobicContact CG-CE2 3.78Å; L254-L268 HydrophobicContact CB-CB 4.47Å; L254-L268 PolarHBondContact N-O 2.82Å; L254-L268 PolarHBondContact O-N 2.91Å; L254-V270 HydrophobicContact CB-CG2 4Å; L254-I287 HydrophobicContact CD1-CG2 4.31Å; L254-L289 HydrophobicContact CB-CD1 4.26Å; L254-L289 HydrophobicContact CD1-CD1 4.49Å; L254-L289 HydrophobicContact CD2-CD1 4.06Å; L254-W299 HydrophobicContact CD2-CB 3.54Å; L254-W299 HydrophobicContact CD2-CD2 4.37Å; L254-W299 HydrophobicContact CD2-CG 3.81Å
255T92.7Very high88.9Confident34 Ų3461.5 Ų61.521%0.20935%0.353CS..EExtended strand (participates in β ladder)trans-114.8130.9178.676.40000110.9T247 F253 T266 A267T247-T255 PolarHBondContact N-O 3.39Å; T247-T255 PolarHBondContact O-N 2.82Å; T247-T255 PolarHBondContact OG1-OG1 3.11Å; F253-T255 HydrophobicContact CB-CG2 4.46Å; T255-T266 WeakPolarHBondContact CA-O 3.29Å; T255-A267 HydrophobicContact CG2-CB 4.03Å
256Y92.8Very high89.7Confident22 Ų2259.8 Ų59.89%0.08635%0.346CS..EExtended strand (participates in β ladder)trans-100117.7173.5-69.7-91.5000108.1A246 L254 V265 T266 L268 I287 W299 P301A246-Y256 HydrophobicContact CB-CD1 4.29Å; A246-Y256 HydrophobicContact CB-CE1 4.33Å; L254-Y256 HydrophobicContact CD2-CE2 3.57Å; L254-Y256 HydrophobicContact CG-CD2 4.37Å; L254-Y256 HydrophobicContact CG-CE2 3.78Å; Y256-V265 PolarHBondContact O-N 3.07Å; Y256-T266 WeakPolarHBondContact CD2-OG1 3.25Å; Y256-T266 PolarHBondContact N-O 3.36Å; Y256-L268 HydrophobicContact CE2-CD1 4.04Å; Y256-I287 HydrophobicContact CE1-CG1 3.84Å; Y256-I287 WeakPolarHBondContact OH-CG1 3.26Å; Y256-W299 PolarHBondContact OH-O 3.24Å; Y256-W299 VanDerWaalsContact OH-O 3.13Å; Y256-P301 HydrophobicContact CD1-CB 4.19Å; Y256-P301 HydrophobicContact CD1-CG 4.33Å; Y256-P301 HydrophobicContact CD2-CB 3.86Å; Y256-P301 HydrophobicContact CE1-CB 4.36Å; Y256-P301 HydrophobicContact CE1-CG 4.28Å; Y256-P301 HydrophobicContact CE2-CB 4.04Å; Y256-P301 HydrophobicContact CG-CB 3.93Å
257L91.9Very high90.2Very high54 Ų5461.7 Ų61.728%0.28336%0.362SS..EExtended strand (participates in β ladder)trans-107.4128.3175.7-17477.5000109.5L245 V259 I264L245-L257 HydrophobicContact CB-CB 4.23Å; L245-L257 HydrophobicContact CB-CD2 4.46Å; L245-L257 HydrophobicContact CD1-CD2 3.9Å; L245-L257 HydrophobicContact CD2-CB 3.33Å; L245-L257 HydrophobicContact CD2-CD2 3.69Å; L245-L257 HydrophobicContact CD2-CG 4.12Å; L245-L257 HydrophobicContact CG-CB 4.29Å; L245-L257 HydrophobicContact CG-CD2 4.21Å; L245-L257 PolarHBondContact O-N 3.47Å; L257-V259 PolarHBondContact O-N 3.21Å; L257-I264 HydrophobicContact CD1-CG1 3.71Å
258D91.6Very high90.4Very high32 Ų3259.4 Ų59.417%0.17135%0.348CS..EExtended strand (participates in β ladder)trans-77.9107.4166.1-170.4-20.7000109.8S260 V261 G262 K263 V265 K463D258-S260 VanDerWaalsContact C-N 3.34Å; D258-S260 PolarHBondContact OD1-N 3.22Å; D258-S260 PolarHBondContact OD1-OG 3Å; D258-V261 HydrophobicContact CB-CB 4.43Å; D258-V261 PolarHBondContact OD1-N 2.8Å; D258-V261 WeakPolarHBondContact OD2-CG2 3.49Å; D258-G262 WeakPolarHBondContact O-CA 3.48Å; D258-G262 PolarHBondContact O-N 3.4Å; D258-K263 WeakPolarHBondContact CB-O 3.09Å; D258-K263 PolarHBondContact N-O 3.38Å; D258-K263 PolarHBondContact O-N 3.32Å; D258-V265 HydrophobicContact CB-CG2 3.77Å; D258-K463 IonicContact OD1-NZ 2.63Å; D258-K463 PolarHBondContact OD1-NZ 3.46Å; D258-K463 IonicContact OD2-NZ 3.6Å; D258-K463 PolarHBondContact OD2-NZ 2.92Å
259V89.3Confident90.6Very high94 Ų9460.8 Ų60.857%0.5735%0.353SS*.THydrogen-bonded Turntrans-69.5-30.5-179.5-178.50000112.3L245 L257L245-V259 HydrophobicContact CB-CG2 3.77Å; L257-V259 PolarHBondContact O-N 3.21Å
260S89Confident90.7Very high65 Ų6559.9 Ų59.946%0.45535%0.346SS..THydrogen-bonded Turntrans-75.6-33.1-177.572.70000112D258 K463D258-S260 VanDerWaalsContact C-N 3.34Å; D258-S260 PolarHBondContact OD1-N 3.22Å; D258-S260 PolarHBondContact OD1-OG 3Å; S260-K463 PolarHBondContact OG-NZ 2.94Å
261V89.9Confident90.7Very high83 Ų8365.3 Ų65.350%0.50336%0.362SS..THydrogen-bonded Turntrans-97.8-21.7179.7-171.50000111.8D258 K263D258-V261 HydrophobicContact CB-CB 4.43Å; D258-V261 PolarHBondContact OD1-N 2.8Å; D258-V261 WeakPolarHBondContact OD2-CG2 3.49Å; V261-K263 HydrophobicContact CG1-CB 4.32Å; V261-K263 HydrophobicContact CG1-CD 3.73Å; V261-K263 HydrophobicContact CG1-CG 3.9Å
262G89Confident90.5Very high57 Ų5761.2 Ų61.259%0.58834%0.339SS*.THydrogen-bonded Turntrans73.625.1-174.500000113.6D258D258-G262 WeakPolarHBondContact O-CA 3.48Å; D258-G262 PolarHBondContact O-N 3.4Å
263K91.1Very high90.4Very high141 Ų14163.3 Ų63.361%0.61336%0.361SS*.EExtended strand (participates in β ladder)trans-115.3141-176.6-72-178.5-175.1179.10111.6D258 V261 V265D258-K263 WeakPolarHBondContact CB-O 3.09Å; D258-K263 PolarHBondContact N-O 3.38Å; D258-K263 PolarHBondContact O-N 3.32Å; V261-K263 HydrophobicContact CG1-CB 4.32Å; V261-K263 HydrophobicContact CG1-CD 3.73Å; V261-K263 HydrophobicContact CG1-CG 3.9Å; K263-V265 PolarHBondContact O-N 3.15Å
264I92Very high90.1Very high113 Ų11365.5 Ų65.558%0.57937%0.366SS*.EExtended strand (participates in β ladder)trans-73117.9170.9-58.8170.4000107.2L257L257-I264 HydrophobicContact CD1-CG1 3.71Å
265V91.9Very high89.8Confident68 Ų6865.9 Ų65.941%0.41237%0.369SS..EExtended strand (participates in β ladder)trans-75.3-53.7179.7-178.80000109.1Y256 D258 K263 A466Y256-V265 PolarHBondContact O-N 3.07Å; D258-V265 HydrophobicContact CB-CG2 3.77Å; K263-V265 PolarHBondContact O-N 3.15Å; V265-A466 HydrophobicContact CG1-CB 3.86Å
266T91.1Very high89.5Confident37 Ų3768.4 Ų68.423%0.22739%0.387CS..EExtended strand (participates in β ladder)trans-148147177.952.70000111.5T255 Y256 P301T255-T266 WeakPolarHBondContact CA-O 3.29Å; Y256-T266 WeakPolarHBondContact CD2-OG1 3.25Å; Y256-T266 PolarHBondContact N-O 3.36Å; T266-P301 WeakPolarHBondContact CG2-O 3.45Å
267A93.3Very high89.4Confident63 Ų6367.8 Ų67.852%0.52139%0.386SS..EExtended strand (participates in β ladder)trans-119.4109.8167.700000108.2T255T255-A267 HydrophobicContact CG2-CB 4.03Å
268L93.3Very high89.4Confident8 Ų868 Ų684%0.04239%0.386CS..EExtended strand (participates in β ladder)trans-102.1130.3-175.6-59.1-176.9000110F253 L254 Y256 W299 K304F253-L268 CarbonylContact C-O 3.37Å; F253-L268 VanDerWaalsContact CA-O 3.3Å; F253-L268 WeakPolarHBondContact CA-O 3.49Å; L254-L268 HydrophobicContact CB-CB 4.47Å; L254-L268 PolarHBondContact N-O 2.82Å; L254-L268 PolarHBondContact O-N 2.91Å; Y256-L268 HydrophobicContact CE2-CD1 4.04Å; L268-W299 HydrophobicContact CB-CE3 4.27Å; L268-W299 HydrophobicContact CB-CZ3 4.11Å; L268-W299 HydrophobicContact CD1-CE3 3.62Å; L268-W299 HydrophobicContact CD1-CZ3 4.06Å; L268-K304 HydrophobicContact CD2-CB 4.47Å; L268-K304 HydrophobicContact CD2-CG 4.22Å
269N91.9Very high89.5Confident74 Ų7467.2 Ų67.240%0.39638%0.384SS..EExtended strand (participates in β ladder)trans-89.9112.6173.6-175.7-9.7000109.7F253 R271F253-N269 HydrophobicContact CD1-CB 4.08Å; F253-N269 HydrophobicContact CE1-CB 3.82Å; F253-N269 HydrophobicContact CZ-CB 4.5Å; N269-R271 VanDerWaalsContact C-N 3.32Å; N269-R271 WeakPolarHBondContact OD1-CG 3.39Å; N269-R271 PolarHBondContact OD1-N 2.97Å
270V89.3Confident89.7Confident14 Ų1466.2 Ų66.29%0.08537%0.373CS..  trans-80.7-16.7-174.3176.40000111.9G252 L254 A272 L275 L289 H291 W299G252-V270 WeakPolarHBondContact O-CB 3.35Å; G252-V270 PolarHBondContact O-N 2.95Å; G252-V270 VanDerWaalsContact O-N 3.07Å; L254-V270 HydrophobicContact CB-CG2 4Å; V270-A272 HydrophobicContact CG1-CB 4.01Å; V270-A272 PolarHBondContact O-N 3.21Å; V270-L275 HydrophobicContact CB-CD1 4.25Å; V270-L275 HydrophobicContact CG1-CD2 4.05Å; V270-L275 HydrophobicContact CG2-CD1 4.07Å; V270-L289 HydrophobicContact CG1-CD1 4.18Å; V270-L289 HydrophobicContact CG2-CD1 3.67Å; V270-H291 WeakPolarHBondContact CG1-CE1 3.43Å; V270-W299 HydrophobicContact CB-CH2 4.44Å; V270-W299 HydrophobicContact CB-CZ2 3.83Å; V270-W299 HydrophobicContact CG1-CZ2 3.69Å; V270-W299 HydrophobicContact CG2-CD2 4.37Å; V270-W299 HydrophobicContact CG2-CH2 4.19Å; V270-W299 HydrophobicContact CG2-CZ2 3.66Å
271R86Confident89.9Confident224 Ų22463.2 Ų63.285%0.84535%0.352SS*.  trans53.432.6178-59-179176.5158.7-1.2114.3N269N269-R271 VanDerWaalsContact C-N 3.32Å; N269-R271 WeakPolarHBondContact OD1-CG 3.39Å; N269-R271 PolarHBondContact OD1-N 2.97Å
272A81.6Confident89.9Confident20 Ų2062.9 Ų62.917%0.16535%0.352CS..SBendtrans-126.718.8-175.800000113.7V270 H291V270-A272 HydrophobicContact CG1-CB 4.01Å; V270-A272 PolarHBondContact O-N 3.21Å; A272-H291 HydrophobicContact CB-CB 4.32Å; A272-H291 VanDerWaalsContact CB-CE1 3.45Å; A272-H291 WeakPolarHBondContact CB-CE1 3.45Å; A272-H291 WeakPolarHBondContact CB-ND1 3.27Å
273G84.6Confident90Very high45 Ų4565.4 Ų65.446%0.46434%0.344SS..SBendtrans75.3-145.918000000113G252 L275G252-G273 VanDerWaalsContact CA-O 3.24Å; G252-G273 WeakPolarHBondContact CA-O 3.4Å; G273-L275 PolarHBondContact O-N 2.92Å
274R85.7Confident90Very high127 Ų12759.3 Ų59.348%0.47932%0.318SS..  trans-68.7125.5-175.1-178.8176.6-167.5161.523.3111.6E250E250-R274 HydrophobicContact CG-CG 4.15Å; E250-R274 IonicContact OE1-CZ 2.77Å; E250-R274 IonicContact OE1-NE 3.01Å; E250-R274 PolarHBondContact OE1-NE 3.27Å; E250-R274 IonicContact OE1-NH1 3.77Å; E250-R274 PolarHBondContact OE1-NH1 3.13Å; E250-R274 IonicContact OE1-NH2 2.97Å; E250-R274 PolarHBondContact OE1-NH2 3.26Å; E250-R274 IonicContact OE2-CZ 3.67Å; E250-R274 IonicContact OE2-NH2 2.68Å; E250-R274 PolarHBondContact OE2-NH2 3.3Å
275L88.6Confident90Very high9 Ų955.5 Ų55.55%0.04730%0.304CS..  trans-99.2100.6177.8-59.6172.7000110.3T248 V270 G273 L289T248-L275 HydrophobicContact CG2-CB 4.21Å; T248-L275 HydrophobicContact CG2-CD1 4.11Å; V270-L275 HydrophobicContact CB-CD1 4.25Å; V270-L275 HydrophobicContact CG1-CD2 4.05Å; V270-L275 HydrophobicContact CG2-CD1 4.07Å; G273-L275 PolarHBondContact O-N 2.92Å; L275-L289 HydrophobicContact CD1-CD1 4Å; L275-L289 HydrophobicContact CD2-CD1 4.31Å
276S85.5Confident90.1Very high86 Ų8652.3 Ų52.360%0.60128%0.284SS*.  trans-101.1-16.9176.259.80000114
277V91.3Very high90.2Very high10 Ų1050.9 Ų50.96%0.06128%0.276CS..EExtended strand (participates in β ladder)trans-121124.3-172.6-172.50000109.8G290 V317 R318 V320V277-G290 PolarHBondContact O-N 3.1Å; V277-G290 VanDerWaalsContact O-N 3.13Å; V277-V317 WeakPolarHBondContact CG2-O 3.28Å; V277-R318 WeakPolarHBondContact CG2-O 3.13Å; V277-V320 HydrophobicContact CG1-CB 4.02Å; V277-V320 HydrophobicContact CG1-CG2 3.81Å
278M92.4Very high90.3Very high59 Ų5947.9 Ų47.929%0.29125%0.251SS..EExtended strand (participates in β ladder)trans-141.5140.6178.4-176.817772.800109.5T248 I287 H288 L289T248-M278 HydrophobicContact CG2-CB 4.46Å; T248-M278 HydrophobicContact CG2-CG 4.49Å; T248-M278 HydrophobicContact CG2-SD 3.79Å; M278-I287 HydrophobicContact CG-CG2 3.59Å; M278-I287 HydrophobicContact SD-CG2 3.91Å; M278-H288 WeakPolarHBondContact CA-O 3.37Å; M278-L289 HydrophobicContact CB-CD2 3.94Å; M278-L289 HydrophobicContact CG-CD2 3.81Å; M278-L289 HydrophobicContact SD-CD2 4.42Å
279A93.1Very high90.4Very high15 Ų1547.5 Ų47.512%0.12425%0.249CC..EExtended strand (participates in β ladder)trans-141.4139.9169.100000110H288 V320 V322A279-H288 HydrophobicContact CB-CB 4.5Å; A279-H288 PolarHBondContact N-O 2.83Å; A279-H288 PolarHBondContact O-N 3.29Å; A279-V320 HydrophobicContact CB-CB 4.26Å; A279-V320 HydrophobicContact CB-CG1 4.01Å; A279-V322 HydrophobicContact CB-CG2 4.33Å
280Q92.8Very high90.5Very high73 Ų7344 Ų4434%0.34123%0.23SC..EExtended strand (participates in β ladder)trans-90.4137.4170.8-172.7-162.5-11.600109P282 I287Q280-P282 WeakPolarHBondContact O-CD 3.28Å; Q280-I287 HydrophobicContact CB-CD1 3.98Å; Q280-I287 HydrophobicContact CG-CD1 3.94Å
281N93.5Very high90.7Very high1 Ų143.8 Ų43.81%0.00523%0.228CC..  trans-81.2117.6163.3-179-14.3000109.8Y283 N284 A285 V286 V322 G326N281-Y283 VanDerWaalsContact C-N 3.27Å; N281-Y283 PolarHBondContact O-N 3.39Å; N281-Y283 WeakPolarHBondContact OD1-CB 3.06Å; N281-Y283 PolarHBondContact OD1-N 2.92Å; N281-N284 WeakPolarHBondContact CB-OD1 3.38Å; N281-N284 PolarHBondContact ND2-ND2 2.9Å; N281-N284 PolarHBondContact ND2-OD1 3.45Å; N281-A285 VanDerWaalsContact O-CA 3.26Å; N281-A285 WeakPolarHBondContact O-CA 3.21Å; N281-A285 PolarHBondContact O-N 2.87Å; N281-V286 PolarHBondContact N-O 2.93Å; N281-V322 HydrophobicContact CB-CB 4.5Å; N281-V322 HydrophobicContact CB-CG1 3.86Å; N281-G326 WeakPolarHBondContact OD1-CA 3.42Å
282P90.6Very high91.1Very high77 Ų7736.7 Ų36.750%0.521%0.213SC..THydrogen-bonded Turntrans-63.9-27.9-178.8-24.136.8000114.1Q280Q280-P282 WeakPolarHBondContact O-CD 3.28Å
283Y91.2Very high91.6Very high109 Ų10941.1 Ų41.143%0.42723%0.234SC..THydrogen-bonded Turntrans-77.2-41.4-175.1176.8-112.8000113.5N281 T325 P473N281-Y283 VanDerWaalsContact C-N 3.27Å; N281-Y283 PolarHBondContact O-N 3.39Å; N281-Y283 WeakPolarHBondContact OD1-CB 3.06Å; N281-Y283 PolarHBondContact OD1-N 2.92Å; Y283-T325 WeakPolarHBondContact CB-O 3.43Å; Y283-P473 HydrophobicContact CD1-CG 4.27Å; Y283-P473 HydrophobicContact CE1-CG 3.94Å
284N90.8Very high91.9Very high13 Ų1339 Ų397%0.0721%0.212CC..THydrogen-bonded Turntrans-119.8-0.7-173.469.56.3000114.2N281 V286 L471 P473N281-N284 WeakPolarHBondContact CB-OD1 3.38Å; N281-N284 PolarHBondContact ND2-ND2 2.9Å; N281-N284 PolarHBondContact ND2-OD1 3.45Å; N284-V286 HydrophobicContact CB-CG2 4.34Å; N284-V286 PolarHBondContact O-N 2.82Å; N284-V286 VanDerWaalsContact O-N 3.13Å; N284-V286 VanDerWaalsContact OD1-CB 3.29Å; N284-V286 WeakPolarHBondContact OD1-CB 3.45Å; N284-V286 WeakPolarHBondContact OD1-CG2 3.49Å; N284-V286 PolarHBondContact OD1-N 3.35Å; N284-L471 PolarHBondContact ND2-O 3.05Å; N284-P473 HydrophobicContact CB-CG 3.72Å
285A91.9Very high92.4Very high34 Ų3434.7 Ų34.728%0.28120%0.2SC..  trans60.212.8-177.400000115.9N281 I469N281-A285 VanDerWaalsContact O-CA 3.26Å; N281-A285 WeakPolarHBondContact O-CA 3.21Å; N281-A285 PolarHBondContact O-N 2.87Å; A285-I469 HydrophobicContact CB-CD1 4.31Å; A285-I469 HydrophobicContact CB-CG1 4.41Å; A285-I469 HydrophobicContact CB-CG2 4.46Å
286V93.1Very high92.7Very high0 Ų034.3 Ų34.30%020%0.198CC..PPolyproline II helixtrans-71.7141174.4175.80000109.8N281 N284 L298 W299 L307 I469N281-V286 PolarHBondContact N-O 2.93Å; N284-V286 HydrophobicContact CB-CG2 4.34Å; N284-V286 PolarHBondContact O-N 2.82Å; N284-V286 VanDerWaalsContact O-N 3.13Å; N284-V286 VanDerWaalsContact OD1-CB 3.29Å; N284-V286 WeakPolarHBondContact OD1-CB 3.45Å; N284-V286 WeakPolarHBondContact OD1-CG2 3.49Å; N284-V286 PolarHBondContact OD1-N 3.35Å; V286-L298 HydrophobicContact CG1-CB 3.86Å; V286-L298 HydrophobicContact CG1-CD2 3.79Å; V286-L298 HydrophobicContact CG1-CG 4.38Å; V286-W299 WeakPolarHBondContact CG1-O 3.41Å; V286-L307 HydrophobicContact CG1-CD1 4.17Å; V286-L307 HydrophobicContact CG2-CD1 4.05Å; V286-I469 HydrophobicContact CG2-CG2 4.14Å
287I94.5Very high93.1Very high8 Ų830.3 Ų30.34%0.04117%0.17CC..EExtended strand (participates in β ladder)trans-95.8126.5179.2-57-60.2000109.8A246 L254 Y256 M278 Q280 L289 W299A246-I287 HydrophobicContact CB-CD1 4.06Å; A246-I287 HydrophobicContact CB-CG1 4.23Å; L254-I287 HydrophobicContact CD1-CG2 4.31Å; Y256-I287 HydrophobicContact CE1-CG1 3.84Å; Y256-I287 WeakPolarHBondContact OH-CG1 3.26Å; M278-I287 HydrophobicContact CG-CG2 3.59Å; M278-I287 HydrophobicContact SD-CG2 3.91Å; Q280-I287 HydrophobicContact CB-CD1 3.98Å; Q280-I287 HydrophobicContact CG-CD1 3.94Å; I287-L289 HydrophobicContact CG2-CD2 3.94Å; I287-L289 HydrophobicContact CG2-CG 4.22Å; I287-W299 PolarHBondContact N-O 2.74Å; I287-W299 PolarHBondContact O-N 2.96Å
288H94.8Very high93.3Very high0 Ų029.9 Ų29.90%017%0.167CC..EExtended strand (participates in β ladder)trans-97123.7174.5-63.9-162.6000108.3M278 A279 V296 L298 V320 V322 M329M278-H288 WeakPolarHBondContact CA-O 3.37Å; A279-H288 HydrophobicContact CB-CB 4.5Å; A279-H288 PolarHBondContact N-O 2.83Å; A279-H288 PolarHBondContact O-N 3.29Å; H288-V296 HydrophobicContact CB-CG1 4.17Å; H288-L298 VanDerWaalsContact CD2-CD2 3.43Å; H288-L298 WeakPolarHBondContact CD2-CD2 3.44Å; H288-L298 WeakPolarHBondContact NE2-CD2 3.48Å; H288-V320 HydrophobicContact CB-CG1 4.09Å; H288-V322 VanDerWaalsContact CE1-CG2 3.43Å; H288-V322 WeakPolarHBondContact CE1-CG2 3.16Å; H288-V322 VanDerWaalsContact ND1-CG2 3.35Å; H288-V322 WeakPolarHBondContact ND1-CG2 3.37Å; H288-M329 PolarHBondContact ND1-SD 2.76Å
289L94.9Very high93.4Very high0 Ų027.3 Ų27.30%015%0.154CC..EExtended strand (participates in β ladder)trans-113.6128.2177-64.6-178.4000110.1T248 L254 V270 L275 M278 I287 V296 S297 W299T248-L289 HydrophobicContact CG2-CD2 3.56Å; L254-L289 HydrophobicContact CB-CD1 4.26Å; L254-L289 HydrophobicContact CD1-CD1 4.49Å; L254-L289 HydrophobicContact CD2-CD1 4.06Å; V270-L289 HydrophobicContact CG1-CD1 4.18Å; V270-L289 HydrophobicContact CG2-CD1 3.67Å; L275-L289 HydrophobicContact CD1-CD1 4Å; L275-L289 HydrophobicContact CD2-CD1 4.31Å; M278-L289 HydrophobicContact CB-CD2 3.94Å; M278-L289 HydrophobicContact CG-CD2 3.81Å; M278-L289 HydrophobicContact SD-CD2 4.42Å; I287-L289 HydrophobicContact CG2-CD2 3.94Å; I287-L289 HydrophobicContact CG2-CG 4.22Å; L289-V296 CarbonylContact O-C 3.59Å; L289-V296 VanDerWaalsContact O-CA 3.28Å; L289-V296 WeakPolarHBondContact O-CA 3.32Å; L289-S297 PolarHBondContact N-O 3.16Å; L289-S297 PolarHBondContact O-N 3.25Å; L289-W299 HydrophobicContact CD1-CG 4.35Å
290G94.5Very high93.4Very high1 Ų126.7 Ų26.71%0.0115%0.149CC..EExtended strand (participates in β ladder)trans-93.4131.6174.400000111.5V277V277-G290 PolarHBondContact O-N 3.1Å; V277-G290 VanDerWaalsContact O-N 3.13Å
291H93.9Very high93.4Very high9 Ų923.6 Ų23.64%0.04214%0.135CC..  trans-104.6160.3-178.1-60.6-49.6000113V270 A272 N293 G294 T295 S297 V317V270-H291 WeakPolarHBondContact CG1-CE1 3.43Å; A272-H291 HydrophobicContact CB-CB 4.32Å; A272-H291 VanDerWaalsContact CB-CE1 3.45Å; A272-H291 WeakPolarHBondContact CB-CE1 3.45Å; A272-H291 WeakPolarHBondContact CB-ND1 3.27Å; H291-N293 PolarHBondContact O-N 2.84Å; H291-G294 PolarHBondContact O-N 3.3Å; H291-T295 WeakPolarHBondContact CB-O 3.36Å; H291-T295 PolarHBondContact CD2-O 2.97Å; H291-T295 PolarHBondContact CD2-OG1 3.32Å; H291-T295 PolarHBondContact N-O 2.91Å; H291-S297 WeakPolarHBondContact NE2-CB 3.18Å; H291-S297 PolarHBondContact NE2-OG 3.28Å; H291-V317 PolarHBondContact O-N 2.91Å
292S92.9Very high93.3Very high74 Ų7426.1 Ų26.152%0.51716%0.156SC..THydrogen-bonded Turntrans-61.8-21.5170.6550000113.4G294 G316S292-G294 PolarHBondContact O-N 3.28Å; S292-G316 WeakPolarHBondContact O-CA 3.45Å; S292-G316 PolarHBondContact O-N 2.85Å
293N92.2Very high93.3Very high114 Ų11425.5 Ų25.561%0.6115%0.151SC*.THydrogen-bonded Turntrans-85.35.7-178.2-59.63.8000112.7H291 T295H291-N293 PolarHBondContact O-N 2.84Å; N293-T295 PolarHBondContact O-N 3.11Å
294G92.8Very high93.3Very high0 Ų029 Ų290%017%0.168CC..SBendtrans78.66.2-17900000114.8H291 S292 C312 H313 G315H291-G294 PolarHBondContact O-N 3.3Å; S292-G294 PolarHBondContact O-N 3.28Å; G294-C312 PolarHBondContact O-N 2.79Å; G294-H313 WeakPolarHBondContact CA-O 3.36Å; G294-H313 PolarHBondContact O-N 3.1Å; G294-G315 WeakPolarHBondContact CA-O 3.44Å; G294-G315 PolarHBondContact N-O 2.9Å
295T94.6Very high93.4Very high37 Ų3735.4 Ų35.423%0.22720%0.198CC..EExtended strand (participates in β ladder)trans-94.3145.2175.355.30000111.3H291 N293 I310 L311H291-T295 WeakPolarHBondContact CB-O 3.36Å; H291-T295 PolarHBondContact CD2-O 2.97Å; H291-T295 PolarHBondContact CD2-OG1 3.32Å; H291-T295 PolarHBondContact N-O 2.91Å; N293-T295 PolarHBondContact O-N 3.11Å; T295-I310 CarbonylContact C-O 3.6Å; T295-I310 WeakPolarHBondContact CA-O 3.17Å; T295-L311 HydrophobicContact CG2-CB 4.45Å; T295-L311 HydrophobicContact CG2-CD1 3.64Å
296V95.5Very high93.5Very high0 Ų035.3 Ų35.30%019%0.194CC..EExtended strand (participates in β ladder)trans-109.9126.6168.2178.60000108.2H288 L289 I310 C312 V317 V320 M329 T331H288-V296 HydrophobicContact CB-CG1 4.17Å; L289-V296 CarbonylContact O-C 3.59Å; L289-V296 VanDerWaalsContact O-CA 3.28Å; L289-V296 WeakPolarHBondContact O-CA 3.32Å; V296-I310 PolarHBondContact N-O 3.42Å; V296-I310 PolarHBondContact O-N 2.88Å; V296-C312 HydrophobicContact CG2-CB 4.41Å; V296-V317 HydrophobicContact CG2-CG1 4.22Å; V296-V317 HydrophobicContact CG2-CG2 4Å; V296-V320 HydrophobicContact CG1-CG2 4.5Å; V296-V320 HydrophobicContact CG2-CG2 3.94Å; V296-M329 HydrophobicContact CG1-CE 4.49Å; V296-M329 HydrophobicContact CG1-SD 4.03Å; V296-T331 HydrophobicContact CG2-CG2 4.07Å
297S94.8Very high93.4Very high3 Ų338.2 Ų38.22%0.02121%0.21CC..EExtended strand (participates in β ladder)trans-110.2137.7177.159.60000111.3L289 H291 W299 A308L289-S297 PolarHBondContact N-O 3.16Å; L289-S297 PolarHBondContact O-N 3.25Å; H291-S297 WeakPolarHBondContact NE2-CB 3.18Å; H291-S297 PolarHBondContact NE2-OG 3.28Å; S297-W299 PolarHBondContact OG-NE1 2.79Å; S297-A308 WeakPolarHBondContact CA-O 3.41Å
298L94.6Very high93.3Very high1 Ų138.7 Ų38.71%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-96.7131.4175.8-71.7114.2000111.1V286 H288 P306 L307 A308 I310 L471V286-L298 HydrophobicContact CG1-CB 3.86Å; V286-L298 HydrophobicContact CG1-CD2 3.79Å; V286-L298 HydrophobicContact CG1-CG 4.38Å; H288-L298 VanDerWaalsContact CD2-CD2 3.43Å; H288-L298 WeakPolarHBondContact CD2-CD2 3.44Å; H288-L298 WeakPolarHBondContact NE2-CD2 3.48Å; L298-P306 CarbonylContact O-C 3.59Å; L298-P306 VanDerWaalsContact O-CA 3.27Å; L298-P306 WeakPolarHBondContact O-CA 3.37Å; L298-P306 WeakPolarHBondContact O-CB 3.37Å; L298-L307 HydrophobicContact CB-CB 4.3Å; L298-L307 PolarHBondContact O-N 3.44Å; L298-A308 HydrophobicContact CD1-CB 3.69Å; L298-A308 PolarHBondContact N-O 3.49Å; L298-I310 HydrophobicContact CD1-CD1 3.65Å; L298-I310 HydrophobicContact CD1-CG1 4.18Å; L298-L471 HydrophobicContact CD2-CD1 4Å
299W94.3Very high93.2Very high5 Ų546.2 Ų46.22%0.01925%0.248CC..EExtended strand (participates in β ladder)trans-126.6132.5-174.1-69.190.6000112.4L254 Y256 L268 V270 V286 I287 L289 S297 K304 P306L254-W299 HydrophobicContact CD2-CB 3.54Å; L254-W299 HydrophobicContact CD2-CD2 4.37Å; L254-W299 HydrophobicContact CD2-CG 3.81Å; Y256-W299 PolarHBondContact OH-O 3.24Å; Y256-W299 VanDerWaalsContact OH-O 3.13Å; L268-W299 HydrophobicContact CB-CE3 4.27Å; L268-W299 HydrophobicContact CB-CZ3 4.11Å; L268-W299 HydrophobicContact CD1-CE3 3.62Å; L268-W299 HydrophobicContact CD1-CZ3 4.06Å; V270-W299 HydrophobicContact CB-CH2 4.44Å; V270-W299 HydrophobicContact CB-CZ2 3.83Å; V270-W299 HydrophobicContact CG1-CZ2 3.69Å; V270-W299 HydrophobicContact CG2-CD2 4.37Å; V270-W299 HydrophobicContact CG2-CH2 4.19Å; V270-W299 HydrophobicContact CG2-CZ2 3.66Å; V286-W299 WeakPolarHBondContact CG1-O 3.41Å; I287-W299 PolarHBondContact N-O 2.74Å; I287-W299 PolarHBondContact O-N 2.96Å; L289-W299 HydrophobicContact CD1-CG 4.35Å; S297-W299 PolarHBondContact OG-NE1 2.79Å; W299-K304 VanDerWaalsContact CZ3-O 3.3Å; W299-K304 WeakPolarHBondContact CZ3-O 3.24Å; W299-P306 HydrophobicContact CD2-CB 4.22Å; W299-P306 HydrophobicContact CH2-CB 4.22Å; W299-P306 HydrophobicContact CH2-CG 4.25Å; W299-P306 HydrophobicContact CZ2-CB 3.81Å; W299-P306 HydrophobicContact CZ2-CG 4.04Å
300S93.1Very high93.2Very high1 Ų146.4 Ų46.41%0.00725%0.249CC..  trans-116.3145.3166.4162.50000108.7A302 V303 I469S300-A302 PolarHBondContact O-N 2.94Å; S300-A302 PolarHBondContact OG-N 3.17Å; S300-A302 VanDerWaalsContact OG-N 3.12Å; S300-V303 PolarHBondContact O-N 3.39Å; S300-V303 VanDerWaalsContact O-O 3.08Å; S300-I469 WeakPolarHBondContact CB-O 3.47Å; S300-I469 PolarHBondContact OG-O 2.89Å
301P93.1Very high93.2Very high8 Ų852.6 Ų52.65%0.05228%0.28CS..THydrogen-bonded Turntrans-64.6-19.217427.1-34.4000113.3Y256 T266 A466 I469Y256-P301 HydrophobicContact CD1-CB 4.19Å; Y256-P301 HydrophobicContact CD1-CG 4.33Å; Y256-P301 HydrophobicContact CD2-CB 3.86Å; Y256-P301 HydrophobicContact CE1-CB 4.36Å; Y256-P301 HydrophobicContact CE1-CG 4.28Å; Y256-P301 HydrophobicContact CE2-CB 4.04Å; Y256-P301 HydrophobicContact CG-CB 3.93Å; T266-P301 WeakPolarHBondContact CG2-O 3.45Å; P301-A466 HydrophobicContact CB-CB 4.28Å; P301-A466 HydrophobicContact CG-CB 3.87Å; P301-A466 WeakPolarHBondContact CG-O 3.32Å; P301-I469 HydrophobicContact CG-CB 4.32Å; P301-I469 HydrophobicContact CG-CD1 3.82Å
302A90.7Very high93.1Very high55 Ų5552.3 Ų52.346%0.45528%0.279SS..THydrogen-bonded Turntrans-72.9-29.2-17900000113.1S300S300-A302 PolarHBondContact O-N 2.94Å; S300-A302 PolarHBondContact OG-N 3.17Å; S300-A302 VanDerWaalsContact OG-N 3.12Å
303V91Very high93.2Very high64 Ų6449 Ų4939%0.38826%0.256SS..  trans-119.9129.7-172.5-172.10000109.8S300 E305 L307S300-V303 PolarHBondContact O-N 3.39Å; S300-V303 VanDerWaalsContact O-O 3.08Å; V303-E305 VanDerWaalsContact C-N 3.26Å; V303-E305 HydrophobicContact CG1-CB 4.38Å; V303-E305 WeakPolarHBondContact CG1-O 3.43Å; V303-E305 PolarHBondContact O-N 2.87Å; V303-L307 HydrophobicContact CB-CD2 4.31Å; V303-L307 HydrophobicContact CG2-CD2 4.08Å
304K91.1Very high93.2Very high182 Ų18255.1 Ų55.179%0.79127%0.27SS*.SBendtrans-72.5-19.4179.4-70.3-174.5-178.4178.40113.9L268 W299L268-K304 HydrophobicContact CD2-CB 4.47Å; L268-K304 HydrophobicContact CD2-CG 4.22Å; W299-K304 VanDerWaalsContact CZ3-O 3.3Å; W299-K304 WeakPolarHBondContact CZ3-O 3.24Å
305E92.3Very high93.2Very high148 Ų14856.1 Ų56.169%0.69228%0.28SS*.SBendtrans-100151.5175.1-64.8-170.9168.100109.9V303 L307V303-E305 VanDerWaalsContact C-N 3.26Å; V303-E305 HydrophobicContact CG1-CB 4.38Å; V303-E305 WeakPolarHBondContact CG1-O 3.43Å; V303-E305 PolarHBondContact O-N 2.87Å; E305-L307 PolarHBondContact O-N 3.41Å
306P93.9Very high93.1Very high32 Ų3255.2 Ų55.221%0.20828%0.278CS..  trans-65.4136.2177.425.9-31.4000110.3L298 W299 A308 K309L298-P306 CarbonylContact O-C 3.59Å; L298-P306 VanDerWaalsContact O-CA 3.27Å; L298-P306 WeakPolarHBondContact O-CA 3.37Å; L298-P306 WeakPolarHBondContact O-CB 3.37Å; W299-P306 HydrophobicContact CD2-CB 4.22Å; W299-P306 HydrophobicContact CH2-CB 4.22Å; W299-P306 HydrophobicContact CH2-CG 4.25Å; W299-P306 HydrophobicContact CZ2-CB 3.81Å; W299-P306 HydrophobicContact CZ2-CG 4.04Å; P306-A308 VanDerWaalsContact C-N 3.25Å; P306-A308 PolarHBondContact O-N 3.22Å; P306-K309 HydrophobicContact CB-CG 4.38Å; P306-K309 HydrophobicContact CG-CD 4.25Å; P306-K309 HydrophobicContact CG-CG 3.98Å
307L92.1Very high93.2Very high61 Ų6155.6 Ų55.632%0.31928%0.281SS..SBendtrans-60.1-37.9179.2-64.9178000112V286 L298 V303 E305 L471V286-L307 HydrophobicContact CG1-CD1 4.17Å; V286-L307 HydrophobicContact CG2-CD1 4.05Å; L298-L307 HydrophobicContact CB-CB 4.3Å; L298-L307 PolarHBondContact O-N 3.44Å; V303-L307 HydrophobicContact CB-CD2 4.31Å; V303-L307 HydrophobicContact CG2-CD2 4.08Å; E305-L307 PolarHBondContact O-N 3.41Å; L307-L471 HydrophobicContact CD1-CB 4.43Å
308A92.2Very high93.1Very high18 Ų1860 Ų6015%0.14930%0.297CS..EExtended strand (participates in β ladder)trans-153.4151.9174.900000110.6S297 L298 P306 F347S297-A308 WeakPolarHBondContact CA-O 3.41Å; L298-A308 HydrophobicContact CD1-CB 3.69Å; L298-A308 PolarHBondContact N-O 3.49Å; P306-A308 VanDerWaalsContact C-N 3.25Å; P306-A308 PolarHBondContact O-N 3.22Å; A308-F347 HydrophobicContact CB-CE2 4.47Å; A308-F347 HydrophobicContact CB-CZ 4.24Å
309K93.1Very high93.2Very high158 Ų15860.2 Ų60.269%0.68730%0.299SS*.EExtended strand (participates in β ladder)trans-123.6119172.7-67.6-177-177.9178.70108.5P306P306-K309 HydrophobicContact CB-CG 4.38Å; P306-K309 HydrophobicContact CG-CD 4.25Å; P306-K309 HydrophobicContact CG-CG 3.98Å
310I94.4Very high93.2Very high4 Ų460.5 Ų60.52%0.02130%0.301CS..EExtended strand (participates in β ladder)trans-111125-176.8-51.9169.5000107.8T295 V296 L298 C312 M329 F341 L343 F347T295-I310 CarbonylContact C-O 3.6Å; T295-I310 WeakPolarHBondContact CA-O 3.17Å; V296-I310 PolarHBondContact N-O 3.42Å; V296-I310 PolarHBondContact O-N 2.88Å; L298-I310 HydrophobicContact CD1-CD1 3.65Å; L298-I310 HydrophobicContact CD1-CG1 4.18Å; I310-C312 PolarHBondContact O-N 3.22Å; I310-M329 HydrophobicContact CD1-CE 3.84Å; I310-F341 HydrophobicContact CG2-CD1 4.26Å; I310-F341 HydrophobicContact CG2-CE1 4.14Å; I310-L343 HydrophobicContact CD1-CD2 4.5Å; I310-F347 HydrophobicContact CD1-CB 4.39Å; I310-F347 HydrophobicContact CD1-CD1 3.37Å; I310-F347 HydrophobicContact CD1-CE1 3.89Å; I310-F347 HydrophobicContact CD1-CG 4.12Å; I310-F347 HydrophobicContact CG1-CB 4.1Å; I310-F347 HydrophobicContact CG1-CD1 3.79Å; I310-F347 HydrophobicContact CG1-CE1 4.44Å; I310-F347 HydrophobicContact CG1-CG 4.04Å; I310-F347 HydrophobicContact CG2-CB 4.2Å
311L93.9Very high93.4Very high130 Ų13060.7 Ų60.768%0.68130%0.303SS*.EExtended strand (participates in β ladder)trans-85.3101.2172.5-17867.4000108.9T295T295-L311 HydrophobicContact CG2-CB 4.45Å; T295-L311 HydrophobicContact CG2-CD1 3.64Å
312C93.3Very high93.4Very high3 Ų361 Ų612%0.0231%0.305CS..  trans-92.8-44.6-175-61.70000111.8G294 V296 I310 T331 K339 F341G294-C312 PolarHBondContact O-N 2.79Å; V296-C312 HydrophobicContact CG2-CB 4.41Å; I310-C312 PolarHBondContact O-N 3.22Å; C312-T331 HydrophobicContact CB-CG2 4.44Å; C312-K339 VanDerWaalsContact O-CD 3.27Å; C312-K339 WeakPolarHBondContact O-CD 3.48Å; C312-K339 PolarHBondContact O-NZ 2.79Å; C312-F341 HydrophobicContact CB-CE2 4.02Å; C312-F341 HydrophobicContact CB-CZ 3.8Å
313H94.7Very high93.5Very high4 Ų458.4 Ų58.42%0.01928%0.283CS..  trans-132.6159.8-168.8-65.9-75.4000111.9G294 G315 T331 G333 D335 Q337G294-H313 WeakPolarHBondContact CA-O 3.36Å; G294-H313 PolarHBondContact O-N 3.1Å; H313-G315 WeakPolarHBondContact CB-O 3.42Å; H313-T331 WeakPolarHBondContact NE2-CB 3.18Å; H313-T331 PolarHBondContact NE2-O 2.8Å; H313-T331 PolarHBondContact NE2-OG1 3.03Å; H313-G333 PolarHBondContact CE1-N 3.1Å; H313-D335 WeakPolarHBondContact CA-OD2 3.41Å; H313-D335 VanDerWaalsContact CB-OD2 3.29Å; H313-D335 WeakPolarHBondContact CB-OD2 3.42Å; H313-D335 IonicContact CE1-OD1 3.35Å; H313-D335 IonicContact CG-OD1 2.83Å; H313-D335 IonicContact CG-OD2 3.56Å; H313-D335 IonicContact ND1-OD1 3.65Å; H313-D335 PolarHBondContact ND1-OD1 3.46Å; H313-D335 IonicContact ND1-OD2 3.35Å; H313-D335 PolarHBondContact ND1-OD2 2.9Å; H313-Q337 PolarHBondContact CE1-O 3.2Å
314R92.4Very high93.4Very high244 Ų24457.3 Ų57.392%0.92128%0.278SS*.SBendtrans-79.6-29.3172.9-70.6-174.3176.6-173.6-0.2112.6D335R314-D335 PolarHBondContact N-OD2 3.37Å
315G92.1Very high93.3Very high20 Ų2050.6 Ų50.621%0.20625%0.253CS..SBendtrans-109.7178.617400000111.7G294 H313G294-G315 WeakPolarHBondContact CA-O 3.44Å; G294-G315 PolarHBondContact N-O 2.9Å; H313-G315 WeakPolarHBondContact CB-O 3.42Å
316G93.4Very high93.1Very high18 Ų1843.9 Ų43.919%0.18622%0.223CC..  trans-56.7141.1-178.100000114S292 R318 G333 L334S292-G316 WeakPolarHBondContact O-CA 3.45Å; S292-G316 PolarHBondContact O-N 2.85Å; G316-R318 PolarHBondContact O-N 3.21Å; G316-G333 CarbonylContact O-C 3.55Å; G316-G333 WeakPolarHBondContact O-CA 3.28Å; G316-L334 PolarHBondContact O-N 2.99Å
317V95.8Very high92.9Very high9 Ų943.3 Ų43.36%0.05522%0.219CC..EExtended strand (participates in β ladder)trans-72.3126.5176.4-173.30000108.6V277 H291 V296 V320V277-V317 WeakPolarHBondContact CG2-O 3.28Å; H291-V317 PolarHBondContact O-N 2.91Å; V296-V317 HydrophobicContact CG2-CG1 4.22Å; V296-V317 HydrophobicContact CG2-CG2 4Å; V317-V320 HydrophobicContact CG1-CG2 3.6Å
318R94.4Very high92.9Very high95 Ų9541.4 Ų41.436%0.35821%0.208SC..EExtended strand (participates in β ladder)trans-95-37.6-179.4-70.3-170.367.3-156.5-7.3112.9V277 G316 S332 G358 A359 G360V277-R318 WeakPolarHBondContact CG2-O 3.13Å; G316-R318 PolarHBondContact O-N 3.21Å; R318-S332 PolarHBondContact N-O 3.12Å; R318-G358 VanDerWaalsContact NH1-C 3.25Å; R318-G358 PolarHBondContact NH1-O 3.21Å; R318-A359 WeakPolarHBondContact CB-O 3.33Å; R318-G360 VanDerWaalsContact NH2-CA 3.31Å
319A94.9Very high93Very high6 Ų640.6 Ų40.65%0.0520%0.201CC..EExtended strand (participates in β ladder)trans-148.5152.2175.300000111.1T331 S332 L362A319-T331 WeakPolarHBondContact O-CA 3.46Å; A319-S332 WeakPolarHBondContact CB-OG 3.4Å; A319-S332 PolarHBondContact N-O 3.36Å; A319-S332 PolarHBondContact N-OG 2.84Å; A319-S332 PolarHBondContact O-N 3.09Å; A319-L362 HydrophobicContact CB-CB 4.03Å; A319-L362 HydrophobicContact CB-CD1 4.06Å; A319-L362 HydrophobicContact CB-CG 3.79Å
320V96.1Very high93.1Very high10 Ų1033 Ų336%0.06117%0.168CC..EExtended strand (participates in β ladder)trans-133.9137.4173178.10000107V277 A279 H288 V296 V317 M329 A330 T331V277-V320 HydrophobicContact CG1-CB 4.02Å; V277-V320 HydrophobicContact CG1-CG2 3.81Å; A279-V320 HydrophobicContact CB-CB 4.26Å; A279-V320 HydrophobicContact CB-CG1 4.01Å; H288-V320 HydrophobicContact CB-CG1 4.09Å; V296-V320 HydrophobicContact CG1-CG2 4.5Å; V296-V320 HydrophobicContact CG2-CG2 3.94Å; V317-V320 HydrophobicContact CG1-CG2 3.6Å; V320-M329 HydrophobicContact CG1-CG 3.99Å; V320-M329 HydrophobicContact CG1-SD 3.95Å; V320-A330 WeakPolarHBondContact CA-O 3.5Å; V320-T331 HydrophobicContact CG1-CG2 4.47Å; V320-T331 HydrophobicContact CG2-CG2 4.23Å
321A95.6Very high93.2Very high6 Ų632.9 Ų32.95%0.0517%0.167CC..EExtended strand (participates in β ladder)trans-135148169.900000109.3M329 A330 L362 F364A321-M329 CarbonylContact O-C 3.6Å; A321-M329 WeakPolarHBondContact O-CA 3.13Å; A321-A330 PolarHBondContact N-O 3.37Å; A321-A330 PolarHBondContact O-N 3.22Å; A321-L362 HydrophobicContact CB-CB 3.74Å; A321-F364 HydrophobicContact CB-CD2 3.69Å; A321-F364 HydrophobicContact CB-CE2 4.15Å; A321-F364 WeakPolarHBondContact O-CE2 3.48Å
322V94.9Very high93.3Very high14 Ų1426.7 Ų26.79%0.08514%0.135CC..EExtended strand (participates in β ladder)trans-121.1139.9177.7-174.40000108.4A279 N281 H288 M329 L343A279-V322 HydrophobicContact CB-CG2 4.33Å; N281-V322 HydrophobicContact CB-CB 4.5Å; N281-V322 HydrophobicContact CB-CG1 3.86Å; H288-V322 VanDerWaalsContact CE1-CG2 3.43Å; H288-V322 WeakPolarHBondContact CE1-CG2 3.16Å; H288-V322 VanDerWaalsContact ND1-CG2 3.35Å; H288-V322 WeakPolarHBondContact ND1-CG2 3.37Å; V322-M329 HydrophobicContact CG2-CG 4.43Å; V322-L343 HydrophobicContact CG1-CD1 3.99Å
323D92.6Very high93.3Very high1 Ų126.6 Ų26.61%0.00513%0.134CC..  trans-66.1153.1176178.735.1000111.5T325 G326 Y328 F364D323-T325 PolarHBondContact O-N 2.76Å; D323-T325 WeakPolarHBondContact OD2-CB 3.15Å; D323-T325 WeakPolarHBondContact OD2-CG2 3.42Å; D323-T325 PolarHBondContact OD2-N 3.18Å; D323-T325 PolarHBondContact OD2-OG1 2.63Å; D323-G326 WeakPolarHBondContact O-CA 3.45Å; D323-G326 PolarHBondContact O-N 3.35Å; D323-Y328 PolarHBondContact N-O 2.8Å; D323-F364 HydrophobicContact CB-CD1 4.36Å; D323-F364 HydrophobicContact CB-CD2 4.43Å; D323-F364 HydrophobicContact CB-CG 4.27Å
324S89.1Confident93.3Very high40 Ų4032 Ų3228%0.2816%0.162SC..THydrogen-bonded Turntrans-58.3-33.1177.264.90000112.9G326 Q366S324-G326 PolarHBondContact O-N 3.17Å; S324-Q366 PolarHBondContact OG-O 2.87Å; S324-Q366 VanDerWaalsContact OG-O 3.12Å
325T88.2Confident93.3Very high42 Ų4222.1 Ų22.126%0.25813%0.128SC..THydrogen-bonded Turntrans-75.9-12.4175.974.30000113.1Y283 D323 T327 K386Y283-T325 WeakPolarHBondContact CB-O 3.43Å; D323-T325 PolarHBondContact O-N 2.76Å; D323-T325 WeakPolarHBondContact OD2-CB 3.15Å; D323-T325 WeakPolarHBondContact OD2-CG2 3.42Å; D323-T325 PolarHBondContact OD2-N 3.18Å; D323-T325 PolarHBondContact OD2-OG1 2.63Å; T325-T327 PolarHBondContact O-N 2.88Å; T325-T327 VanDerWaalsContact OG1-CB 3.32Å; T325-T327 WeakPolarHBondContact OG1-CB 3.35Å; T325-T327 PolarHBondContact OG1-N 2.85Å; T325-T327 PolarHBondContact OG1-OG1 3.38Å; T325-K386 HydrophobicContact CG2-CG 4.22Å
326G88.2Confident93.4Very high6 Ų625.1 Ų25.16%0.06214%0.136CC..SBendtrans69.313.4-174.700000114.6N281 D323 S324 L343N281-G326 WeakPolarHBondContact OD1-CA 3.42Å; D323-G326 WeakPolarHBondContact O-CA 3.45Å; D323-G326 PolarHBondContact O-N 3.35Å; S324-G326 PolarHBondContact O-N 3.17Å; G326-L343 WeakPolarHBondContact O-CD1 3.34Å
327T88.7Confident93.4Very high21 Ų2127 Ų2713%0.12914%0.141CC..SBendtrans-84-45.2-179.6-580000111.9T325 L343 R344T325-T327 PolarHBondContact O-N 2.88Å; T325-T327 VanDerWaalsContact OG1-CB 3.32Å; T325-T327 WeakPolarHBondContact OG1-CB 3.35Å; T325-T327 PolarHBondContact OG1-N 2.85Å; T325-T327 PolarHBondContact OG1-OG1 3.38Å; T327-L343 PolarHBondContact O-N 2.85Å; T327-R344 VanDerWaalsContact CG2-NH2 3.34Å
328Y92.3Very high93.4Very high21 Ų2126.6 Ų26.68%0.08214%0.138CC..EExtended strand (participates in β ladder)trans-111.3147.9-172.8-57.4-66.9000111.8D323 F341 L350 A387 P389D323-Y328 PolarHBondContact N-O 2.8Å; Y328-F341 CarbonylContact C-O 3.6Å; Y328-F341 VanDerWaalsContact CA-O 3.31Å; Y328-F341 WeakPolarHBondContact CA-O 3.09Å; Y328-L350 HydrophobicContact CD1-CD1 3.87Å; Y328-L350 HydrophobicContact CE1-CD1 3.71Å; Y328-A387 PolarHBondContact OH-O 2.77Å; Y328-P389 HydrophobicContact CD1-CB 4.35Å; Y328-P389 HydrophobicContact CE1-CB 4.21Å; Y328-P389 HydrophobicContact CE1-CG 4.5Å
329M94.6Very high93.4Very high0 Ų023.5 Ų23.50%013%0.127CC..EExtended strand (participates in β ladder)trans-128.2134.2171.9177.9-17767.100109.4H288 V296 I310 V320 A321 V322 T331 I340 F341 L343H288-M329 PolarHBondContact ND1-SD 2.76Å; V296-M329 HydrophobicContact CG1-CE 4.49Å; V296-M329 HydrophobicContact CG1-SD 4.03Å; I310-M329 HydrophobicContact CD1-CE 3.84Å; V320-M329 HydrophobicContact CG1-CG 3.99Å; V320-M329 HydrophobicContact CG1-SD 3.95Å; A321-M329 CarbonylContact O-C 3.6Å; A321-M329 WeakPolarHBondContact O-CA 3.13Å; V322-M329 HydrophobicContact CG2-CG 4.43Å; M329-T331 HydrophobicContact CE-CG2 3.78Å; M329-T331 HydrophobicContact CG-CG2 4.04Å; M329-T331 HydrophobicContact SD-CG2 4.06Å; M329-I340 CarbonylContact O-C 3.52Å; M329-I340 WeakPolarHBondContact O-CA 3.43Å; M329-F341 HydrophobicContact CB-CB 4.46Å; M329-F341 HydrophobicContact CE-CB 4.08Å; M329-F341 HydrophobicContact CE-CD2 3.92Å; M329-F341 HydrophobicContact CE-CG 4.05Å; M329-F341 PolarHBondContact N-O 3.48Å; M329-F341 PolarHBondContact O-N 3.06Å; M329-L343 HydrophobicContact CB-CD1 4.1Å; M329-L343 HydrophobicContact CB-CD2 3.92Å; M329-L343 HydrophobicContact CB-CG 4Å; M329-L343 HydrophobicContact CE-CD2 4.32Å; M329-L343 HydrophobicContact SD-CD2 4.22Å
330A95.3Very high93.4Very high0 Ų023.2 Ų23.20%013%0.125CC..EExtended strand (participates in β ladder)trans-108.4136.3172.400000109.4V320 A321 K339 L362 F364 L370V320-A330 WeakPolarHBondContact CA-O 3.5Å; A321-A330 PolarHBondContact N-O 3.37Å; A321-A330 PolarHBondContact O-N 3.22Å; A330-K339 CarbonylContact C-O 3.59Å; A330-K339 WeakPolarHBondContact CA-O 3.21Å; A330-L362 HydrophobicContact CB-CD1 4.28Å; A330-F364 HydrophobicContact CB-CE2 3.47Å; A330-F364 VanDerWaalsContact CB-CE2 3.47Å; A330-F364 HydrophobicContact CB-CZ 3.62Å; A330-L370 HydrophobicContact CB-CD1 3.6Å; A330-L370 HydrophobicContact CB-CD2 3.83Å; A330-L370 HydrophobicContact CB-CG 4.4Å
331T96Very high93.2Very high0 Ų022.8 Ų22.80%012%0.122CC..EExtended strand (participates in β ladder)trans-131.7142.7177.869.20000110.4V296 C312 H313 A319 V320 M329 K339 F341V296-T331 HydrophobicContact CG2-CG2 4.07Å; C312-T331 HydrophobicContact CB-CG2 4.44Å; H313-T331 WeakPolarHBondContact NE2-CB 3.18Å; H313-T331 PolarHBondContact NE2-O 2.8Å; H313-T331 PolarHBondContact NE2-OG1 3.03Å; A319-T331 WeakPolarHBondContact O-CA 3.46Å; V320-T331 HydrophobicContact CG1-CG2 4.47Å; V320-T331 HydrophobicContact CG2-CG2 4.23Å; M329-T331 HydrophobicContact CE-CG2 3.78Å; M329-T331 HydrophobicContact CG-CG2 4.04Å; M329-T331 HydrophobicContact SD-CG2 4.06Å; T331-K339 PolarHBondContact N-O 3.27Å; T331-K339 PolarHBondContact O-N 2.9Å; T331-F341 HydrophobicContact CG2-CD2 4.22Å; T331-F341 HydrophobicContact CG2-CE2 4.15Å; T331-F341 VanDerWaalsContact OG1-CE2 3.29Å; T331-F341 WeakPolarHBondContact OG1-CE2 3.29Å
332S95.8Very high93Very high1 Ų124 Ų241%0.00713%0.127CC..EExtended strand (participates in β ladder)trans-120.7139.8170.563.10000110.7R318 A319 Q337 A359R318-S332 PolarHBondContact N-O 3.12Å; A319-S332 WeakPolarHBondContact CB-OG 3.4Å; A319-S332 PolarHBondContact N-O 3.36Å; A319-S332 PolarHBondContact N-OG 2.84Å; A319-S332 PolarHBondContact O-N 3.09Å; S332-Q337 WeakPolarHBondContact CA-O 3.42Å; S332-A359 WeakPolarHBondContact CB-O 3.48Å; S332-A359 PolarHBondContact OG-O 3.22Å
333G94.8Very high92.7Very high0 Ų023.8 Ų23.80%013%0.126CC..EExtended strand (participates in β ladder)trans-112.3171.5179.500000113.8H313 G316 D335 H336 Q337H313-G333 PolarHBondContact CE1-N 3.1Å; G316-G333 CarbonylContact O-C 3.55Å; G316-G333 WeakPolarHBondContact O-CA 3.28Å; G333-D335 WeakPolarHBondContact CA-OD1 3.43Å; G333-D335 PolarHBondContact O-N 3.03Å; G333-H336 PolarHBondContact O-N 3.45Å; G333-Q337 PolarHBondContact N-O 2.87Å
334L93.7Very high92.3Very high118 Ų11831.5 Ų31.562%0.61816%0.155SC*.THydrogen-bonded Turntrans-65.2-17.5163.1-159.192.6000112G316 H336G316-L334 PolarHBondContact O-N 2.99Å; L334-H336 PolarHBondContact O-CD2 2.87Å; L334-H336 VanDerWaalsContact O-CD2 3.27Å; L334-H336 PolarHBondContact O-N 3.27Å
335D93.1Very high91.8Very high37 Ų3731.4 Ų31.420%0.19816%0.16CC..THydrogen-bonded Turntrans-768.2176.360.92.9000113.8H313 R314 G333 Q337H313-D335 WeakPolarHBondContact CA-OD2 3.41Å; H313-D335 VanDerWaalsContact CB-OD2 3.29Å; H313-D335 WeakPolarHBondContact CB-OD2 3.42Å; H313-D335 IonicContact CE1-OD1 3.35Å; H313-D335 IonicContact CG-OD1 2.83Å; H313-D335 IonicContact CG-OD2 3.56Å; H313-D335 IonicContact ND1-OD1 3.65Å; H313-D335 PolarHBondContact ND1-OD1 3.46Å; H313-D335 IonicContact ND1-OD2 3.35Å; H313-D335 PolarHBondContact ND1-OD2 2.9Å; R314-D335 PolarHBondContact N-OD2 3.37Å; G333-D335 WeakPolarHBondContact CA-OD1 3.43Å; G333-D335 PolarHBondContact O-N 3.03Å; D335-Q337 PolarHBondContact O-N 2.89Å; D335-Q337 VanDerWaalsContact O-N 3.1Å; D335-Q337 PolarHBondContact OD1-N 3.47Å; D335-Q337 VanDerWaalsContact OD1-N 3.17Å
336H93.6Very high91.1Very high83 Ų8335 Ų3538%0.38418%0.183SC..SBendtrans61.113.4-178.2-54.8-99.1000114.3G333 L334 L355 G358G333-H336 PolarHBondContact O-N 3.45Å; L334-H336 PolarHBondContact O-CD2 2.87Å; L334-H336 VanDerWaalsContact O-CD2 3.27Å; L334-H336 PolarHBondContact O-N 3.27Å; H336-L355 PolarHBondContact O-N 3.11Å; H336-G358 PolarHBondContact ND1-N 3.37Å
337Q94.4Very high90.8Very high58 Ų5837.6 Ų37.627%0.27119%0.192SC..EExtended strand (participates in β ladder)trans-92.7136.4176.2-61.9-174.1-17.100110.1H313 S332 G333 D335 R353H313-Q337 PolarHBondContact CE1-O 3.2Å; S332-Q337 WeakPolarHBondContact CA-O 3.42Å; G333-Q337 PolarHBondContact N-O 2.87Å; D335-Q337 PolarHBondContact O-N 2.89Å; D335-Q337 VanDerWaalsContact O-N 3.1Å; D335-Q337 PolarHBondContact OD1-N 3.47Å; D335-Q337 VanDerWaalsContact OD1-N 3.17Å; Q337-R353 WeakPolarHBondContact CA-O 3.36Å
338L95.2Very high90.6Very high0 Ų042.5 Ų42.50%021%0.214CC..EExtended strand (participates in β ladder)trans-103.5120.9163.8178.463.4000107.6S352 R353 L355 L362 L370 W381 L392L338-S352 CarbonylContact O-C 3.5Å; L338-S352 WeakPolarHBondContact O-CA 3.37Å; L338-R353 PolarHBondContact N-O 3.41Å; L338-R353 PolarHBondContact O-N 3.42Å; L338-L355 HydrophobicContact CB-CD1 3.88Å; L338-L355 HydrophobicContact CB-CG 4.16Å; L338-L355 HydrophobicContact CD2-CD1 4.38Å; L338-L362 HydrophobicContact CD1-CD1 3.92Å; L338-L362 HydrophobicContact CD1-CD2 3.77Å; L338-L370 HydrophobicContact CD1-CD2 4.34Å; L338-L370 HydrophobicContact CD2-CD2 4.05Å; L338-L370 HydrophobicContact CG-CD2 4.49Å; L338-W381 HydrophobicContact CD2-CE3 4.25Å; L338-W381 HydrophobicContact CD2-CH2 3.73Å; L338-W381 HydrophobicContact CD2-CZ2 4.22Å; L338-W381 HydrophobicContact CD2-CZ3 3.77Å; L338-L392 HydrophobicContact CD2-CD1 4.15Å; L338-L392 HydrophobicContact CD2-CD2 3.71Å; L338-L392 HydrophobicContact CG-CD1 4.13Å; L338-L392 HydrophobicContact CG-CD2 4.49Å
339K94.7Very high90.4Very high30 Ų3044.2 Ų44.213%0.1323%0.227CC..EExtended strand (participates in β ladder)trans-122.9140.3-178.5-69.8179.6-175.1171.80111C312 A330 T331 F341 P349 S351C312-K339 VanDerWaalsContact O-CD 3.27Å; C312-K339 WeakPolarHBondContact O-CD 3.48Å; C312-K339 PolarHBondContact O-NZ 2.79Å; A330-K339 CarbonylContact C-O 3.59Å; A330-K339 WeakPolarHBondContact CA-O 3.21Å; T331-K339 PolarHBondContact N-O 3.27Å; T331-K339 PolarHBondContact O-N 2.9Å; K339-F341 HydrophobicContact CB-CD2 4.31Å; K339-F341 HydrophobicContact CB-CE2 3.45Å; K339-F341 VanDerWaalsContact CB-CE2 3.45Å; K339-F341 HydrophobicContact CB-CZ 3.88Å; K339-F341 HydrophobicContact CD-CE2 4.41Å; K339-F341 HydrophobicContact CD-CZ 4.03Å; K339-P349 HydrophobicContact CB-CB 4.46Å; K339-P349 HydrophobicContact CD-CB 4.25Å; K339-P349 HydrophobicContact CG-CB 4.48Å; K339-S351 WeakPolarHBondContact CA-O 3.41Å
340I94.3Very high90.2Very high0 Ų048.8 Ų48.80%025%0.251CS..EExtended strand (participates in β ladder)trans-110.4135.8173.6-60.1164000108.2M329 P349 L350 S351 L370 P389 P390 L392M329-I340 CarbonylContact O-C 3.52Å; M329-I340 WeakPolarHBondContact O-CA 3.43Å; I340-P349 CarbonylContact O-C 3.5Å; I340-P349 WeakPolarHBondContact O-CA 3.47Å; I340-L350 HydrophobicContact CG2-CD1 4.48Å; I340-L350 PolarHBondContact O-N 3.05Å; I340-S351 PolarHBondContact N-O 3.02Å; I340-L370 HydrophobicContact CD1-CD2 4.49Å; I340-L370 HydrophobicContact CG1-CD2 4.46Å; I340-P389 HydrophobicContact CG2-CB 4.2Å; I340-P390 HydrophobicContact CD1-CG 3.72Å; I340-P390 WeakPolarHBondContact CD1-O 3.49Å; I340-L392 HydrophobicContact CD1-CD1 3.75Å; I340-L392 HydrophobicContact CD1-CD2 3.98Å; I340-L392 HydrophobicContact CD1-CG 3.73Å; I340-L392 HydrophobicContact CG1-CD1 4.15Å
341F93.2Very high89.9Confident1 Ų150.7 Ų50.70%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-123.4145.5-178.5-64.5-93.6000110.2I310 C312 Y328 M329 T331 K339 P349I310-F341 HydrophobicContact CG2-CD1 4.26Å; I310-F341 HydrophobicContact CG2-CE1 4.14Å; C312-F341 HydrophobicContact CB-CE2 4.02Å; C312-F341 HydrophobicContact CB-CZ 3.8Å; Y328-F341 CarbonylContact C-O 3.6Å; Y328-F341 VanDerWaalsContact CA-O 3.31Å; Y328-F341 WeakPolarHBondContact CA-O 3.09Å; M329-F341 HydrophobicContact CB-CB 4.46Å; M329-F341 HydrophobicContact CE-CB 4.08Å; M329-F341 HydrophobicContact CE-CD2 3.92Å; M329-F341 HydrophobicContact CE-CG 4.05Å; M329-F341 PolarHBondContact N-O 3.48Å; M329-F341 PolarHBondContact O-N 3.06Å; T331-F341 HydrophobicContact CG2-CD2 4.22Å; T331-F341 HydrophobicContact CG2-CE2 4.15Å; T331-F341 VanDerWaalsContact OG1-CE2 3.29Å; T331-F341 WeakPolarHBondContact OG1-CE2 3.29Å; K339-F341 HydrophobicContact CB-CD2 4.31Å; K339-F341 HydrophobicContact CB-CE2 3.45Å; K339-F341 VanDerWaalsContact CB-CE2 3.45Å; K339-F341 HydrophobicContact CB-CZ 3.88Å; K339-F341 HydrophobicContact CD-CE2 4.41Å; K339-F341 HydrophobicContact CD-CZ 4.03Å; F341-P349 HydrophobicContact CD1-CB 4.41Å; F341-P349 HydrophobicContact CE1-CB 3.9Å; F341-P349 HydrophobicContact CE1-CG 4.43Å; F341-P349 HydrophobicContact CZ-CB 4.08Å
342D91.2Very high89.7Confident30 Ų3053.6 Ų53.616%0.1629%0.285CS..EExtended strand (participates in β ladder)trans-88.9125.3162.3-163.9-32.4000108.8R344 L350D342-R344 VanDerWaalsContact C-N 3.35Å; D342-R344 WeakPolarHBondContact OD1-CB 2.98Å; D342-R344 PolarHBondContact OD1-N 2.95Å; D342-R344 IonicContact OD1-NE 3.66Å; D342-R344 PolarHBondContact OD1-NE 3.17Å; D342-R344 IonicContact OD1-NH2 3.68Å; D342-R344 IonicContact OD2-CZ 3.92Å; D342-R344 IonicContact OD2-NE 3.78Å; D342-R344 IonicContact OD2-NH2 2.87Å; D342-R344 PolarHBondContact OD2-NH2 3.18Å; D342-L350 HydrophobicContact CB-CD1 3.99Å; D342-L350 HydrophobicContact CB-CG 4.35Å
343L87.9Confident89.6Confident11 Ų1159.2 Ų59.26%0.05831%0.306CS..THydrogen-bonded Turntrans-80.3-16-180-67.2169.8000113.1I310 V322 G326 T327 M329I310-L343 HydrophobicContact CD1-CD2 4.5Å; V322-L343 HydrophobicContact CG1-CD1 3.99Å; G326-L343 WeakPolarHBondContact O-CD1 3.34Å; T327-L343 PolarHBondContact O-N 2.85Å; M329-L343 HydrophobicContact CB-CD1 4.1Å; M329-L343 HydrophobicContact CB-CD2 3.92Å; M329-L343 HydrophobicContact CB-CG 4Å; M329-L343 HydrophobicContact CE-CD2 4.32Å; M329-L343 HydrophobicContact SD-CD2 4.22Å
344R83.8Confident89.5Confident162 Ų16263.6 Ų63.661%0.61133%0.333SS*.THydrogen-bonded Turntrans-84.2-18179.6-55.8172.2-61.1-171.9-0.6112.8T327 D342T327-R344 VanDerWaalsContact CG2-NH2 3.34Å; D342-R344 VanDerWaalsContact C-N 3.35Å; D342-R344 WeakPolarHBondContact OD1-CB 2.98Å; D342-R344 PolarHBondContact OD1-N 2.95Å; D342-R344 IonicContact OD1-NE 3.66Å; D342-R344 PolarHBondContact OD1-NE 3.17Å; D342-R344 IonicContact OD1-NH2 3.68Å; D342-R344 IonicContact OD2-CZ 3.92Å; D342-R344 IonicContact OD2-NE 3.78Å; D342-R344 IonicContact OD2-NH2 2.87Å; D342-R344 PolarHBondContact OD2-NH2 3.18Å
345G79.3Confident89.4Confident38 Ų3858.6 Ų58.639%0.39231%0.307SS..THydrogen-bonded Turntrans-112.7-151.5-166.600000115.5F347G345-F347 PolarHBondContact O-N 3.32Å
346T72.5Confident89.3Confident119 Ų11962.9 Ų62.973%0.7334%0.336SS*.THydrogen-bonded Turntrans-668.5-174.250.10000115.3Q348T346-Q348 PolarHBondContact O-N 3.02Å; T346-Q348 VanDerWaalsContact O-N 3.1Å
347F81.7Confident89.1Confident60 Ų6063.2 Ų63.226%0.26334%0.338SS..  trans50.829.1-174.9-59.9-71000113.9A308 I310 G345 L471A308-F347 HydrophobicContact CB-CE2 4.47Å; A308-F347 HydrophobicContact CB-CZ 4.24Å; I310-F347 HydrophobicContact CD1-CB 4.39Å; I310-F347 HydrophobicContact CD1-CD1 3.37Å; I310-F347 HydrophobicContact CD1-CE1 3.89Å; I310-F347 HydrophobicContact CD1-CG 4.12Å; I310-F347 HydrophobicContact CG1-CB 4.1Å; I310-F347 HydrophobicContact CG1-CD1 3.79Å; I310-F347 HydrophobicContact CG1-CE1 4.44Å; I310-F347 HydrophobicContact CG1-CG 4.04Å; I310-F347 HydrophobicContact CG2-CB 4.2Å; G345-F347 PolarHBondContact O-N 3.32Å; F347-L471 HydrophobicContact CZ-CD2 4.47Å
348Q85.4Confident88.8Confident124 Ų12460.5 Ų60.558%0.57933%0.326SS*.  trans-90.6151.3174.6-66.4-58.7-42.700110.8T346 L350T346-Q348 PolarHBondContact O-N 3.02Å; T346-Q348 VanDerWaalsContact O-N 3.1Å; Q348-L350 PolarHBondContact O-N 2.87Å
349P88.6Confident88.8Confident57 Ų5760.5 Ų60.537%0.3733%0.326SS..EExtended strand (participates in β ladder)trans-68124.5175.528.3-32.7000109.9K339 I340 F341K339-P349 HydrophobicContact CB-CB 4.46Å; K339-P349 HydrophobicContact CD-CB 4.25Å; K339-P349 HydrophobicContact CG-CB 4.48Å; I340-P349 CarbonylContact O-C 3.5Å; I340-P349 WeakPolarHBondContact O-CA 3.47Å; F341-P349 HydrophobicContact CD1-CB 4.41Å; F341-P349 HydrophobicContact CE1-CB 3.9Å; F341-P349 HydrophobicContact CE1-CG 4.43Å; F341-P349 HydrophobicContact CZ-CB 4.08Å
350L88.9Confident88.7Confident95 Ų9559.6 Ų59.650%0.49733%0.325SS..EExtended strand (participates in β ladder)trans-73.2-46173.2-71175.7000111.4Y328 I340 D342 Q348 P389Y328-L350 HydrophobicContact CD1-CD1 3.87Å; Y328-L350 HydrophobicContact CE1-CD1 3.71Å; I340-L350 HydrophobicContact CG2-CD1 4.48Å; I340-L350 PolarHBondContact O-N 3.05Å; D342-L350 HydrophobicContact CB-CD1 3.99Å; D342-L350 HydrophobicContact CB-CG 4.35Å; Q348-L350 PolarHBondContact O-N 2.87Å; L350-P389 HydrophobicContact CD1-CB 4.46Å
351S89.3Confident88.7Confident41 Ų4161.5 Ų61.529%0.28733%0.334SS..EExtended strand (participates in β ladder)trans-139.9145.5-179.6-176.60000109.2K339 I340K339-S351 WeakPolarHBondContact CA-O 3.41Å; I340-S351 PolarHBondContact N-O 3.02Å
352S92.4Very high88.9Confident60 Ų6062.2 Ų62.242%0.4234%0.338SS..EExtended strand (participates in β ladder)trans-139130.1179.2179.80000108.9L338L338-S352 CarbonylContact O-C 3.5Å; L338-S352 WeakPolarHBondContact O-CA 3.37Å
353R93Very high89.1Confident119 Ų11961.2 Ų61.245%0.44933%0.334SS..EExtended strand (participates in β ladder)trans-130.1133.2175.8-174.768.6-175.7-157.8-3.9110.3Q337 L338 L355 L392Q337-R353 WeakPolarHBondContact CA-O 3.36Å; L338-R353 PolarHBondContact N-O 3.41Å; L338-R353 PolarHBondContact O-N 3.42Å; R353-L355 HydrophobicContact CG-CD2 4.44Å; R353-L392 HydrophobicContact CB-CB 3.76Å; R353-L392 HydrophobicContact CB-CD1 3.84Å; R353-L392 HydrophobicContact CB-CG 4.43Å; R353-L392 WeakPolarHBondContact CD-O 3.37Å; R353-L392 HydrophobicContact CG-CB 4.29Å
354T93.6Very high89.4Confident93 Ų9361.9 Ų61.957%0.57134%0.336SS*.EExtended strand (participates in β ladder)trans-81.8126.1170.2-51.90000109.1
355L92.3Very high89.9Confident12 Ų1254.3 Ų54.36%0.06331%0.308CS..  trans-98.7152.3176.6-62.6178.6000110H336 L338 R353 Q357 A359 M374 W381H336-L355 PolarHBondContact O-N 3.11Å; L338-L355 HydrophobicContact CB-CD1 3.88Å; L338-L355 HydrophobicContact CB-CG 4.16Å; L338-L355 HydrophobicContact CD2-CD1 4.38Å; R353-L355 HydrophobicContact CG-CD2 4.44Å; L355-Q357 VanDerWaalsContact CB-O 3.3Å; L355-Q357 WeakPolarHBondContact CB-O 3.35Å; L355-Q357 PolarHBondContact O-N 3.17Å; L355-A359 HydrophobicContact CD1-CB 4.13Å; L355-M374 HydrophobicContact CB-SD 3.89Å; L355-M374 HydrophobicContact CD1-CE 3.71Å; L355-M374 HydrophobicContact CD1-CG 4.3Å; L355-M374 HydrophobicContact CD1-SD 3.9Å; L355-M374 HydrophobicContact CD2-CE 3.58Å; L355-M374 HydrophobicContact CD2-SD 3.98Å; L355-M374 HydrophobicContact CG-CE 4.12Å; L355-M374 HydrophobicContact CG-SD 4.14Å; L355-W381 HydrophobicContact CD2-CH2 4.08Å; L355-W381 HydrophobicContact CD2-CZ2 3.89Å
356P90.3Very high90.4Very high127 Ų12754.3 Ų54.383%0.82530%0.298SS*.SBendtrans-59.8-38174.6-22.633.3000112.2
357Q90.1Very high91.2Very high90 Ų9052.2 Ų52.242%0.42128%0.277SS..SBendtrans-130.7139.7174.1-168.8176.918.600108.5L355 A359 M374L355-Q357 VanDerWaalsContact CB-O 3.3Å; L355-Q357 WeakPolarHBondContact CB-O 3.35Å; L355-Q357 PolarHBondContact O-N 3.17Å; Q357-A359 PolarHBondContact O-N 3.25Å; Q357-M374 HydrophobicContact CB-CB 4.48Å; Q357-M374 WeakPolarHBondContact O-CG 3.4Å
358G87.4Confident91.6Very high1 Ų149.6 Ų49.61%0.0127%0.266CS..  trans-57.2138.1175.500000110.5R318 H336 G360R318-G358 VanDerWaalsContact NH1-C 3.25Å; R318-G358 PolarHBondContact NH1-O 3.21Å; H336-G358 PolarHBondContact ND1-N 3.37Å; G358-G360 PolarHBondContact O-N 3.46Å
359A94.3Very high92Very high0 Ų044.2 Ų44.20%024%0.242CC..  trans-70126.217700000110.2R318 S332 L355 Q357 L362 A372 G373R318-A359 WeakPolarHBondContact CB-O 3.33Å; S332-A359 WeakPolarHBondContact CB-O 3.48Å; S332-A359 PolarHBondContact OG-O 3.22Å; L355-A359 HydrophobicContact CD1-CB 4.13Å; Q357-A359 PolarHBondContact O-N 3.25Å; A359-L362 HydrophobicContact CB-CD2 4.03Å; A359-L362 HydrophobicContact CB-CG 4.5Å; A359-A372 HydrophobicContact CB-CB 3.7Å; A359-G373 CarbonylContact C-O 3.55Å; A359-G373 WeakPolarHBondContact CA-O 3.49Å
360G93.4Very high92.3Very high11 Ų1141.5 Ų41.511%0.11322%0.224CC..SBendtrans-81.4-29.3178.500000113.6R318 G358 G373R318-G360 VanDerWaalsContact NH2-CA 3.31Å; G358-G360 PolarHBondContact O-N 3.46Å; G360-G373 PolarHBondContact N-O 3.02Å
361H94.8Very high92.6Very high40 Ų4037 Ų3719%0.18520%0.201CC..EExtended strand (participates in β ladder)trans-141145180-60.687.4000108.8G373 V405 H406 L408H361-G373 PolarHBondContact O-N 3.14Å; H361-V405 PolarHBondContact CE1-O 3.27Å; H361-V405 PolarHBondContact ND1-O 2.9Å; H361-H406 PolarHBondContact CD2-O 2.77Å; H361-H406 VanDerWaalsContact CE1-C 3.41Å; H361-H406 WeakPolarHBondContact CE1-CA 3.4Å; H361-H406 PolarHBondContact CE1-O 3.17Å; H361-H406 VanDerWaalsContact CE1-O 3.28Å; H361-H406 PolarHBondContact NE2-O 3.04Å; H361-L408 HydrophobicContact CB-CB 4.37Å; H361-L408 HydrophobicContact CB-CD1 3.77Å; H361-L408 HydrophobicContact CB-CG 4.1Å; H361-L408 WeakPolarHBondContact O-CD1 3.46Å
362L96Very high93Very high16 Ų1635 Ų358%0.08419%0.187CC..EExtended strand (participates in β ladder)trans-132.6147.4177.5-68.5173.8000109.1A319 A321 A330 L338 A359 L370 V371 A372A319-L362 HydrophobicContact CB-CB 4.03Å; A319-L362 HydrophobicContact CB-CD1 4.06Å; A319-L362 HydrophobicContact CB-CG 3.79Å; A321-L362 HydrophobicContact CB-CB 3.74Å; A330-L362 HydrophobicContact CB-CD1 4.28Å; L338-L362 HydrophobicContact CD1-CD1 3.92Å; L338-L362 HydrophobicContact CD1-CD2 3.77Å; A359-L362 HydrophobicContact CB-CD2 4.03Å; A359-L362 HydrophobicContact CB-CG 4.5Å; L362-L370 HydrophobicContact CD2-CD1 4.36Å; L362-V371 VanDerWaalsContact CA-O 3.32Å; L362-V371 WeakPolarHBondContact CA-O 3.49Å; L362-V371 WeakPolarHBondContact CD2-O 3.35Å; L362-A372 HydrophobicContact CD2-CB 3.47Å; L362-A372 VanDerWaalsContact CD2-CB 3.47Å
363A95.6Very high93.1Very high10 Ų1032.2 Ų32.28%0.08317%0.167CC..EExtended strand (participates in β ladder)trans-149143.2171.100000110.2V371 L408 F410A363-V371 PolarHBondContact N-O 3.17Å; A363-V371 PolarHBondContact O-N 2.79Å; A363-L408 HydrophobicContact CB-CB 4.31Å; A363-F410 HydrophobicContact CB-CD2 4.23Å; A363-F410 HydrophobicContact CB-CE2 4.45Å
364F94.9Very high93.1Very high25 Ų2527.1 Ų27.111%0.1115%0.149CC..EExtended strand (participates in β ladder)trans-98145.2168.1-84.2-77.9000110.5A321 D323 A330 L369 L370 P390 F410A321-F364 HydrophobicContact CB-CD2 3.69Å; A321-F364 HydrophobicContact CB-CE2 4.15Å; A321-F364 WeakPolarHBondContact O-CE2 3.48Å; D323-F364 HydrophobicContact CB-CD1 4.36Å; D323-F364 HydrophobicContact CB-CD2 4.43Å; D323-F364 HydrophobicContact CB-CG 4.27Å; A330-F364 HydrophobicContact CB-CE2 3.47Å; A330-F364 VanDerWaalsContact CB-CE2 3.47Å; A330-F364 HydrophobicContact CB-CZ 3.62Å; F364-L369 CarbonylContact C-O 3.58Å; F364-L369 WeakPolarHBondContact CA-O 3.45Å; F364-L370 HydrophobicContact CD1-CB 4.28Å; F364-L370 HydrophobicContact CD1-CD1 4.23Å; F364-L370 HydrophobicContact CD2-CD1 4.23Å; F364-L370 HydrophobicContact CE1-CB 3.99Å; F364-L370 HydrophobicContact CE1-CD1 4.01Å; F364-L370 HydrophobicContact CE1-CG 4.47Å; F364-L370 HydrophobicContact CE2-CD1 4.01Å; F364-L370 HydrophobicContact CG-CD1 4.35Å; F364-L370 HydrophobicContact CZ-CD1 3.91Å; F364-P390 HydrophobicContact CE1-CG 4.03Å; F364-F410 VanDerWaalsContact C-CD2 3.46Å; F364-F410 WeakPolarHBondContact O-CD2 3.27Å
365S94Very high93Very high3 Ų323.3 Ų23.32%0.02113%0.128CC..  trans-87166.1169.990.90000110.9R367 G368 L369 A433S365-R367 PolarHBondContact O-N 2.96Å; S365-R367 PolarHBondContact OG-N 3.12Å; S365-G368 PolarHBondContact O-N 2.92Å; S365-G368 VanDerWaalsContact O-N 3.12Å; S365-G368 PolarHBondContact OG-N 2.94Å; S365-L369 PolarHBondContact N-O 3.27Å; S365-L369 WeakPolarHBondContact OG-CB 3.3Å; S365-L369 PolarHBondContact OG-N 3.46Å; S365-A433 WeakPolarHBondContact CB-O 3.36Å; S365-A433 PolarHBondContact OG-O 3.12Å
366Q90.6Very high93.1Very high38 Ų3824.5 Ų24.518%0.17813%0.134CC..THydrogen-bonded Turntrans-63-26.4177-70.3174.1-38.300112.7S324 K386 A433 E435S324-Q366 PolarHBondContact OG-O 2.87Å; S324-Q366 VanDerWaalsContact OG-O 3.12Å; Q366-K386 WeakPolarHBondContact O-CE 3.39Å; Q366-A433 PolarHBondContact N-O 3.33Å; Q366-E435 HydrophobicContact CB-CB 4.11Å; Q366-E435 VanDerWaalsContact OE1-N 3.12Å
367R89.9Confident93.3Very high74 Ų7420.1 Ų20.128%0.27911%0.105SC..THydrogen-bonded Turntrans-944.2176.6-69.3-172.366.9-149.613.3114.5G157 S365 G432 A433 A434G157-R367 PolarHBondContact O-NH1 3.2Å; S365-R367 PolarHBondContact O-N 2.96Å; S365-R367 PolarHBondContact OG-N 3.12Å; R367-G432 PolarHBondContact NH1-O 2.91Å; R367-G432 VanDerWaalsContact NH1-O 3.16Å; R367-A433 PolarHBondContact N-O 2.85Å; R367-A434 WeakPolarHBondContact CD-O 3.42Å; R367-A434 WeakPolarHBondContact CG-O 3.49Å
368G89.3Confident93.6Very high5 Ų515.9 Ų15.95%0.0529%0.086CC..  trans87.815.5176.800000115.1S365S365-G368 PolarHBondContact O-N 2.92Å; S365-G368 VanDerWaalsContact O-N 3.12Å; S365-G368 PolarHBondContact OG-N 2.94Å
369L93.3Very high94Very high12 Ų1217 Ų176%0.0639%0.091CC..  trans-67.3137.1165.4-60.7-177.7000109.1F364 S365 I380 W381 A382 Y396 F410 V430 A433F364-L369 CarbonylContact C-O 3.58Å; F364-L369 WeakPolarHBondContact CA-O 3.45Å; S365-L369 PolarHBondContact N-O 3.27Å; S365-L369 WeakPolarHBondContact OG-CB 3.3Å; S365-L369 PolarHBondContact OG-N 3.46Å; L369-I380 HydrophobicContact CB-CG2 4.23Å; L369-I380 HydrophobicContact CD1-CG2 4.27Å; L369-W381 WeakPolarHBondContact CA-O 3.26Å; L369-A382 VanDerWaalsContact CD2-CA 3.5Å; L369-A382 HydrophobicContact CD2-CB 3.52Å; L369-Y396 HydrophobicContact CD1-CD1 4.48Å; L369-Y396 HydrophobicContact CD1-CE1 4.33Å; L369-Y396 HydrophobicContact CD2-CD1 4.5Å; L369-F410 HydrophobicContact CB-CZ 4.19Å; L369-V430 HydrophobicContact CD1-CG1 3.75Å; L369-A433 VanDerWaalsContact CD1-CA 3.45Å; L369-A433 HydrophobicContact CD1-CB 3.81Å
370L95.2Very high94Very high0 Ų017 Ų170%09%0.091CC..EExtended strand (participates in β ladder)trans-105.8128.5174.4177.364.9000109.5A330 L338 I340 L362 F364 I380 W381 P390 L392A330-L370 HydrophobicContact CB-CD1 3.6Å; A330-L370 HydrophobicContact CB-CD2 3.83Å; A330-L370 HydrophobicContact CB-CG 4.4Å; L338-L370 HydrophobicContact CD1-CD2 4.34Å; L338-L370 HydrophobicContact CD2-CD2 4.05Å; L338-L370 HydrophobicContact CG-CD2 4.49Å; I340-L370 HydrophobicContact CD1-CD2 4.49Å; I340-L370 HydrophobicContact CG1-CD2 4.46Å; L362-L370 HydrophobicContact CD2-CD1 4.36Å; F364-L370 HydrophobicContact CD1-CB 4.28Å; F364-L370 HydrophobicContact CD1-CD1 4.23Å; F364-L370 HydrophobicContact CD2-CD1 4.23Å; F364-L370 HydrophobicContact CE1-CB 3.99Å; F364-L370 HydrophobicContact CE1-CD1 4.01Å; F364-L370 HydrophobicContact CE1-CG 4.47Å; F364-L370 HydrophobicContact CE2-CD1 4.01Å; F364-L370 HydrophobicContact CG-CD1 4.35Å; F364-L370 HydrophobicContact CZ-CD1 3.91Å; L370-I380 CarbonylContact O-C 3.48Å; L370-I380 VanDerWaalsContact O-CA 3.32Å; L370-I380 WeakPolarHBondContact O-CA 2.99Å; L370-W381 HydrophobicContact CD2-CE3 4.48Å; L370-W381 HydrophobicContact CG-CE3 4.35Å; L370-W381 PolarHBondContact N-O 3.39Å; L370-W381 PolarHBondContact O-N 2.64Å; L370-P390 HydrophobicContact CB-CB 4.19Å; L370-P390 HydrophobicContact CB-CG 3.74Å; L370-P390 HydrophobicContact CD2-CG 4.21Å; L370-L392 HydrophobicContact CD2-CD2 4.2Å
371V96Very high94.1Very high0 Ų016.8 Ų16.80%09%0.087CC..EExtended strand (participates in β ladder)trans-106.5136.3172.5142.30000109.8L362 A363 V378 N379 I380 L408 F410 L417L362-V371 VanDerWaalsContact CA-O 3.32Å; L362-V371 WeakPolarHBondContact CA-O 3.49Å; L362-V371 WeakPolarHBondContact CD2-O 3.35Å; A363-V371 PolarHBondContact N-O 3.17Å; A363-V371 PolarHBondContact O-N 2.79Å; V371-V378 HydrophobicContact CG1-CG1 4.07Å; V371-V378 HydrophobicContact CG2-CG1 4.24Å; V371-N379 CarbonylContact C-O 3.56Å; V371-N379 WeakPolarHBondContact CA-O 3.39Å; V371-I380 HydrophobicContact CG2-CB 4.21Å; V371-I380 HydrophobicContact CG2-CD1 3.79Å; V371-I380 HydrophobicContact CG2-CG1 3.58Å; V371-I380 HydrophobicContact CG2-CG2 4.13Å; V371-L408 HydrophobicContact CG1-CB 3.97Å; V371-L408 HydrophobicContact CG1-CD1 3.42Å; V371-L408 VanDerWaalsContact CG1-CD1 3.42Å; V371-L408 HydrophobicContact CG1-CD2 3.93Å; V371-L408 HydrophobicContact CG1-CG 3.96Å; V371-F410 HydrophobicContact CB-CE2 3.83Å; V371-F410 HydrophobicContact CB-CZ 3.88Å; V371-F410 HydrophobicContact CG2-CE1 4.15Å; V371-F410 HydrophobicContact CG2-CE2 3.83Å; V371-F410 HydrophobicContact CG2-CZ 3.33Å; V371-L417 HydrophobicContact CB-CD1 4.49Å; V371-L417 HydrophobicContact CG1-CD1 4.2Å; V371-L417 HydrophobicContact CG1-CD2 4.22Å; V371-L417 HydrophobicContact CG2-CD1 4.08Å; V371-L417 HydrophobicContact CG2-CD2 3.62Å; V371-L417 HydrophobicContact CG2-CG 4.49Å
372A96Very high93.8Very high0 Ų016.4 Ų16.40%09%0.091CC..EExtended strand (participates in β ladder)trans-128.5128.1166.800000112.4A359 L362 M374 V378 N379 W381A359-A372 HydrophobicContact CB-CB 3.7Å; L362-A372 HydrophobicContact CD2-CB 3.47Å; L362-A372 VanDerWaalsContact CD2-CB 3.47Å; A372-M374 HydrophobicContact CB-CE 4.25Å; A372-V378 WeakPolarHBondContact O-CA 3.45Å; A372-N379 PolarHBondContact N-O 3.05Å; A372-N379 PolarHBondContact O-N 2.86Å; A372-W381 HydrophobicContact CB-CH2 3.64Å; A372-W381 HydrophobicContact CB-CZ3 3.34Å
373G95.3Very high93Very high1 Ų116.8 Ų16.81%0.0110%0.099CC..EExtended strand (participates in β ladder)trans-90.9112.6171.800000111.4A359 G360 H361 L408A359-G373 CarbonylContact C-O 3.55Å; A359-G373 WeakPolarHBondContact CA-O 3.49Å; G360-G373 PolarHBondContact N-O 3.02Å; H361-G373 PolarHBondContact O-N 3.14Å; G373-L408 VanDerWaalsContact N-CD1 3.25Å
374M93.4Very high91.7Very high11 Ų1125.8 Ų25.85%0.05414%0.139CC..EExtended strand (participates in β ladder)trans-108.692.3175.9-65.7177.2-125.300109.4L355 Q357 A372 D376 V377 N379 W381L355-M374 HydrophobicContact CB-SD 3.89Å; L355-M374 HydrophobicContact CD1-CE 3.71Å; L355-M374 HydrophobicContact CD1-CG 4.3Å; L355-M374 HydrophobicContact CD1-SD 3.9Å; L355-M374 HydrophobicContact CD2-CE 3.58Å; L355-M374 HydrophobicContact CD2-SD 3.98Å; L355-M374 HydrophobicContact CG-CE 4.12Å; L355-M374 HydrophobicContact CG-SD 4.14Å; Q357-M374 HydrophobicContact CB-CB 4.48Å; Q357-M374 WeakPolarHBondContact O-CG 3.4Å; A372-M374 HydrophobicContact CB-CE 4.25Å; M374-D376 PolarHBondContact O-N 2.91Å; M374-D376 VanDerWaalsContact O-N 3.1Å; M374-V377 CarbonylContact C-O 3.53Å; M374-V377 PolarHBondContact N-O 2.81Å; M374-V377 PolarHBondContact O-N 2.87Å; M374-N379 HydrophobicContact CE-CB 3.68Å; M374-N379 WeakPolarHBondContact CE-ND2 3.47Å; M374-W381 HydrophobicContact CE-CH2 3.51Å; M374-W381 HydrophobicContact CE-CZ2 4.02Å
375G91.8Very high90.2Very high13 Ų1326 Ų2613%0.13415%0.148CC..THydrogen-bonded Turntrans64.2-115.4-177.900000110.7H404 V405G375-H404 CarbonylContact O-C 3.59Å; G375-H404 VanDerWaalsContact O-CA 3.32Å; G375-H404 WeakPolarHBondContact O-CA 3.34Å; G375-V405 WeakPolarHBondContact O-CG2 3.36Å; G375-V405 PolarHBondContact O-N 3.1Å
376D93.4Very high88.8Confident37 Ų3729.1 Ų29.120%0.19816%0.162CC..THydrogen-bonded Turntrans-92.7-4.2175.662.3-30.1000113.8M374 R400 L401M374-D376 PolarHBondContact O-N 2.91Å; M374-D376 VanDerWaalsContact O-N 3.1Å; D376-R400 IonicContact OD2-CZ 3.88Å; D376-R400 VanDerWaalsContact OD2-CZ 3.26Å; D376-R400 IonicContact OD2-NE 3.18Å; D376-R400 PolarHBondContact OD2-NE 3.07Å; D376-R400 IonicContact OD2-NH2 2.85Å; D376-R400 PolarHBondContact OD2-NH2 2.92Å; D376-L401 WeakPolarHBondContact O-CB 3.48Å; D376-L401 PolarHBondContact O-N 2.89Å
377V94.9Very high87.4Confident36 Ų3631 Ų3122%0.21818%0.184CC..EExtended strand (participates in β ladder)trans-104.9137.8-178.8-176.90000110.5M374 N379 T398 H399 R400M374-V377 CarbonylContact C-O 3.53Å; M374-V377 PolarHBondContact N-O 2.81Å; M374-V377 PolarHBondContact O-N 2.87Å; V377-N379 WeakPolarHBondContact CG1-OD1 3.13Å; V377-T398 HydrophobicContact CG1-CG2 3.72Å; V377-H399 CarbonylContact C-O 3.58Å; V377-H399 WeakPolarHBondContact CA-O 3.48Å; V377-R400 HydrophobicContact CG2-CG 4.32Å
378V96Very high86.8Confident1 Ų129 Ų291%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-112.2122.3171.61800000108.7V371 A372 I380 T398 H399 L401 V405 L408 L417 V419V371-V378 HydrophobicContact CG1-CG1 4.07Å; V371-V378 HydrophobicContact CG2-CG1 4.24Å; A372-V378 WeakPolarHBondContact O-CA 3.45Å; V378-I380 HydrophobicContact CG1-CG1 4.44Å; V378-T398 WeakPolarHBondContact O-CA 3.38Å; V378-H399 PolarHBondContact N-O 2.78Å; V378-H399 PolarHBondContact O-N 3.42Å; V378-L401 HydrophobicContact CG2-CD1 3.67Å; V378-V405 HydrophobicContact CG2-CG2 3.9Å; V378-L408 HydrophobicContact CG1-CD2 4.49Å; V378-L408 HydrophobicContact CG2-CD2 4.19Å; V378-L417 HydrophobicContact CG1-CD2 3.93Å; V378-V419 HydrophobicContact CG2-CG1 4.4Å; V378-V419 HydrophobicContact CG2-CG2 4.47Å
379N95.5Very high86.4Confident25 Ų2531.1 Ų31.113%0.13419%0.194CC..EExtended strand (participates in β ladder)trans-105.7138171.1-70.76000109.5V371 A372 M374 V377 W381 P395 T398V371-N379 CarbonylContact C-O 3.56Å; V371-N379 WeakPolarHBondContact CA-O 3.39Å; A372-N379 PolarHBondContact N-O 3.05Å; A372-N379 PolarHBondContact O-N 2.86Å; M374-N379 HydrophobicContact CE-CB 3.68Å; M374-N379 WeakPolarHBondContact CE-ND2 3.47Å; V377-N379 WeakPolarHBondContact CG1-OD1 3.13Å; N379-W381 HydrophobicContact CB-CE3 4.48Å; N379-W381 HydrophobicContact CB-CH2 3.54Å; N379-W381 HydrophobicContact CB-CZ2 3.74Å; N379-W381 HydrophobicContact CB-CZ3 3.92Å; N379-W381 WeakPolarHBondContact O-CZ3 3.49Å; N379-P395 HydrophobicContact CB-CB 4.49Å; N379-T398 WeakPolarHBondContact OD1-CG2 3.47Å
380I95.6Very high86Confident0 Ų030.8 Ų30.80%019%0.193CC..EExtended strand (participates in β ladder)trans-116136.4175.9-45.3-163000107.3L369 L370 V371 V378 P395 Y396 L397 L417 V430L369-I380 HydrophobicContact CB-CG2 4.23Å; L369-I380 HydrophobicContact CD1-CG2 4.27Å; L370-I380 CarbonylContact O-C 3.48Å; L370-I380 VanDerWaalsContact O-CA 3.32Å; L370-I380 WeakPolarHBondContact O-CA 2.99Å; V371-I380 HydrophobicContact CG2-CB 4.21Å; V371-I380 HydrophobicContact CG2-CD1 3.79Å; V371-I380 HydrophobicContact CG2-CG1 3.58Å; V371-I380 HydrophobicContact CG2-CG2 4.13Å; V378-I380 HydrophobicContact CG1-CG1 4.44Å; I380-P395 CarbonylContact O-C 3.39Å; I380-P395 VanDerWaalsContact O-CA 3.28Å; I380-P395 WeakPolarHBondContact O-CA 3.48Å; I380-Y396 HydrophobicContact CB-CD1 4.46Å; I380-Y396 HydrophobicContact CG2-CD1 4.01Å; I380-Y396 WeakPolarHBondContact O-CB 3.4Å; I380-Y396 PolarHBondContact O-N 3.38Å; I380-L397 HydrophobicContact CB-CB 4.2Å; I380-L397 HydrophobicContact CD1-CB 4.2Å; I380-L397 HydrophobicContact CD1-CD2 4.09Å; I380-L397 HydrophobicContact CG1-CB 4.19Å; I380-L397 HydrophobicContact CG1-CD2 4.43Å; I380-L397 PolarHBondContact N-O 3.35Å; I380-L397 PolarHBondContact O-N 3.14Å; I380-L417 HydrophobicContact CD1-CD2 4.2Å; I380-V430 HydrophobicContact CD1-CB 4.15Å; I380-V430 HydrophobicContact CD1-CG1 3.58Å; I380-V430 HydrophobicContact CD1-CG2 3.38Å; I380-V430 HydrophobicContact CG2-CG1 4.25Å
381W94.3Very high85.6Confident6 Ų633.4 Ų33.42%0.02321%0.211CC..EExtended strand (participates in β ladder)trans-120.1139.5172.3-64.3-90.2000110.1L338 L355 L369 L370 A372 M374 N379 P390 S391 L392L338-W381 HydrophobicContact CD2-CE3 4.25Å; L338-W381 HydrophobicContact CD2-CH2 3.73Å; L338-W381 HydrophobicContact CD2-CZ2 4.22Å; L338-W381 HydrophobicContact CD2-CZ3 3.77Å; L355-W381 HydrophobicContact CD2-CH2 4.08Å; L355-W381 HydrophobicContact CD2-CZ2 3.89Å; L369-W381 WeakPolarHBondContact CA-O 3.26Å; L370-W381 HydrophobicContact CD2-CE3 4.48Å; L370-W381 HydrophobicContact CG-CE3 4.35Å; L370-W381 PolarHBondContact N-O 3.39Å; L370-W381 PolarHBondContact O-N 2.64Å; A372-W381 HydrophobicContact CB-CH2 3.64Å; A372-W381 HydrophobicContact CB-CZ3 3.34Å; M374-W381 HydrophobicContact CE-CH2 3.51Å; M374-W381 HydrophobicContact CE-CZ2 4.02Å; N379-W381 HydrophobicContact CB-CE3 4.48Å; N379-W381 HydrophobicContact CB-CH2 3.54Å; N379-W381 HydrophobicContact CB-CZ2 3.74Å; N379-W381 HydrophobicContact CB-CZ3 3.92Å; N379-W381 WeakPolarHBondContact O-CZ3 3.49Å; W381-P390 HydrophobicContact CB-CB 4.2Å; W381-S391 WeakPolarHBondContact CB-O 3.32Å; W381-S391 VanDerWaalsContact CD1-O 3.28Å; W381-L392 HydrophobicContact CB-CD2 4.22Å; W381-L392 HydrophobicContact CD2-CD2 3.88Å; W381-L392 HydrophobicContact CE3-CD2 4.36Å; W381-L392 HydrophobicContact CG-CD2 3.8Å
382A89.5Confident85.2Confident31 Ų3133.7 Ų33.726%0.25621%0.213SC..  trans-103.1147.3177.400000111.4L369 S391 Y396L369-A382 VanDerWaalsContact CD2-CA 3.5Å; L369-A382 HydrophobicContact CD2-CB 3.52Å; A382-S391 PolarHBondContact O-N 2.88Å; A382-Y396 HydrophobicContact CB-CD2 3.99Å; A382-Y396 HydrophobicContact CB-CG 3.96Å
383G79.4Confident84.7Confident25 Ų2540.7 Ų40.726%0.25825%0.245SC..  trans-101.8171.8164.700000110.8G385G383-G385 PolarHBondContact O-N 2.74Å
384Q68.3Low84.4Confident198 Ų19847.3 Ų47.393%0.92528%0.276SS*.SBendtrans-80.638.3172.8-62.7-153.9-23.500112.5S388Q384-S388 WeakPolarHBondContact CA-OG 3.42Å; Q384-S388 PolarHBondContact N-OG 2.87Å
385G63.8Low84.3Confident30 Ų3048.6 Ų48.631%0.30929%0.285SS..SBendtrans118175178.300000115.2G383 A387 S388G383-G385 PolarHBondContact O-N 2.74Å; G385-A387 PolarHBondContact O-N 3.37Å; G385-A387 VanDerWaalsContact O-N 3.09Å; G385-S388 PolarHBondContact N-OG 3Å; G385-S388 PolarHBondContact O-N 2.92Å; G385-S388 VanDerWaalsContact O-N 3.1Å; G385-S388 PolarHBondContact O-OG 2.86Å
386K62.6Low84.3Confident68 Ų6849.1 Ų49.130%0.29628%0.283SS..THydrogen-bonded Turntrans-58-25.6-168.1-161177.5-166.6178.80114.9T325 Q366 E435T325-K386 HydrophobicContact CG2-CG 4.22Å; Q366-K386 WeakPolarHBondContact O-CE 3.39Å; K386-E435 IonicContact NZ-OE1 2.71Å; K386-E435 PolarHBondContact NZ-OE1 3.44Å; K386-E435 IonicContact NZ-OE2 2.86Å; K386-E435 PolarHBondContact NZ-OE2 2.58Å
387A62.1Low84.4Confident79 Ų7947.4 Ų47.465%0.65327%0.274SS*.THydrogen-bonded Turntrans-107.54.9-17600000113.7Y328 G385Y328-A387 PolarHBondContact OH-O 2.77Å; G385-A387 PolarHBondContact O-N 3.37Å; G385-A387 VanDerWaalsContact O-N 3.09Å
388S77.4Confident84.4Confident32 Ų3247.9 Ų47.922%0.22428%0.277CS..SBendtrans-108.5144.7177.365.30000110.3Q384 G385Q384-S388 WeakPolarHBondContact CA-OG 3.42Å; Q384-S388 PolarHBondContact N-OG 2.87Å; G385-S388 PolarHBondContact N-OG 3Å; G385-S388 PolarHBondContact O-N 2.92Å; G385-S388 VanDerWaalsContact O-N 3.1Å; G385-S388 PolarHBondContact O-OG 2.86Å
389P81.3Confident84.3Confident49 Ų4949.7 Ų49.732%0.31829%0.285SS..PPolyproline II helixtrans-66.5147.3174.329.6-34.1000110Y328 I340 L350 S391Y328-P389 HydrophobicContact CD1-CB 4.35Å; Y328-P389 HydrophobicContact CE1-CB 4.21Å; Y328-P389 HydrophobicContact CE1-CG 4.5Å; I340-P389 HydrophobicContact CG2-CB 4.2Å; L350-P389 HydrophobicContact CD1-CB 4.46Å; P389-S391 PolarHBondContact O-N 3.43Å
390P84.6Confident84.2Confident5 Ų557.1 Ų57.13%0.03231%0.311CS..PPolyproline II helixtrans-64.4137.4175.922.5-28.5000111I340 F364 L370 W381I340-P390 HydrophobicContact CD1-CG 3.72Å; I340-P390 WeakPolarHBondContact CD1-O 3.49Å; F364-P390 HydrophobicContact CE1-CG 4.03Å; L370-P390 HydrophobicContact CB-CB 4.19Å; L370-P390 HydrophobicContact CB-CG 3.74Å; L370-P390 HydrophobicContact CD2-CG 4.21Å; W381-P390 HydrophobicContact CB-CB 4.2Å
391S86.8Confident84.1Confident55 Ų5557.7 Ų57.739%0.38531%0.314SS..PPolyproline II helixtrans-76.5124.8175-178.70000109.6W381 A382 P389 E393W381-S391 WeakPolarHBondContact CB-O 3.32Å; W381-S391 VanDerWaalsContact CD1-O 3.28Å; A382-S391 PolarHBondContact O-N 2.88Å; P389-S391 PolarHBondContact O-N 3.43Å; S391-E393 VanDerWaalsContact C-N 3.34Å
392L87.4Confident83.7Confident6 Ų662 Ų623%0.03135%0.346CS..  trans-92.79.8-179.5-60.5-178.1000113.3L338 I340 R353 L370 W381L338-L392 HydrophobicContact CD2-CD1 4.15Å; L338-L392 HydrophobicContact CD2-CD2 3.71Å; L338-L392 HydrophobicContact CG-CD1 4.13Å; L338-L392 HydrophobicContact CG-CD2 4.49Å; I340-L392 HydrophobicContact CD1-CD1 3.75Å; I340-L392 HydrophobicContact CD1-CD2 3.98Å; I340-L392 HydrophobicContact CD1-CG 3.73Å; I340-L392 HydrophobicContact CG1-CD1 4.15Å; R353-L392 HydrophobicContact CB-CB 3.76Å; R353-L392 HydrophobicContact CB-CD1 3.84Å; R353-L392 HydrophobicContact CB-CG 4.43Å; R353-L392 WeakPolarHBondContact CD-O 3.37Å; R353-L392 HydrophobicContact CG-CB 4.29Å; L370-L392 HydrophobicContact CD2-CD2 4.2Å; W381-L392 HydrophobicContact CB-CD2 4.22Å; W381-L392 HydrophobicContact CD2-CD2 3.88Å; W381-L392 HydrophobicContact CE3-CD2 4.36Å; W381-L392 HydrophobicContact CG-CD2 3.8Å
393E86.1Confident83.7Confident146 Ų14661 Ų6168%0.68234%0.338SS*.SBendtrans-71.7-51.3-177.9-67.7-176.2170.500112S391S391-E393 VanDerWaalsContact C-N 3.34Å
394Q87.4Confident84.4Confident141 Ų14165.2 Ų65.266%0.65935%0.351SS*.SBendtrans-131.1135.2-179.9-65.3-177.9-700109.8
395P92.1Very high85.7Confident37 Ų3756.3 Ų56.324%0.2431%0.31CS..  trans-69.1139.6174.228.9-31.3000110.1A168 N379 I380A168-P395 HydrophobicContact CB-CG 3.92Å; N379-P395 HydrophobicContact CB-CB 4.49Å; I380-P395 CarbonylContact O-C 3.39Å; I380-P395 VanDerWaalsContact O-CA 3.28Å; I380-P395 WeakPolarHBondContact O-CA 3.48Å
396Y92.8Very high87.1Confident25 Ų2557.7 Ų57.710%0.09831%0.308CS..SBendtrans-66.8-43.4171.2175.3-116.6000112.1L159 T167 A168 L369 I380 A382 V430 P431L159-Y396 HydrophobicContact CB-CE2 3.97Å; L159-Y396 WeakPolarHBondContact CB-OH 3.49Å; L159-Y396 PolarHBondContact N-OH 2.87Å; L159-Y396 WeakPolarHBondContact O-CE2 3.34Å; T167-Y396 CarbonylContact C-O 3.35Å; T167-Y396 VanDerWaalsContact CB-O 3.3Å; T167-Y396 WeakPolarHBondContact CB-O 3.45Å; T167-Y396 PolarHBondContact OG1-O 3.26Å; A168-Y396 PolarHBondContact N-O 3.47Å; L369-Y396 HydrophobicContact CD1-CD1 4.48Å; L369-Y396 HydrophobicContact CD1-CE1 4.33Å; L369-Y396 HydrophobicContact CD2-CD1 4.5Å; I380-Y396 HydrophobicContact CB-CD1 4.46Å; I380-Y396 HydrophobicContact CG2-CD1 4.01Å; I380-Y396 WeakPolarHBondContact O-CB 3.4Å; I380-Y396 PolarHBondContact O-N 3.38Å; A382-Y396 HydrophobicContact CB-CD2 3.99Å; A382-Y396 HydrophobicContact CB-CG 3.96Å; Y396-V430 HydrophobicContact CE1-CG1 4.27Å; Y396-P431 WeakPolarHBondContact CE1-O 3.36Å; Y396-P431 PolarHBondContact OH-O 3.39Å
397L93.9Very high88.6Confident1 Ų154.9 Ų54.91%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-147139.8178-170.3143.3000109.1L159 I175 I380 H399 M428L159-L397 HydrophobicContact CD2-CD1 4.5Å; I175-L397 HydrophobicContact CD1-CD1 3.57Å; I380-L397 HydrophobicContact CB-CB 4.2Å; I380-L397 HydrophobicContact CD1-CB 4.2Å; I380-L397 HydrophobicContact CD1-CD2 4.09Å; I380-L397 HydrophobicContact CG1-CB 4.19Å; I380-L397 HydrophobicContact CG1-CD2 4.43Å; I380-L397 PolarHBondContact N-O 3.35Å; I380-L397 PolarHBondContact O-N 3.14Å; L397-H399 HydrophobicContact CD2-CB 4.06Å; L397-M428 HydrophobicContact CD2-CE 4.34Å
398T94.5Very high90.2Very high46 Ų4652 Ų5228%0.28227%0.272SS..EExtended strand (participates in β ladder)trans-125.5126.9173.7-600000109.1A168 V377 V378 N379A168-T398 PolarHBondContact O-N 3.4Å; V377-T398 HydrophobicContact CG1-CG2 3.72Å; V378-T398 WeakPolarHBondContact O-CA 3.38Å; N379-T398 WeakPolarHBondContact OD1-CG2 3.47Å
399H94.6Very high91.1Very high38 Ų3852.9 Ų52.918%0.17627%0.273CS..EExtended strand (participates in β ladder)trans-131.8141.5178.9-170.1-103.1000111.5Q172 V377 V378 L397 M428Q172-H399 WeakPolarHBondContact CG-CD2 3.24Å; Q172-H399 WeakPolarHBondContact CG-NE2 3.46Å; V377-H399 CarbonylContact C-O 3.58Å; V377-H399 WeakPolarHBondContact CA-O 3.48Å; V378-H399 PolarHBondContact N-O 2.78Å; V378-H399 PolarHBondContact O-N 3.42Å; L397-H399 HydrophobicContact CD2-CB 4.06Å; H399-M428 HydrophobicContact CB-CE 3.25Å; H399-M428 HydrophobicContact CB-SD 4.23Å; H399-M428 WeakPolarHBondContact ND1-CE 3.47Å; H399-M428 PolarHBondContact ND1-SD 3.08Å
400R94.3Very high91.8Very high181 Ų18151.1 Ų51.168%0.68326%0.26SS*.EExtended strand (participates in β ladder)trans-107126.9177-171174-170.9158.85.6110.1D376 V377D376-R400 IonicContact OD2-CZ 3.88Å; D376-R400 VanDerWaalsContact OD2-CZ 3.26Å; D376-R400 IonicContact OD2-NE 3.18Å; D376-R400 PolarHBondContact OD2-NE 3.07Å; D376-R400 IonicContact OD2-NH2 2.85Å; D376-R400 PolarHBondContact OD2-NH2 2.92Å; V377-R400 HydrophobicContact CG2-CG 4.32Å
401L92.3Very high92.3Very high13 Ų1351 Ų517%0.06826%0.259CS..  trans-100167.3-178.6-65.2167.7000111.5D376 V378 G403 V405 V419 T426 M428D376-L401 WeakPolarHBondContact O-CB 3.48Å; D376-L401 PolarHBondContact O-N 2.89Å; V378-L401 HydrophobicContact CG2-CD1 3.67Å; L401-G403 PolarHBondContact O-N 3.34Å; L401-V405 HydrophobicContact CD1-CG2 3.65Å; L401-V419 HydrophobicContact CD1-CB 4Å; L401-V419 HydrophobicContact CD1-CG1 3.36Å; L401-V419 HydrophobicContact CD1-CG2 4.31Å; L401-T426 HydrophobicContact CD2-CG2 3.98Å; L401-T426 WeakPolarHBondContact CD2-OG1 3.44Å; L401-M428 HydrophobicContact CD2-SD 3.86Å
402S86Confident92.6Very high97 Ų9749.2 Ų49.268%0.67825%0.246SC*.SBendtrans-73-10.918060.20000114.1H421S402-H421 PolarHBondContact OG-CE1 2.84Å
403G90.7Very high92.9Very high10 Ų1050.4 Ų50.410%0.10325%0.251CS..SBendtrans-163.1176.3-178.600000112.9L401L401-G403 PolarHBondContact O-N 3.34Å
404H93.7Very high93.3Very high113 Ų11344.7 Ų44.752%0.52322%0.224SC..  trans-66.6139.6-177.8-63.2-56.2000112.3G375 H406 H421 S422G375-H404 CarbonylContact O-C 3.59Å; G375-H404 VanDerWaalsContact O-CA 3.32Å; G375-H404 WeakPolarHBondContact O-CA 3.34Å; H404-H406 PolarHBondContact O-CD2 3.13Å; H404-H421 CarbonylContact O-C 3.51Å; H404-H421 WeakPolarHBondContact O-CA 3.5Å; H404-H421 VanDerWaalsContact O-CB 3.31Å; H404-H421 WeakPolarHBondContact O-CB 3.25Å; H404-S422 PolarHBondContact N-OG 2.71Å; H404-S422 PolarHBondContact O-N 3.03Å
405V95.4Very high93.6Very high11 Ų1140.1 Ų40.17%0.06721%0.205CC..EExtended strand (participates in β ladder)trans-80.3125.8-178.5178.40000111.3H361 G375 V378 L401 L408 V419H361-V405 PolarHBondContact CE1-O 3.27Å; H361-V405 PolarHBondContact ND1-O 2.9Å; G375-V405 WeakPolarHBondContact O-CG2 3.36Å; G375-V405 PolarHBondContact O-N 3.1Å; V378-V405 HydrophobicContact CG2-CG2 3.9Å; L401-V405 HydrophobicContact CD1-CG2 3.65Å; V405-L408 HydrophobicContact CG1-CD1 3.88Å; V405-L408 HydrophobicContact CG1-CD2 3.72Å; V405-L408 HydrophobicContact CG1-CG 3.57Å; V405-V419 HydrophobicContact CB-CG1 4.38Å; V405-V419 HydrophobicContact CG1-CG1 3.79Å; V405-V419 HydrophobicContact CG2-CG1 3.84Å
406H93.6Very high93.8Very high59 Ų5938.4 Ų38.427%0.27319%0.194SC..EExtended strand (participates in β ladder)trans-119.6-9.5-179.4-74.2-82000114.6P197 R199 H361 H404 G420P197-H406 HydrophobicContact CB-CB 3.86Å; P197-H406 WeakPolarHBondContact CB-CD2 3.22Å; P197-H406 WeakPolarHBondContact CB-NE2 3.42Å; R199-H406 WeakPolarHBondContact CG-O 3.29Å; R199-H406 PolarHBondContact NE-O 3.2Å; H361-H406 PolarHBondContact CD2-O 2.77Å; H361-H406 VanDerWaalsContact CE1-C 3.41Å; H361-H406 WeakPolarHBondContact CE1-CA 3.4Å; H361-H406 PolarHBondContact CE1-O 3.17Å; H361-H406 VanDerWaalsContact CE1-O 3.28Å; H361-H406 PolarHBondContact NE2-O 3.04Å; H404-H406 PolarHBondContact O-CD2 3.13Å; H406-G420 PolarHBondContact N-O 3.19Å
407G93.4Very high94.1Very high8 Ų837.2 Ų37.28%0.08219%0.189CC..EExtended strand (participates in β ladder)trans-159.4142.3172.700000111G420G407-G420 PolarHBondContact N-O 2.76Å; G407-G420 VanDerWaalsContact N-O 3.14Å; G407-G420 PolarHBondContact O-N 3.06Å
408L95.8Very high94.2Very high19 Ų1937.2 Ų37.210%0.09919%0.189CC..EExtended strand (participates in β ladder)trans-137128.5177.8-69.7167.5000108.4H361 A363 V371 G373 V378 V405 V419H361-L408 HydrophobicContact CB-CB 4.37Å; H361-L408 HydrophobicContact CB-CD1 3.77Å; H361-L408 HydrophobicContact CB-CG 4.1Å; H361-L408 WeakPolarHBondContact O-CD1 3.46Å; A363-L408 HydrophobicContact CB-CB 4.31Å; V371-L408 HydrophobicContact CG1-CB 3.97Å; V371-L408 HydrophobicContact CG1-CD1 3.42Å; V371-L408 VanDerWaalsContact CG1-CD1 3.42Å; V371-L408 HydrophobicContact CG1-CD2 3.93Å; V371-L408 HydrophobicContact CG1-CG 3.96Å; G373-L408 VanDerWaalsContact N-CD1 3.25Å; V378-L408 HydrophobicContact CG1-CD2 4.49Å; V378-L408 HydrophobicContact CG2-CD2 4.19Å; V405-L408 HydrophobicContact CG1-CD1 3.88Å; V405-L408 HydrophobicContact CG1-CD2 3.72Å; V405-L408 HydrophobicContact CG1-CG 3.57Å; L408-V419 HydrophobicContact CD2-CB 3.99Å; L408-V419 HydrophobicContact CD2-CG1 3.54Å; L408-V419 HydrophobicContact CD2-CG2 3.62Å
409Q95.8Very high94.3Very high51 Ų5135 Ų3524%0.23818%0.175CC..EExtended strand (participates in β ladder)trans-154133.4171.2-164.3-178.8-2.900110.2L200 Y202 G418L200-Q409 HydrophobicContact CD1-CB 3.68Å; L200-Q409 HydrophobicContact CG-CB 4.42Å; Y202-Q409 HydrophobicContact CD2-CB 4.2Å; Y202-Q409 HydrophobicContact CD2-CG 4.27Å; Q409-G418 PolarHBondContact N-O 3.49Å; Q409-G418 VanDerWaalsContact N-O 3.08Å; Q409-G418 PolarHBondContact O-N 2.7Å
410F96.4Very high94.4Very high12 Ų1233.2 Ų33.25%0.05317%0.167CC..EExtended strand (participates in β ladder)trans-71.4141169-71-79.6000110.3A363 F364 L369 V371 P412 L417 V430 A433A363-F410 HydrophobicContact CB-CD2 4.23Å; A363-F410 HydrophobicContact CB-CE2 4.45Å; F364-F410 VanDerWaalsContact C-CD2 3.46Å; F364-F410 WeakPolarHBondContact O-CD2 3.27Å; L369-F410 HydrophobicContact CB-CZ 4.19Å; V371-F410 HydrophobicContact CB-CE2 3.83Å; V371-F410 HydrophobicContact CB-CZ 3.88Å; V371-F410 HydrophobicContact CG2-CE1 4.15Å; V371-F410 HydrophobicContact CG2-CE2 3.83Å; V371-F410 HydrophobicContact CG2-CZ 3.33Å; F410-P412 WeakPolarHBondContact O-CD 3.44Å; F410-L417 HydrophobicContact CD1-CB 4.16Å; F410-L417 HydrophobicContact CD1-CD1 3.87Å; F410-L417 HydrophobicContact CD2-CD1 4.24Å; F410-L417 HydrophobicContact CE1-CB 4.18Å; F410-L417 HydrophobicContact CE1-CD1 3.93Å; F410-L417 HydrophobicContact CE2-CD1 4.3Å; F410-L417 HydrophobicContact CG-CD1 4.06Å; F410-L417 HydrophobicContact CZ-CD1 4.17Å; F410-V430 HydrophobicContact CE1-CB 4.37Å; F410-V430 HydrophobicContact CE1-CG1 4.25Å; F410-V430 HydrophobicContact CE1-CG2 4.48Å; F410-A433 HydrophobicContact CD1-CB 3.63Å; F410-A433 HydrophobicContact CE1-CB 3.65Å
411C95.4Very high94.4Very high2 Ų224.7 Ų24.71%0.01414%0.135CC..PPolyproline II helixtrans-69.1129.5167.8-1710000108.9Y202 G206 W223 E414 V416Y202-C411 HydrophobicContact CD1-CB 4.43Å; Y202-C411 HydrophobicContact CD2-CB 4.4Å; Y202-C411 HydrophobicContact CE1-CB 4.23Å; Y202-C411 HydrophobicContact CE2-CB 4.2Å; G206-C411 PolarHBondContact O-SG 2.8Å; W223-C411 HydrophobicContact CZ2-CB 4.27Å; W223-C411 WeakPolarHBondContact CZ2-SG 3.47Å; C411-E414 HydrophobicContact CB-CB 4.46Å; C411-E414 VanDerWaalsContact O-O 3.09Å; C411-V416 HydrophobicContact CB-CB 3.95Å; C411-V416 HydrophobicContact CB-CG1 4.45Å; C411-V416 PolarHBondContact N-O 3.22Å
412P93.7Very high94.5Very high18 Ų1826.2 Ų26.212%0.11715%0.147CC..THydrogen-bonded Turntrans-59.3139.7168.7-2535.5000111.2R204 F410 E414R204-P412 WeakPolarHBondContact O-CB 3.48Å; F410-P412 WeakPolarHBondContact O-CD 3.44Å; P412-E414 PolarHBondContact O-N 3.03Å
413F93.1Very high94.7Very high31 Ų3122.2 Ų22.214%0.13612%0.12CC..THydrogen-bonded Turntrans63.7-1.9174.7-44.7-68000117.2R204 A434 E435 F438 N443 P445R204-F413 WeakPolarHBondContact O-CE2 3.47Å; F413-A434 VanDerWaalsContact C-CB 3.49Å; F413-E435 WeakPolarHBondContact CA-O 3.21Å; F413-F438 HydrophobicContact CD1-CB 3.49Å; F413-F438 VanDerWaalsContact CD1-CB 3.49Å; F413-F438 HydrophobicContact CE1-CB 3.54Å; F413-F438 HydrophobicContact CG-CB 4.05Å; F413-F438 HydrophobicContact CZ-CB 4.16Å; F413-N443 HydrophobicContact CE2-CB 3.85Å; F413-N443 HydrophobicContact CZ-CB 3.66Å; F413-P445 HydrophobicContact CB-CG 4.2Å; F413-P445 HydrophobicContact CD2-CG 3.78Å; F413-P445 HydrophobicContact CG-CG 4.17Å
414E94.1Very high94.9Very high25 Ų2521.7 Ų21.712%0.11712%0.116CC..SBendtrans-130.6144.9176.4-58-157.116300111.9K186 W223 C411 P412 V416 A434K186-E414 WeakPolarHBondContact CD-OE2 3.3Å; K186-E414 WeakPolarHBondContact CE-OE2 3.36Å; K186-E414 IonicContact NZ-OE1 2.84Å; K186-E414 PolarHBondContact NZ-OE1 2.8Å; K186-E414 IonicContact NZ-OE2 3.26Å; K186-E414 PolarHBondContact NZ-OE2 2.83Å; W223-E414 WeakPolarHBondContact CH2-OE2 3.27Å; W223-E414 WeakPolarHBondContact CZ2-OE2 3.33Å; C411-E414 HydrophobicContact CB-CB 4.46Å; C411-E414 VanDerWaalsContact O-O 3.09Å; P412-E414 PolarHBondContact O-N 3.03Å; E414-V416 HydrophobicContact CB-CG2 4.31Å; E414-V416 PolarHBondContact O-N 3.41Å; E414-A434 WeakPolarHBondContact O-CB 3.33Å
415D95.2Very high95Very high46 Ų4616.3 Ų16.325%0.2469%0.091CC..SBendtrans-73.955.2-178.1-82-10000112.9V430 G432 A433 A434D415-V430 VanDerWaalsContact CB-O 3.3Å; D415-V430 WeakPolarHBondContact CB-O 3.32Å; D415-V430 PolarHBondContact O-N 3.01Å; D415-G432 PolarHBondContact OD1-N 3.45Å; D415-G432 PolarHBondContact OD2-N 2.81Å; D415-A433 PolarHBondContact OD1-N 3.44Å; D415-A434 PolarHBondContact OD1-N 3.4Å
416V96.1Very high95Very high1 Ų115.9 Ų15.91%0.0069%0.088CC..EExtended strand (participates in β ladder)trans-129.5134.1-173.6178.60000110.2K186 W223 C411 E414 S427 M428 L429K186-V416 HydrophobicContact CB-CG2 4.19Å; K186-V416 HydrophobicContact CD-CG2 4.32Å; W223-V416 HydrophobicContact CH2-CB 4.26Å; W223-V416 HydrophobicContact CH2-CG1 4.31Å; W223-V416 HydrophobicContact CH2-CG2 3.9Å; W223-V416 HydrophobicContact CZ3-CG1 4.27Å; W223-V416 HydrophobicContact CZ3-CG2 4.28Å; C411-V416 HydrophobicContact CB-CB 3.95Å; C411-V416 HydrophobicContact CB-CG1 4.45Å; C411-V416 PolarHBondContact N-O 3.22Å; E414-V416 HydrophobicContact CB-CG2 4.31Å; E414-V416 PolarHBondContact O-N 3.41Å; V416-S427 WeakPolarHBondContact CG1-OG 3.34Å; V416-M428 CarbonylContact C-O 3.58Å; V416-M428 VanDerWaalsContact CA-O 3.32Å; V416-M428 WeakPolarHBondContact CA-O 3.46Å; V416-L429 HydrophobicContact CG2-CD2 4.09Å
417L97.4Very high95.2Very high0 Ų013.1 Ų13.10%08%0.075CC..EExtended strand (participates in β ladder)trans-108.1117.2168.4177.968.1000109.3V371 V378 I380 F410 V419 M428 V430V371-L417 HydrophobicContact CB-CD1 4.49Å; V371-L417 HydrophobicContact CG1-CD1 4.2Å; V371-L417 HydrophobicContact CG1-CD2 4.22Å; V371-L417 HydrophobicContact CG2-CD1 4.08Å; V371-L417 HydrophobicContact CG2-CD2 3.62Å; V371-L417 HydrophobicContact CG2-CG 4.49Å; V378-L417 HydrophobicContact CG1-CD2 3.93Å; I380-L417 HydrophobicContact CD1-CD2 4.2Å; F410-L417 HydrophobicContact CD1-CB 4.16Å; F410-L417 HydrophobicContact CD1-CD1 3.87Å; F410-L417 HydrophobicContact CD2-CD1 4.24Å; F410-L417 HydrophobicContact CE1-CB 4.18Å; F410-L417 HydrophobicContact CE1-CD1 3.93Å; F410-L417 HydrophobicContact CE2-CD1 4.3Å; F410-L417 HydrophobicContact CG-CD1 4.06Å; F410-L417 HydrophobicContact CZ-CD1 4.17Å; L417-V419 HydrophobicContact CD2-CG2 3.89Å; L417-V419 HydrophobicContact CG-CG2 3.87Å; L417-M428 PolarHBondContact N-O 2.87Å; L417-M428 PolarHBondContact O-N 2.86Å; L417-V430 HydrophobicContact CB-CG2 3.63Å; L417-V430 HydrophobicContact CD2-CG2 4.37Å
418G96.9Very high95.3Very high0 Ų012.8 Ų12.80%07%0.071CC..EExtended strand (participates in β ladder)trans-82127.1167.800000110.3Q409Q409-G418 PolarHBondContact N-O 3.49Å; Q409-G418 VanDerWaalsContact N-O 3.08Å; Q409-G418 PolarHBondContact O-N 2.7Å
419V97.1Very high95.3Very high0 Ų012.3 Ų12.30%07%0.069CC..EExtended strand (participates in β ladder)trans-122120.1175.2-169.90000110.1V378 L401 V405 L408 L417 F425 T426 M428V378-V419 HydrophobicContact CG2-CG1 4.4Å; V378-V419 HydrophobicContact CG2-CG2 4.47Å; L401-V419 HydrophobicContact CD1-CB 4Å; L401-V419 HydrophobicContact CD1-CG1 3.36Å; L401-V419 HydrophobicContact CD1-CG2 4.31Å; V405-V419 HydrophobicContact CB-CG1 4.38Å; V405-V419 HydrophobicContact CG1-CG1 3.79Å; V405-V419 HydrophobicContact CG2-CG1 3.84Å; L408-V419 HydrophobicContact CD2-CB 3.99Å; L408-V419 HydrophobicContact CD2-CG1 3.54Å; L408-V419 HydrophobicContact CD2-CG2 3.62Å; L417-V419 HydrophobicContact CD2-CG2 3.89Å; L417-V419 HydrophobicContact CG-CG2 3.87Å; V419-F425 WeakPolarHBondContact O-CA 3.43Å; V419-F425 WeakPolarHBondContact O-CD2 3.35Å; V419-T426 WeakPolarHBondContact CB-OG1 3.15Å; V419-T426 PolarHBondContact N-O 3.39Å; V419-T426 PolarHBondContact O-N 3.05Å; V419-T426 PolarHBondContact O-OG1 3.01Å; V419-M428 HydrophobicContact CG2-SD 4.15Å
420G95.9Very high95.3Very high0 Ų09.9 Ų9.90%06%0.057CC..EExtended strand (participates in β ladder)trans-92.6124171.400000108.7Y198 H406 G407Y198-G420 CarbonylContact O-C 3.49Å; Y198-G420 VanDerWaalsContact O-CA 3.3Å; Y198-G420 WeakPolarHBondContact O-CA 3.48Å; H406-G420 PolarHBondContact N-O 3.19Å; G407-G420 PolarHBondContact N-O 2.76Å; G407-G420 VanDerWaalsContact N-O 3.14Å; G407-G420 PolarHBondContact O-N 3.06Å
421H95.4Very high95.2Very high2 Ų210.1 Ų10.11%0.0096%0.06CC..EExtended strand (participates in β ladder)trans-130.2175.3-178.658.697.3000111Y198 S402 H404 G423 G424 F425 T426Y198-H421 PolarHBondContact N-O 3.37Å; S402-H421 PolarHBondContact OG-CE1 2.84Å; H404-H421 CarbonylContact O-C 3.51Å; H404-H421 WeakPolarHBondContact O-CA 3.5Å; H404-H421 VanDerWaalsContact O-CB 3.31Å; H404-H421 WeakPolarHBondContact O-CB 3.25Å; H421-G423 PolarHBondContact ND1-N 3.22Å; H421-G423 PolarHBondContact O-N 2.78Å; H421-G424 PolarHBondContact CD2-O 2.91Å; H421-G424 PolarHBondContact CE1-N 3.25Å; H421-G424 PolarHBondContact N-O 3.44Å; H421-G424 PolarHBondContact O-N 2.99Å; H421-F425 PolarHBondContact NE2-N 3.31Å; H421-T426 WeakPolarHBondContact NE2-CG2 3.37Å
422S93.6Very high95Very high46 Ų4610.2 Ų10.232%0.3226%0.062SC..THydrogen-bonded Turntrans-59.6-28.7-179.956.50000113.9H404H404-S422 PolarHBondContact N-OG 2.71Å; H404-S422 PolarHBondContact O-N 3.03Å
423G90.8Very high94.9Very high12 Ų129.4 Ų9.412%0.1246%0.057CC..THydrogen-bonded Turntrans-87.7-6.7-179.500000115L192 H421L192-G423 CarbonylContact C-O 3.54Å; L192-G423 PolarHBondContact N-O 3.43Å; H421-G423 PolarHBondContact ND1-N 3.22Å; H421-G423 PolarHBondContact O-N 2.78Å
424G94Very high94.8Very high0 Ų08.1 Ų8.10%05%0.052CC..EExtended strand (participates in β ladder)trans136.2-131.6-175.900000112.4L190 H421L190-G424 WeakPolarHBondContact O-CA 3.34Å; H421-G424 PolarHBondContact CD2-O 2.91Å; H421-G424 PolarHBondContact CE1-N 3.25Å; H421-G424 PolarHBondContact N-O 3.44Å; H421-G424 PolarHBondContact O-N 2.99Å
425F95.6Very high94.6Very high0 Ų09.9 Ų9.90%06%0.06CC..EExtended strand (participates in β ladder)trans-133.8136.4-175.1168.8-96.7000110.7F188 D189 L190 L200 L209 L211 V419 H421F188-F425 HydrophobicContact CE2-CD1 4.28Å; F188-F425 HydrophobicContact CE2-CE1 4.02Å; F188-F425 HydrophobicContact CZ-CE1 4.13Å; D189-F425 CarbonylContact C-O 3.52Å; D189-F425 WeakPolarHBondContact CA-O 3.43Å; L190-F425 HydrophobicContact CB-CB 4.3Å; L190-F425 HydrophobicContact CD1-CB 4.48Å; L190-F425 HydrophobicContact CD1-CD1 3.92Å; L190-F425 HydrophobicContact CG-CD1 4.18Å; L190-F425 PolarHBondContact N-O 3.26Å; L190-F425 PolarHBondContact O-N 3.4Å; L200-F425 HydrophobicContact CB-CD2 4.44Å; L200-F425 HydrophobicContact CB-CE2 4.36Å; L200-F425 HydrophobicContact CD1-CE2 4.14Å; L200-F425 HydrophobicContact CD2-CD2 4.21Å; L200-F425 HydrophobicContact CD2-CE2 4.15Å; L200-F425 HydrophobicContact CG-CE2 4.45Å; L209-F425 HydrophobicContact CD1-CE2 4.45Å; L209-F425 HydrophobicContact CD2-CD1 4.3Å; L209-F425 HydrophobicContact CD2-CE1 3.66Å; L209-F425 HydrophobicContact CD2-CE2 3.98Å; L209-F425 HydrophobicContact CD2-CZ 3.48Å; L209-F425 VanDerWaalsContact CD2-CZ 3.48Å; L211-F425 HydrophobicContact CD1-CB 4.24Å; L211-F425 HydrophobicContact CD1-CG 4.36Å; L211-F425 HydrophobicContact CD2-CB 4.09Å; L211-F425 HydrophobicContact CD2-CD2 3.69Å; L211-F425 HydrophobicContact CD2-CE2 4.29Å; L211-F425 HydrophobicContact CD2-CG 3.89Å; V419-F425 WeakPolarHBondContact O-CA 3.43Å; V419-F425 WeakPolarHBondContact O-CD2 3.35Å; H421-F425 PolarHBondContact NE2-N 3.31Å
426T96.1Very high94.4Very high2 Ų28.7 Ų8.71%0.0126%0.055CC..EExtended strand (participates in β ladder)trans-121.9127.717359.10000109.5D189 L401 V419 H421D189-T426 HydrophobicContact CB-CG2 4.28Å; D189-T426 VanDerWaalsContact CG-CG2 3.45Å; D189-T426 WeakPolarHBondContact OD1-CA 3.43Å; D189-T426 WeakPolarHBondContact OD1-CB 2.99Å; D189-T426 WeakPolarHBondContact OD1-CG2 3.48Å; L401-T426 HydrophobicContact CD2-CG2 3.98Å; L401-T426 WeakPolarHBondContact CD2-OG1 3.44Å; V419-T426 WeakPolarHBondContact CB-OG1 3.15Å; V419-T426 PolarHBondContact N-O 3.39Å; V419-T426 PolarHBondContact O-N 3.05Å; V419-T426 PolarHBondContact O-OG1 3.01Å; H421-T426 WeakPolarHBondContact NE2-CG2 3.37Å
427S96.7Very high94.3Very high0 Ų010.6 Ų10.60%07%0.065CC..EExtended strand (participates in β ladder)trans-96.2113.6169.7-179.60000108.6K186 H187 F188 V416K186-S427 VanDerWaalsContact O-CB 3.31Å; K186-S427 WeakPolarHBondContact O-CB 3.44Å; K186-S427 PolarHBondContact O-OG 3.49Å; H187-S427 WeakPolarHBondContact CA-O 3.47Å; H187-S427 PolarHBondContact ND1-O 3.41Å; F188-S427 PolarHBondContact N-O 3.39Å; F188-S427 PolarHBondContact O-N 3.26Å; V416-S427 WeakPolarHBondContact CG1-OG 3.34Å
428M95.8Very high94Very high1 Ų113.8 Ų13.81%0.0058%0.079CC..EExtended strand (participates in β ladder)trans-111.2149.5-177.3-68.4173.749.400112Q172 L397 H399 L401 V416 L417 V419Q172-M428 HydrophobicContact CG-CE 3.88Å; Q172-M428 HydrophobicContact CG-CG 4.48Å; L397-M428 HydrophobicContact CD2-CE 4.34Å; H399-M428 HydrophobicContact CB-CE 3.25Å; H399-M428 HydrophobicContact CB-SD 4.23Å; H399-M428 WeakPolarHBondContact ND1-CE 3.47Å; H399-M428 PolarHBondContact ND1-SD 3.08Å; L401-M428 HydrophobicContact CD2-SD 3.86Å; V416-M428 CarbonylContact C-O 3.58Å; V416-M428 VanDerWaalsContact CA-O 3.32Å; V416-M428 WeakPolarHBondContact CA-O 3.46Å; L417-M428 PolarHBondContact N-O 2.87Å; L417-M428 PolarHBondContact O-N 2.86Å; V419-M428 HydrophobicContact CG2-SD 4.15Å
429L96.7Very high93.7Very high9 Ų918.1 Ų18.15%0.04710%0.102CC..EExtended strand (participates in β ladder)trans-85.4130.4175.3-61178.8000110.6Q172 I175 V176 K186 H187 V416Q172-L429 PolarHBondContact NE2-O 2.87Å; Q172-L429 PolarHBondContact OE1-O 3.3Å; I175-L429 HydrophobicContact CG2-CB 3.95Å; I175-L429 HydrophobicContact CG2-CD1 4.15Å; V176-L429 HydrophobicContact CG2-CD1 3.96Å; K186-L429 HydrophobicContact CB-CD2 4.38Å; H187-L429 HydrophobicContact CB-CD1 4.33Å; H187-L429 HydrophobicContact CB-CG 4.13Å; V416-L429 HydrophobicContact CG2-CD2 4.09Å
430V96Very high93.3Very high0 Ų019.9 Ų19.90%012%0.12CC..  trans-133.492.4175.4-175.40000107.7L369 I380 Y396 F410 D415 L417 G432 A433L369-V430 HydrophobicContact CD1-CG1 3.75Å; I380-V430 HydrophobicContact CD1-CB 4.15Å; I380-V430 HydrophobicContact CD1-CG1 3.58Å; I380-V430 HydrophobicContact CD1-CG2 3.38Å; I380-V430 HydrophobicContact CG2-CG1 4.25Å; Y396-V430 HydrophobicContact CE1-CG1 4.27Å; F410-V430 HydrophobicContact CE1-CB 4.37Å; F410-V430 HydrophobicContact CE1-CG1 4.25Å; F410-V430 HydrophobicContact CE1-CG2 4.48Å; D415-V430 VanDerWaalsContact CB-O 3.3Å; D415-V430 WeakPolarHBondContact CB-O 3.32Å; D415-V430 PolarHBondContact O-N 3.01Å; L417-V430 HydrophobicContact CB-CG2 3.63Å; L417-V430 HydrophobicContact CD2-CG2 4.37Å; V430-G432 PolarHBondContact O-N 3.47Å; V430-A433 HydrophobicContact CB-CB 4.07Å; V430-A433 HydrophobicContact CG1-CB 4.03Å; V430-A433 VanDerWaalsContact O-CB 3.26Å; V430-A433 WeakPolarHBondContact O-CB 3.44Å; V430-A433 PolarHBondContact O-N 3.12Å
431P94.2Very high93Very high17 Ų1726.2 Ų26.211%0.1115%0.153CC..THydrogen-bonded Turntrans-54.1135.8178.4-26.535.4000111.5L159 I175 Y396 A433L159-P431 HydrophobicContact CB-CB 4.26Å; L159-P431 HydrophobicContact CB-CG 4.41Å; I175-P431 HydrophobicContact CG2-CG 4.32Å; Y396-P431 WeakPolarHBondContact CE1-O 3.36Å; Y396-P431 PolarHBondContact OH-O 3.39Å; P431-A433 VanDerWaalsContact C-N 3.32Å; P431-A433 PolarHBondContact O-N 2.93Å
432G90.7Very high92.6Very high5 Ų531.9 Ų31.95%0.05218%0.18CC..THydrogen-bonded Turntrans75.413.5178.300000116.1G157 R367 D415 V430G157-G432 WeakPolarHBondContact O-CA 3.31Å; G157-G432 PolarHBondContact O-N 3.33Å; R367-G432 PolarHBondContact NH1-O 2.91Å; R367-G432 VanDerWaalsContact NH1-O 3.16Å; D415-G432 PolarHBondContact OD1-N 3.45Å; D415-G432 PolarHBondContact OD2-N 2.81Å; V430-G432 PolarHBondContact O-N 3.47Å
433A92.6Very high92.4Very high1 Ų131 Ų311%0.00817%0.171CC..  trans-74-42.5176.900000113.1S365 Q366 R367 L369 F410 D415 V430 P431S365-A433 WeakPolarHBondContact CB-O 3.36Å; S365-A433 PolarHBondContact OG-O 3.12Å; Q366-A433 PolarHBondContact N-O 3.33Å; R367-A433 PolarHBondContact N-O 2.85Å; L369-A433 VanDerWaalsContact CD1-CA 3.45Å; L369-A433 HydrophobicContact CD1-CB 3.81Å; F410-A433 HydrophobicContact CD1-CB 3.63Å; F410-A433 HydrophobicContact CE1-CB 3.65Å; D415-A433 PolarHBondContact OD1-N 3.44Å; V430-A433 HydrophobicContact CB-CB 4.07Å; V430-A433 HydrophobicContact CG1-CB 4.03Å; V430-A433 VanDerWaalsContact O-CB 3.26Å; V430-A433 WeakPolarHBondContact O-CB 3.44Å; V430-A433 PolarHBondContact O-N 3.12Å; P431-A433 VanDerWaalsContact C-N 3.32Å; P431-A433 PolarHBondContact O-N 2.93Å
434A91.1Very high92.4Very high3 Ų331.4 Ų31.43%0.02517%0.171CC..SBendtrans-105.5163.3-17000000113.6R367 F413 E414 D415 P436R367-A434 WeakPolarHBondContact CD-O 3.42Å; R367-A434 WeakPolarHBondContact CG-O 3.49Å; F413-A434 VanDerWaalsContact C-CB 3.49Å; E414-A434 WeakPolarHBondContact O-CB 3.33Å; D415-A434 PolarHBondContact OD1-N 3.4Å; A434-P436 WeakPolarHBondContact O-CD 3.32Å
435E89.6Confident92.3Very high63 Ų6332.2 Ų32.229%0.29418%0.176SC..  trans-85.1114.8172.3-177160.6-140.400108.8Q366 K386 F413Q366-E435 HydrophobicContact CB-CB 4.11Å; Q366-E435 VanDerWaalsContact OE1-N 3.12Å; K386-E435 IonicContact NZ-OE1 2.71Å; K386-E435 PolarHBondContact NZ-OE1 3.44Å; K386-E435 IonicContact NZ-OE2 2.86Å; K386-E435 PolarHBondContact NZ-OE2 2.58Å; F413-E435 WeakPolarHBondContact CA-O 3.21Å
436P90.7Very high92Very high21 Ų2139.2 Ų39.214%0.13620%0.203CC..SBendtrans-71.1-39.5-174.329.8-37.1000111.4E154 P156 A434 F438E154-P436 HydrophobicContact CB-CB 3.77Å; E154-P436 HydrophobicContact CB-CG 4.32Å; P156-P436 HydrophobicContact CB-CG 4.12Å; A434-P436 WeakPolarHBondContact O-CD 3.32Å; P436-F438 PolarHBondContact O-N 3.09Å
437N92.6Very high91.8Very high41 Ų4141.4 Ų41.422%0.21921%0.212CC..SBendtrans-84.4100.1-179.4-58.7-66.4000110.8L152 A153 E154L152-N437 HydrophobicContact CD2-CB 3.66Å; A153-N437 PolarHBondContact N-OD1 3.31Å; E154-N437 PolarHBondContact N-OD1 3.32Å; E154-N437 PolarHBondContact O-ND2 2.96Å
438F91.6Very high91.6Very high66 Ų6644 Ų4429%0.28923%0.23SC..  trans-88.1149174.264.6-88.6000112F413 P436 G440 N444 P445 Y446F413-F438 HydrophobicContact CD1-CB 3.49Å; F413-F438 VanDerWaalsContact CD1-CB 3.49Å; F413-F438 HydrophobicContact CE1-CB 3.54Å; F413-F438 HydrophobicContact CG-CB 4.05Å; F413-F438 HydrophobicContact CZ-CB 4.16Å; P436-F438 PolarHBondContact O-N 3.09Å; F438-G440 PolarHBondContact O-N 3.23Å; F438-N444 HydrophobicContact CD2-CB 4.37Å; F438-N444 HydrophobicContact CE2-CB 4.16Å; F438-N444 WeakPolarHBondContact CE2-OD1 3.49Å; F438-P445 HydrophobicContact CD1-CG 4.38Å; F438-P445 HydrophobicContact CG-CG 4.42Å; F438-Y446 HydrophobicContact CE1-CD2 4.23Å; F438-Y446 HydrophobicContact CE1-CE2 4.1Å; F438-Y446 AromaticContact CZ-CD2 3.93Å; F438-Y446 HydrophobicContact CZ-CD2 3.93Å; F438-Y446 HydrophobicContact CZ-CE2 4.27Å
439D90.9Very high91.4Very high91 Ų9153.8 Ų53.849%0.48727%0.267SS..  trans-80113.9167.9-174.4-13.2000109.9L441 E442 N443D439-L441 PolarHBondContact O-N 2.82Å; D439-L441 WeakPolarHBondContact OD1-CB 3.48Å; D439-L441 PolarHBondContact OD1-N 3.1Å; D439-E442 HydrophobicContact CB-CB 4.14Å; D439-E442 PolarHBondContact O-N 2.95Å; D439-N443 CarbonylContact O-C 3.57Å; D439-N443 PolarHBondContact O-N 2.84Å; D439-N443 VanDerWaalsContact O-N 3.1Å
440G88.9Confident91.3Very high37 Ų3760.7 Ų60.738%0.38130%0.296SS..THydrogen-bonded Turntrans-58.7-25.5179.200000114.5F438 N444F438-G440 PolarHBondContact O-N 3.23Å; G440-N444 WeakPolarHBondContact O-CB 3.32Å
441L89.1Confident91.2Very high133 Ų13365 Ų6570%0.69632%0.317SS*.THydrogen-bonded Turntrans-84.3-31.2178.8-63.6177.1000112.5D439D439-L441 PolarHBondContact O-N 2.82Å; D439-L441 WeakPolarHBondContact OD1-CB 3.48Å; D439-L441 PolarHBondContact OD1-N 3.1Å
442E88Confident91.1Very high122 Ų12269.9 Ų69.957%0.5733%0.333SS*.THydrogen-bonded Turntrans-90.1-62.6-176.3-168-170.717100112.5D439 R447 W455D439-E442 HydrophobicContact CB-CB 4.14Å; D439-E442 PolarHBondContact O-N 2.95Å; E442-R447 PolarHBondContact O-NH2 3.23Å; E442-W455 PolarHBondContact O-NE1 3.42Å
443N89.1Confident91.3Very high26 Ų2674.2 Ų74.214%0.13935%0.352CS..  trans-14095.6-175.7-75-45.4000108.9F413 D439F413-N443 HydrophobicContact CE2-CB 3.85Å; F413-N443 HydrophobicContact CZ-CB 3.66Å; D439-N443 CarbonylContact O-C 3.57Å; D439-N443 PolarHBondContact O-N 2.84Å; D439-N443 VanDerWaalsContact O-N 3.1Å
444N91.4Very high91.4Very high22 Ų2280.3 Ų80.312%0.11838%0.38CS..  trans-104.1118.5-179.4178.3-5.6000110.2F438 G440 Y446 R447F438-N444 HydrophobicContact CD2-CB 4.37Å; F438-N444 HydrophobicContact CE2-CB 4.16Å; F438-N444 WeakPolarHBondContact CE2-OD1 3.49Å; G440-N444 WeakPolarHBondContact O-CB 3.32Å; N444-Y446 PolarHBondContact O-N 3.19Å; N444-Y446 WeakPolarHBondContact OD1-CA 3.42Å; N444-Y446 PolarHBondContact OD1-N 2.96Å; N444-R447 HydrophobicContact CB-CG 3.73Å; N444-R447 WeakPolarHBondContact O-CG 3.31Å
445P91.2Very high91.4Very high17 Ų1784 Ų8411%0.1139%0.393CS..THydrogen-bonded Turntrans-62.6-26.7175.9-23.233.9000114.1T205 F413 F438T205-P445 WeakPolarHBondContact O-CG 3.39Å; F413-P445 HydrophobicContact CB-CG 4.2Å; F413-P445 HydrophobicContact CD2-CG 3.78Å; F413-P445 HydrophobicContact CG-CG 4.17Å; F438-P445 HydrophobicContact CD1-CG 4.38Å; F438-P445 HydrophobicContact CG-CG 4.42Å
446Y90.1Very high91.5Very high146 Ų14684.7 Ų84.757%0.57340%0.396SS*.THydrogen-bonded Turntrans-106.628.9-171.1-54-72.7000113.5F438 N444 S448F438-Y446 HydrophobicContact CE1-CD2 4.23Å; F438-Y446 HydrophobicContact CE1-CE2 4.1Å; F438-Y446 AromaticContact CZ-CD2 3.93Å; F438-Y446 HydrophobicContact CZ-CD2 3.93Å; F438-Y446 HydrophobicContact CZ-CE2 4.27Å; N444-Y446 PolarHBondContact O-N 3.19Å; N444-Y446 WeakPolarHBondContact OD1-CA 3.42Å; N444-Y446 PolarHBondContact OD1-N 2.96Å; Y446-S448 PolarHBondContact O-N 3.41Å
447R90.4Very high91.7Very high49 Ų4987.7 Ų87.719%0.18541%0.414CS..  trans-59.3131.1-178.9-77.6174178.4168.54.6112.5E442 N444 Q451 R452 W455E442-R447 PolarHBondContact O-NH2 3.23Å; N444-R447 HydrophobicContact CB-CG 3.73Å; N444-R447 WeakPolarHBondContact O-CG 3.31Å; R447-Q451 HydrophobicContact CG-CB 4.48Å; R447-R452 HydrophobicContact CB-CB 4.48Å; R447-W455 VanDerWaalsContact NH1-CE2 3.25Å; R447-W455 VanDerWaalsContact NH1-CE3 3.28Å; R447-W455 VanDerWaalsContact NH2-NE1 3.12Å
448S92.9Very high91.8Very high55 Ų5590.2 Ų90.239%0.38542%0.423SS..  trans-67.9162.5162.470.60000111.2Y446 K450 Q451 R452Y446-S448 PolarHBondContact O-N 3.41Å; S448-K450 PolarHBondContact O-N 3.06Å; S448-Q451 PolarHBondContact O-N 3.1Å; S448-Q451 WeakPolarHBondContact OG-CG 3.49Å; S448-Q451 PolarHBondContact OG-N 2.86Å; S448-Q451 PolarHBondContact OG-OE1 2.95Å; S448-R452 WeakPolarHBondContact O-CB 3.5Å; S448-R452 PolarHBondContact O-N 2.76Å
449R91.8Very high91.8Very high205 Ų20588.9 Ų88.977%0.77443%0.425SS*.Hα-helixtrans-56.5-38.3176-172.4177178.5-178.50.7112.7Q453R449-Q453 WeakPolarHBondContact O-CG 3.29Å; R449-Q453 PolarHBondContact O-N 3.35Å; R449-Q453 VanDerWaalsContact O-N 3.13Å
450K94.9Very high91.8Very high155 Ų15589.7 Ų89.767%0.67443%0.428SS*.Hα-helixtrans-67.8-50.1178.3-68.2-174.4178.6-176.80111.7S448 R452 Q453 E454S448-K450 PolarHBondContact O-N 3.06Å; K450-R452 PolarHBondContact O-N 2.83Å; K450-Q453 WeakPolarHBondContact O-CB 3.37Å; K450-Q453 PolarHBondContact O-N 2.82Å; K450-Q453 VanDerWaalsContact O-N 3.1Å; K450-E454 WeakPolarHBondContact O-CG 3.15Å; K450-E454 PolarHBondContact O-N 3.17Å
451Q93.7Very high92.1Very high91 Ų9194.7 Ų94.743%0.42545%0.446SS..Hα-helixtrans-60-36.4177.1-72.9166.9-25.600112R447 S448 W455R447-Q451 HydrophobicContact CG-CB 4.48Å; S448-Q451 PolarHBondContact O-N 3.1Å; S448-Q451 WeakPolarHBondContact OG-CG 3.49Å; S448-Q451 PolarHBondContact OG-N 2.86Å; S448-Q451 PolarHBondContact OG-OE1 2.95Å; Q451-W455 WeakPolarHBondContact O-CB 3.3Å; Q451-W455 PolarHBondContact O-N 2.99Å
452R92.3Very high92.3Very high119 Ų11994.4 Ų94.445%0.44944%0.441SS..Hα-helixtrans-62.4-47.6174.1179177.4172.21680.4111.6R447 S448 K450 W455 E456R447-R452 HydrophobicContact CB-CB 4.48Å; S448-R452 WeakPolarHBondContact O-CB 3.5Å; S448-R452 PolarHBondContact O-N 2.76Å; K450-R452 PolarHBondContact O-N 2.83Å; R452-W455 PolarHBondContact O-N 2.93Å; R452-E456 HydrophobicContact CG-CG 4.45Å; R452-E456 WeakPolarHBondContact CG-OE1 3.42Å; R452-E456 IonicContact CZ-OE1 3.56Å; R452-E456 IonicContact NE-OE1 2.71Å; R452-E456 PolarHBondContact NE-OE1 3.35Å; R452-E456 IonicContact NH2-OE1 3.4Å; R452-E456 WeakPolarHBondContact O-CB 3.34Å; R452-E456 VanDerWaalsContact O-CG 3.27Å; R452-E456 WeakPolarHBondContact O-CG 3.35Å; R452-E456 PolarHBondContact O-N 3.46Å
453Q94.3Very high92.5Very high96 Ų9692.6 Ų92.645%0.44943%0.431SS..Hα-helixtrans-61.9-46.9177.7-72.2171.7-2200111.9R449 K450 W455 E456 V457R449-Q453 WeakPolarHBondContact O-CG 3.29Å; R449-Q453 PolarHBondContact O-N 3.35Å; R449-Q453 VanDerWaalsContact O-N 3.13Å; K450-Q453 WeakPolarHBondContact O-CB 3.37Å; K450-Q453 PolarHBondContact O-N 2.82Å; K450-Q453 VanDerWaalsContact O-N 3.1Å; Q453-W455 VanDerWaalsContact C-N 3.32Å; Q453-W455 PolarHBondContact O-N 2.7Å; Q453-E456 PolarHBondContact O-N 2.95Å; Q453-V457 WeakPolarHBondContact O-CG2 3.16Å; Q453-V457 PolarHBondContact O-N 2.87Å
454E94.1Very high92.6Very high129 Ų12996.2 Ų96.260%0.60345%0.454SS*.Hα-helixtrans-61.1-42.4177.5-71.3169.3-173.500111.7K450 V457 K458K450-E454 WeakPolarHBondContact O-CG 3.15Å; K450-E454 PolarHBondContact O-N 3.17Å; E454-V457 PolarHBondContact O-N 3.15Å; E454-K458 WeakPolarHBondContact O-CB 2.99Å; E454-K458 PolarHBondContact O-N 2.74Å
455W93Very high92.5Very high79 Ų7998.5 Ų98.530%0.29947%0.47SS..Hα-helixtrans-67.9-39.7177.1-176.890.9000112.4E442 R447 Q451 R452 Q453 V457 K458 A459E442-W455 PolarHBondContact O-NE1 3.42Å; R447-W455 VanDerWaalsContact NH1-CE2 3.25Å; R447-W455 VanDerWaalsContact NH1-CE3 3.28Å; R447-W455 VanDerWaalsContact NH2-NE1 3.12Å; Q451-W455 WeakPolarHBondContact O-CB 3.3Å; Q451-W455 PolarHBondContact O-N 2.99Å; R452-W455 PolarHBondContact O-N 2.93Å; Q453-W455 VanDerWaalsContact C-N 3.32Å; Q453-W455 PolarHBondContact O-N 2.7Å; W455-V457 VanDerWaalsContact C-N 3.32Å; W455-V457 PolarHBondContact O-N 2.88Å; W455-K458 PolarHBondContact O-N 3.21Å; W455-A459 HydrophobicContact CD2-CB 4.43Å; W455-A459 HydrophobicContact CE3-CB 4.36Å; W455-A459 HydrophobicContact CH2-CB 4.41Å; W455-A459 HydrophobicContact CZ2-CB 4.47Å; W455-A459 HydrophobicContact CZ3-CB 4.34Å; W455-A459 VanDerWaalsContact O-CB 3.24Å; W455-A459 WeakPolarHBondContact O-CB 3.36Å; W455-A459 PolarHBondContact O-N 3.02Å
456E91.6Very high92.5Very high78 Ų7899.2 Ų99.236%0.36448%0.477SS..Hα-helixtrans-59.9-44.4174.6-77.1169-175.800110.6R452 Q453 A459 L460R452-E456 HydrophobicContact CG-CG 4.45Å; R452-E456 WeakPolarHBondContact CG-OE1 3.42Å; R452-E456 IonicContact CZ-OE1 3.56Å; R452-E456 IonicContact NE-OE1 2.71Å; R452-E456 PolarHBondContact NE-OE1 3.35Å; R452-E456 IonicContact NH2-OE1 3.4Å; R452-E456 WeakPolarHBondContact O-CB 3.34Å; R452-E456 VanDerWaalsContact O-CG 3.27Å; R452-E456 WeakPolarHBondContact O-CG 3.35Å; R452-E456 PolarHBondContact O-N 3.46Å; Q453-E456 PolarHBondContact O-N 2.95Å; E456-A459 PolarHBondContact O-N 3.41Å; E456-L460 VanDerWaalsContact O-CG 3.28Å; E456-L460 WeakPolarHBondContact O-CG 3.49Å; E456-L460 PolarHBondContact O-N 3.49Å; E456-L460 VanDerWaalsContact O-N 3.09Å
457V94.9Very high92.5Very high85 Ų85100.2 Ų100.252%0.51549%0.487SS..Hα-helixtrans-62.5-47.5174.21740000111Q453 E454 W455 A459 L460 L461Q453-V457 WeakPolarHBondContact O-CG2 3.16Å; Q453-V457 PolarHBondContact O-N 2.87Å; E454-V457 PolarHBondContact O-N 3.15Å; W455-V457 VanDerWaalsContact C-N 3.32Å; W455-V457 PolarHBondContact O-N 2.88Å; V457-A459 PolarHBondContact O-N 3.34Å; V457-L460 PolarHBondContact O-N 2.72Å; V457-L461 HydrophobicContact CG1-CD1 4.01Å; V457-L461 HydrophobicContact CG1-CG 4.45Å; V457-L461 WeakPolarHBondContact O-CG 3.12Å; V457-L461 PolarHBondContact O-N 2.76Å
458K93.6Very high92.5Very high93 Ų93101.8 Ų101.840%0.40450%0.499SS..Hα-helixtrans-59.6-46178.5-174.9-178.8175.6-173.60111.8E454 W455 L460 L461 E462E454-K458 WeakPolarHBondContact O-CB 2.99Å; E454-K458 PolarHBondContact O-N 2.74Å; W455-K458 PolarHBondContact O-N 3.21Å; K458-L460 VanDerWaalsContact C-N 3.26Å; K458-L460 PolarHBondContact O-N 3.32Å; K458-L461 PolarHBondContact O-N 2.86Å; K458-L461 VanDerWaalsContact O-N 3.16Å; K458-E462 WeakPolarHBondContact CE-OE1 3.37Å; K458-E462 WeakPolarHBondContact CE-OE2 3.31Å; K458-E462 HydrophobicContact CG-CG 4.38Å; K458-E462 IonicContact NZ-OE1 3.73Å; K458-E462 WeakPolarHBondContact O-CB 3.25Å; K458-E462 PolarHBondContact O-N 2.75Å
459A91.4Very high92.4Very high39 Ų39100.7 Ų100.732%0.32249%0.488SS..Hα-helixtrans-63.8-31.4179.600000112.5W455 E456 V457 K463W455-A459 HydrophobicContact CD2-CB 4.43Å; W455-A459 HydrophobicContact CE3-CB 4.36Å; W455-A459 HydrophobicContact CH2-CB 4.41Å; W455-A459 HydrophobicContact CZ2-CB 4.47Å; W455-A459 HydrophobicContact CZ3-CB 4.34Å; W455-A459 VanDerWaalsContact O-CB 3.24Å; W455-A459 WeakPolarHBondContact O-CB 3.36Å; W455-A459 PolarHBondContact O-N 3.02Å; E456-A459 PolarHBondContact O-N 3.41Å; V457-A459 PolarHBondContact O-N 3.34Å; A459-K463 PolarHBondContact O-N 2.66Å
460L91.9Very high92.3Very high107 Ų10792.4 Ų92.456%0.5646%0.461SS*.Hα-helixtrans-73.9-38.3173.5-70.6172.7000112.4E456 V457 K458 K463E456-L460 VanDerWaalsContact O-CG 3.28Å; E456-L460 WeakPolarHBondContact O-CG 3.49Å; E456-L460 PolarHBondContact O-N 3.49Å; E456-L460 VanDerWaalsContact O-N 3.09Å; V457-L460 PolarHBondContact O-N 2.72Å; K458-L460 VanDerWaalsContact C-N 3.26Å; K458-L460 PolarHBondContact O-N 3.32Å; L460-K463 VanDerWaalsContact O-CB 3.28Å; L460-K463 WeakPolarHBondContact O-CB 3.28Å
461L94.3Very high92.1Very high143 Ų14387.4 Ų87.475%0.74944%0.442SS*.Hα-helixtrans-70.9-38.7177.4-69174.2000112.5V457 K458 K463V457-L461 HydrophobicContact CG1-CD1 4.01Å; V457-L461 HydrophobicContact CG1-CG 4.45Å; V457-L461 WeakPolarHBondContact O-CG 3.12Å; V457-L461 PolarHBondContact O-N 2.76Å; K458-L461 PolarHBondContact O-N 2.86Å; K458-L461 VanDerWaalsContact O-N 3.16Å; L461-K463 VanDerWaalsContact C-N 3.26Å; L461-K463 PolarHBondContact O-N 3.48Å
462E93.4Very high91.8Very high127 Ų12787.3 Ų87.359%0.59344%0.444SS*.THydrogen-bonded Turntrans-90.314.3178.6-65.5179176.500112.7K458 V464K458-E462 WeakPolarHBondContact CE-OE1 3.37Å; K458-E462 WeakPolarHBondContact CE-OE2 3.31Å; K458-E462 HydrophobicContact CG-CG 4.38Å; K458-E462 IonicContact NZ-OE1 3.73Å; K458-E462 WeakPolarHBondContact O-CB 3.25Å; K458-E462 PolarHBondContact O-N 2.75Å; E462-V464 PolarHBondContact O-N 2.75Å
463K92.1Very high91.6Very high84 Ų8483.6 Ų83.637%0.36544%0.436SS..PPolyproline II helixtrans-61.8121.8-177.6-179.2-177.2165.3-160.50110.8D258 S260 A459 L460 L461D258-K463 IonicContact OD1-NZ 2.63Å; D258-K463 PolarHBondContact OD1-NZ 3.46Å; D258-K463 IonicContact OD2-NZ 3.6Å; D258-K463 PolarHBondContact OD2-NZ 2.92Å; S260-K463 PolarHBondContact OG-NZ 2.94Å; A459-K463 PolarHBondContact O-N 2.66Å; L460-K463 VanDerWaalsContact O-CB 3.28Å; L460-K463 WeakPolarHBondContact O-CB 3.28Å; L461-K463 VanDerWaalsContact C-N 3.26Å; L461-K463 PolarHBondContact O-N 3.48Å
464V90.7Very high91.2Very high101 Ų10186.1 Ų86.161%0.61244%0.441SS*.PPolyproline II helixtrans-72.5128.1177.5-177.10000110E462 L468E462-V464 PolarHBondContact O-N 2.75Å; V464-L468 HydrophobicContact CG1-CB 3.99Å; V464-L468 HydrophobicContact CG1-CD1 4.14Å
465P90.6Very high90.6Very high71 Ų7182 Ų8246%0.46143%0.429SS..PPolyproline II helixtrans-67148.3174.126.7-35.1000111.8E467 L468P465-E467 PolarHBondContact O-N 2.76Å; P465-L468 HydrophobicContact CG-CD1 3.55Å; P465-L468 HydrophobicContact CG-CG 3.83Å; P465-L468 PolarHBondContact O-N 3.22Å; P465-L468 VanDerWaalsContact O-N 3.16Å
466A90.5Very high90.2Very high32 Ų3282.8 Ų82.826%0.26444%0.438SS..G310 helixtrans-61.7-28.3-175.600000113.7V265 P301 L468 I469V265-A466 HydrophobicContact CG1-CB 3.86Å; P301-A466 HydrophobicContact CB-CB 4.28Å; P301-A466 HydrophobicContact CG-CB 3.87Å; P301-A466 WeakPolarHBondContact CG-O 3.32Å; A466-L468 PolarHBondContact O-N 3.37Å; A466-I469 WeakPolarHBondContact O-CB 3.15Å; A466-I469 PolarHBondContact O-N 3.47Å
467E89.7Confident89.8Confident167 Ų16783.5 Ų83.578%0.7846%0.458SS*.G310 helixtrans-64.6-24.2179.3-63178.217900113.3P465 I469P465-E467 PolarHBondContact O-N 2.76Å; E467-I469 VanDerWaalsContact C-N 3.25Å; E467-I469 PolarHBondContact O-N 2.91Å
468L90.7Very high89.3Confident81 Ų8186.2 Ų86.242%0.42447%0.465SS..G310 helixtrans-81.5-1.5179.5-65.1178000113.4V464 P465 A466 C470 L476V464-L468 HydrophobicContact CG1-CB 3.99Å; V464-L468 HydrophobicContact CG1-CD1 4.14Å; P465-L468 HydrophobicContact CG-CD1 3.55Å; P465-L468 HydrophobicContact CG-CG 3.83Å; P465-L468 PolarHBondContact O-N 3.22Å; P465-L468 VanDerWaalsContact O-N 3.16Å; A466-L468 PolarHBondContact O-N 3.37Å; L468-C470 PolarHBondContact O-N 2.99Å; L468-L476 HydrophobicContact CB-CD1 4.18Å; L468-L476 HydrophobicContact CD2-CD1 4.25Å; L468-L476 HydrophobicContact CD2-CD2 4.09Å
469I91.8Very high89Confident33 Ų3386.6 Ų86.617%0.16948%0.475CS..  trans-77.9111.9179.6-63.3173.1000109.4A285 V286 S300 P301 A466 E467A285-I469 HydrophobicContact CB-CD1 4.31Å; A285-I469 HydrophobicContact CB-CG1 4.41Å; A285-I469 HydrophobicContact CB-CG2 4.46Å; V286-I469 HydrophobicContact CG2-CG2 4.14Å; S300-I469 WeakPolarHBondContact CB-O 3.47Å; S300-I469 PolarHBondContact OG-O 2.89Å; P301-I469 HydrophobicContact CG-CB 4.32Å; P301-I469 HydrophobicContact CG-CD1 3.82Å; A466-I469 WeakPolarHBondContact O-CB 3.15Å; A466-I469 PolarHBondContact O-N 3.47Å; E467-I469 VanDerWaalsContact C-N 3.25Å; E467-I469 PolarHBondContact O-N 2.91Å
470C90Very high88.8Confident30 Ų3088.8 Ų88.820%0.20348%0.481CS..  trans-137167.4-179.863.40000111.4L468 N472L468-C470 PolarHBondContact O-N 2.99Å; C470-N472 VanDerWaalsContact C-N 3.32Å; C470-N472 PolarHBondContact O-N 2.8Å; C470-N472 VanDerWaalsContact SG-C 3.53Å; C470-N472 PolarHBondContact SG-O 2.69Å
471L89Confident88.7Confident50 Ų5087.9 Ų87.926%0.26248%0.48SS..SBendtrans-60.7-42.5-178-171.869.7000111.9N284 L298 L307 F347N284-L471 PolarHBondContact ND2-O 3.05Å; L298-L471 HydrophobicContact CD2-CD1 4Å; L307-L471 HydrophobicContact CD1-CB 4.43Å; F347-L471 HydrophobicContact CZ-CD2 4.47Å
472N88Confident88.5Confident89 Ų8985.1 Ų85.148%0.47647%0.469SS..  trans-117.8104.8178.7-73.8-28.4000109.7C470 R474 A475C470-N472 VanDerWaalsContact C-N 3.32Å; C470-N472 PolarHBondContact O-N 2.8Å; C470-N472 VanDerWaalsContact SG-C 3.53Å; C470-N472 PolarHBondContact SG-O 2.69Å; N472-R474 PolarHBondContact O-N 3.33Å; N472-R474 VanDerWaalsContact O-N 3.11Å; N472-A475 HydrophobicContact CB-CB 4.15Å; N472-A475 VanDerWaalsContact O-CB 3.25Å; N472-A475 WeakPolarHBondContact O-CB 3Å; N472-A475 PolarHBondContact O-N 3.29Å
473P87.7Confident88.4Confident42 Ų4281.7 Ų81.727%0.27346%0.456SS..G310 helixtrans-57.1-30.2-179.7-27.435.2000113.9Y283 N284 A475 L476Y283-P473 HydrophobicContact CD1-CG 4.27Å; Y283-P473 HydrophobicContact CE1-CG 3.94Å; N284-P473 HydrophobicContact CB-CG 3.72Å; P473-A475 VanDerWaalsContact C-N 3.26Å; P473-A475 PolarHBondContact O-N 3.25Å; P473-L476 WeakPolarHBondContact O-CG 3.44Å; P473-L476 PolarHBondContact O-N 2.97Å
474R85.6Confident88.3Confident149 Ų14982 Ų8256%0.56246%0.462SS*.G310 helixtrans-67.9-22.9177.2-68.7179.5178.8168.4-0.9113.6N472 L476 A477N472-R474 PolarHBondContact O-N 3.33Å; N472-R474 VanDerWaalsContact O-N 3.11Å; R474-L476 PolarHBondContact O-N 3.13Å; R474-A477 PolarHBondContact O-N 3.42Å
475A83.2Confident88.2Confident41 Ų4182.2 Ų82.234%0.33946%0.456SS..G310 helixtrans-66.9-19179.500000112.5N472 P473 A477 E478N472-A475 HydrophobicContact CB-CB 4.15Å; N472-A475 VanDerWaalsContact O-CB 3.25Å; N472-A475 WeakPolarHBondContact O-CB 3Å; N472-A475 PolarHBondContact O-N 3.29Å; P473-A475 VanDerWaalsContact C-N 3.26Å; P473-A475 PolarHBondContact O-N 3.25Å; A475-A477 PolarHBondContact O-N 3.3Å; A475-E478 WeakPolarHBondContact O-CB 3.43Å; A475-E478 PolarHBondContact O-N 3.43Å
476L83.2Confident88.2Confident96 Ų9683.7 Ų83.750%0.50346%0.457SS..G310 helixtrans-63-23.7176.1-64.4173.1000113.2L468 P473 R474L468-L476 HydrophobicContact CB-CD1 4.18Å; L468-L476 HydrophobicContact CD2-CD1 4.25Å; L468-L476 HydrophobicContact CD2-CD2 4.09Å; P473-L476 WeakPolarHBondContact O-CG 3.44Å; P473-L476 PolarHBondContact O-N 2.97Å; R474-L476 PolarHBondContact O-N 3.13Å
477A83.6Confident88.3Confident94 Ų9488.5 Ų88.578%0.77747%0.472SS*.G310 helixtrans-87.9-9.4176.400000113R474 A475R474-A477 PolarHBondContact O-N 3.42Å; A475-A477 PolarHBondContact O-N 3.3Å
478E85.4Confident88.2Confident141 Ų14184.8 Ų84.866%0.65945%0.453SS*.SBendtrans-75.3150.6179.4-64.9-176.7172.200110.8A475A475-E478 WeakPolarHBondContact O-CB 3.43Å; A475-E478 PolarHBondContact O-N 3.43Å
479V85.9Confident88.1Confident101 Ų10186.8 Ų86.861%0.61246%0.458SS*.  trans-82.9132.9179-167.40000109.1V481 L484V479-V481 PolarHBondContact O-N 3.01Å; V479-L484 HydrophobicContact CB-CD1 4.11Å; V479-L484 HydrophobicContact CG1-CD1 3.35Å; V479-L484 HydrophobicContact CG1-CD2 4.23Å; V479-L484 HydrophobicContact CG1-CG 3.69Å
480D87.6Confident88.1Confident85 Ų8589.4 Ų89.446%0.45547%0.47SS..  trans-65.2106.8173.3175.119.9000110.8V482 T483 L484D480-V482 VanDerWaalsContact C-N 3.26Å; D480-V482 PolarHBondContact O-N 3.45Å; D480-V482 PolarHBondContact OD1-N 3.15Å; D480-T483 WeakPolarHBondContact CB-OG1 3.08Å; D480-T483 VanDerWaalsContact CG-OG1 3.24Å; D480-T483 PolarHBondContact O-OG1 2.95Å; D480-T483 WeakPolarHBondContact OD2-CB 3.16Å; D480-T483 WeakPolarHBondContact OD2-CG2 2.98Å; D480-T483 PolarHBondContact OD2-N 3.24Å; D480-T483 PolarHBondContact OD2-OG1 3.31Å; D480-L484 WeakPolarHBondContact O-CG 3.26Å; D480-L484 PolarHBondContact O-N 2.94Å
481V89.9Confident88.1Confident89 Ų8995.2 Ų95.254%0.53949%0.487SS..Hα-helixtrans-64.3-33.4-177.8-176.40000110.9V479 L484 E485V479-V481 PolarHBondContact O-N 3.01Å; V481-L484 PolarHBondContact O-N 3.1Å; V481-E485 HydrophobicContact CG1-CG 4.25Å; V481-E485 WeakPolarHBondContact O-CB 3.39Å; V481-E485 WeakPolarHBondContact O-CG 3.49Å; V481-E485 PolarHBondContact O-N 2.86Å
482V89.4Confident88.1Confident85 Ų8595 Ų9552%0.51549%0.486SS..Hα-helixtrans-68-48.8-175.6-179.90000110.4D480 L484 E485 Q486D480-V482 VanDerWaalsContact C-N 3.26Å; D480-V482 PolarHBondContact O-N 3.45Å; D480-V482 PolarHBondContact OD1-N 3.15Å; V482-L484 VanDerWaalsContact C-N 3.32Å; V482-L484 PolarHBondContact O-N 3.09Å; V482-E485 PolarHBondContact O-N 2.59Å; V482-Q486 VanDerWaalsContact O-CG 3.32Å; V482-Q486 WeakPolarHBondContact O-CG 3.36Å; V482-Q486 PolarHBondContact O-N 2.81Å
483T91.8Very high88.2Confident54 Ų5498.1 Ų98.133%0.33150%0.498SS..Hα-helixtrans-67.8-33177.150.80000112.3D480 Q486 K487D480-T483 WeakPolarHBondContact CB-OG1 3.08Å; D480-T483 VanDerWaalsContact CG-OG1 3.24Å; D480-T483 PolarHBondContact O-OG1 2.95Å; D480-T483 WeakPolarHBondContact OD2-CB 3.16Å; D480-T483 WeakPolarHBondContact OD2-CG2 2.98Å; D480-T483 PolarHBondContact OD2-N 3.24Å; D480-T483 PolarHBondContact OD2-OG1 3.31Å; T483-Q486 PolarHBondContact O-N 3.3Å; T483-K487 WeakPolarHBondContact O-CB 3.31Å; T483-K487 VanDerWaalsContact O-CG 3.31Å; T483-K487 WeakPolarHBondContact O-CG 3.18Å; T483-K487 PolarHBondContact O-N 2.76Å
484L89.8Confident88.3Confident91 Ų91105.7 Ų105.748%0.47652%0.521SS..Hα-helixtrans-64.1-44.1171.4-78.8-173.6000112.6V479 D480 V481 V482 Q486 K487 K488V479-L484 HydrophobicContact CB-CD1 4.11Å; V479-L484 HydrophobicContact CG1-CD1 3.35Å; V479-L484 HydrophobicContact CG1-CD2 4.23Å; V479-L484 HydrophobicContact CG1-CG 3.69Å; D480-L484 WeakPolarHBondContact O-CG 3.26Å; D480-L484 PolarHBondContact O-N 2.94Å; V481-L484 PolarHBondContact O-N 3.1Å; V482-L484 VanDerWaalsContact C-N 3.32Å; V482-L484 PolarHBondContact O-N 3.09Å; L484-Q486 VanDerWaalsContact C-N 3.33Å; L484-K487 PolarHBondContact O-N 2.94Å; L484-K488 WeakPolarHBondContact O-CB 3.04Å; L484-K488 PolarHBondContact O-N 2.95Å
485E89.5Confident88.5Confident106 Ų106103.3 Ų103.350%0.49552%0.519SS..Hα-helixtrans-63.4-39.9176.4-77.9-177-176.900111.7V481 V482 K488 K489V481-E485 HydrophobicContact CG1-CG 4.25Å; V481-E485 WeakPolarHBondContact O-CB 3.39Å; V481-E485 WeakPolarHBondContact O-CG 3.49Å; V481-E485 PolarHBondContact O-N 2.86Å; V482-E485 PolarHBondContact O-N 2.59Å; E485-K488 PolarHBondContact O-N 2.81Å; E485-K489 VanDerWaalsContact O-CG 3.31Å; E485-K489 WeakPolarHBondContact O-CG 3.39Å; E485-K489 PolarHBondContact O-N 2.97Å
486Q90.6Very high88.6Confident101 Ų101104.8 Ų104.847%0.47254%0.538SS..Hα-helixtrans-61.8-51.2174.1-73.8171.7-9.300111.3V482 T483 L484 K488 K489 E490V482-Q486 VanDerWaalsContact O-CG 3.32Å; V482-Q486 WeakPolarHBondContact O-CG 3.36Å; V482-Q486 PolarHBondContact O-N 2.81Å; T483-Q486 PolarHBondContact O-N 3.3Å; L484-Q486 VanDerWaalsContact C-N 3.33Å; Q486-K488 PolarHBondContact O-N 2.84Å; Q486-K489 WeakPolarHBondContact O-CB 3Å; Q486-K489 PolarHBondContact O-N 2.82Å; Q486-K489 VanDerWaalsContact O-N 3.07Å; Q486-E490 WeakPolarHBondContact O-CG 3.36Å; Q486-E490 PolarHBondContact O-N 3.5Å
487K91.3Very high88.5Confident134 Ų134107.5 Ų107.558%0.58354%0.542SS*.Hα-helixtrans-58.4-36.7175.1-74.4174.7-178.61750112.1T483 L484 R491T483-K487 WeakPolarHBondContact O-CB 3.31Å; T483-K487 VanDerWaalsContact O-CG 3.31Å; T483-K487 WeakPolarHBondContact O-CG 3.18Å; T483-K487 PolarHBondContact O-N 2.76Å; L484-K487 PolarHBondContact O-N 2.94Å; K487-R491 VanDerWaalsContact O-CB 3.24Å; K487-R491 WeakPolarHBondContact O-CB 3.16Å; K487-R491 PolarHBondContact O-N 2.87Å
488K88.3Confident88.3Confident89 Ų89105.1 Ų105.139%0.38752%0.517SS..Hα-helixtrans-65.6-45.5175.3-171173.2179.1166.90110.9L484 E485 Q486 R491 I492 D500L484-K488 WeakPolarHBondContact O-CB 3.04Å; L484-K488 PolarHBondContact O-N 2.95Å; E485-K488 PolarHBondContact O-N 2.81Å; Q486-K488 PolarHBondContact O-N 2.84Å; K488-R491 WeakPolarHBondContact O-CB 3.4Å; K488-R491 PolarHBondContact O-N 3.4Å; K488-I492 HydrophobicContact CG-CD1 4Å; K488-I492 VanDerWaalsContact O-CG1 3.22Å; K488-I492 WeakPolarHBondContact O-CG1 3.47Å; K488-I492 PolarHBondContact O-N 3.19Å; K488-D500 IonicContact NZ-OD2 3.45Å; K488-D500 PolarHBondContact NZ-OD2 3.43Å
489K89.2Confident87.8Confident123 Ų123101 Ų10154%0.53550%0.502SS..Hα-helixtrans-60.1-49.5175.6-73170.5-175.3172.20111.8E485 Q486 R491 I492 E493E485-K489 VanDerWaalsContact O-CG 3.31Å; E485-K489 WeakPolarHBondContact O-CG 3.39Å; E485-K489 PolarHBondContact O-N 2.97Å; Q486-K489 WeakPolarHBondContact O-CB 3Å; Q486-K489 PolarHBondContact O-N 2.82Å; Q486-K489 VanDerWaalsContact O-N 3.07Å; K489-R491 VanDerWaalsContact C-N 3.25Å; K489-R491 PolarHBondContact O-N 3.25Å; K489-I492 WeakPolarHBondContact O-CB 3.41Å; K489-I492 PolarHBondContact O-N 3.07Å; K489-I492 VanDerWaalsContact O-N 3.08Å; K489-E493 WeakPolarHBondContact O-CG 3.44Å; K489-E493 PolarHBondContact O-N 2.98Å
490E90.7Very high87.2Confident88 Ų88101.1 Ų101.141%0.41150%0.499SS..Hα-helixtrans-58.8-38.5176.2-70.9177.4-164.900112Q486 E493 R494Q486-E490 WeakPolarHBondContact O-CG 3.36Å; Q486-E490 PolarHBondContact O-N 3.5Å; E490-E493 PolarHBondContact O-N 2.97Å; E490-R494 WeakPolarHBondContact O-CG 3.5Å; E490-R494 PolarHBondContact O-N 3.09Å; E490-R494 IonicContact OE2-NH2 3.24Å
491R89.6Confident86.6Confident152 Ų152100.1 Ų100.157%0.57450%0.502SS*.Hα-helixtrans-66-42.2175.9-177.2179.3-179.7-162.3-2.1111.6K487 K488 K489 R494 L495K487-R491 VanDerWaalsContact O-CB 3.24Å; K487-R491 WeakPolarHBondContact O-CB 3.16Å; K487-R491 PolarHBondContact O-N 2.87Å; K488-R491 WeakPolarHBondContact O-CB 3.4Å; K488-R491 PolarHBondContact O-N 3.4Å; K489-R491 VanDerWaalsContact C-N 3.25Å; K489-R491 PolarHBondContact O-N 3.25Å; R491-R494 PolarHBondContact O-N 2.83Å; R491-L495 HydrophobicContact CG-CD1 3.78Å; R491-L495 HydrophobicContact CG-CG 4.48Å; R491-L495 WeakPolarHBondContact O-CB 3.45Å; R491-L495 VanDerWaalsContact O-CG 3.26Å; R491-L495 WeakPolarHBondContact O-CG 3.49Å; R491-L495 PolarHBondContact O-N 3.31Å
492I89.7Confident85.6Confident46 Ų46105.4 Ų105.424%0.23652%0.518CS..Hα-helixtrans-63.5-44176-67.4163.4000110K488 K489 R494 L495 G496 D498K488-I492 HydrophobicContact CG-CD1 4Å; K488-I492 VanDerWaalsContact O-CG1 3.22Å; K488-I492 WeakPolarHBondContact O-CG1 3.47Å; K488-I492 PolarHBondContact O-N 3.19Å; K489-I492 WeakPolarHBondContact O-CB 3.41Å; K489-I492 PolarHBondContact O-N 3.07Å; K489-I492 VanDerWaalsContact O-N 3.08Å; I492-R494 PolarHBondContact O-N 3.13Å; I492-L495 PolarHBondContact O-N 2.7Å; I492-G496 PolarHBondContact O-N 3.3Å; I492-D498 HydrophobicContact CD1-CB 3.98Å; I492-D498 HydrophobicContact CG1-CB 3.96Å; I492-D498 HydrophobicContact CG2-CB 4.07Å
493E89.8Confident84.8Confident153 Ų153106 Ų10672%0.71553%0.532SS*.Hα-helixtrans-61.4-43.2176.9-73.5172.4-173.500111.9K489 E490 L495 G496K489-E493 WeakPolarHBondContact O-CG 3.44Å; K489-E493 PolarHBondContact O-N 2.98Å; E490-E493 PolarHBondContact O-N 2.97Å; E493-L495 PolarHBondContact O-N 3.06Å; E493-G496 PolarHBondContact O-N 3.31Å
494R90.4Very high83.6Confident201 Ų201107.8 Ų107.876%0.75855%0.553SS**Hα-helixtrans-66.3-35.2175.8-73.9-178.4-151.61748.9113.5E490 R491 I492E490-R494 WeakPolarHBondContact O-CG 3.5Å; E490-R494 PolarHBondContact O-N 3.09Å; E490-R494 IonicContact OE2-NH2 3.24Å; R491-R494 PolarHBondContact O-N 2.83Å; I492-R494 PolarHBondContact O-N 3.13Å
495L89.3Confident82.6Confident100 Ų100112 Ų11252%0.52457%0.567SS.*Hα-helixtrans-85.9-16.8-178.5-69.7171.3000112.7R491 I492 E493 Y497R491-L495 HydrophobicContact CG-CD1 3.78Å; R491-L495 HydrophobicContact CG-CG 4.48Å; R491-L495 WeakPolarHBondContact O-CB 3.45Å; R491-L495 VanDerWaalsContact O-CG 3.26Å; R491-L495 WeakPolarHBondContact O-CG 3.49Å; R491-L495 PolarHBondContact O-N 3.31Å; I492-L495 PolarHBondContact O-N 2.7Å; E493-L495 PolarHBondContact O-N 3.06Å; L495-Y497 PolarHBondContact O-N 2.8Å; L495-Y497 VanDerWaalsContact O-N 3.17Å
496G85.1Confident81.7Confident71 Ų71115 Ų11573%0.73258%0.582SS**THydrogen-bonded Turntrans68.73-175.600000114.7I492 E493I492-G496 PolarHBondContact O-N 3.3Å; E493-G496 PolarHBondContact O-N 3.31Å
497Y82.4Confident80.4Confident153 Ų153115.2 Ų115.260%0.659%0.591SS**SBendtrans-154.9144.2-177.5142.5-102000109.7L495 P499L495-Y497 PolarHBondContact O-N 2.8Å; L495-Y497 VanDerWaalsContact O-N 3.17Å; Y497-P499 HydrophobicContact CE1-CB 4.15Å; Y497-P499 WeakPolarHBondContact O-CD 3.35Å; Y497-P499 WeakPolarHBondContact OH-CA 3.32Å
498D77.8Confident79.2Confident45 Ų45117.7 Ų117.724%0.24160%0.602CS.*  trans-91.3110176.7-177.55.9000111I492 D500 A501I492-D498 HydrophobicContact CD1-CB 3.98Å; I492-D498 HydrophobicContact CG1-CB 3.96Å; I492-D498 HydrophobicContact CG2-CB 4.07Å; D498-D500 PolarHBondContact O-N 3.09Å; D498-D500 PolarHBondContact OD1-N 3.01Å; D498-A501 HydrophobicContact CB-CB 3.99Å; D498-A501 WeakPolarHBondContact O-CB 3.19Å; D498-A501 PolarHBondContact O-N 3.15Å
499P76.6Confident77.9Confident53 Ų53118.5 Ų118.534%0.34463%0.626SS.*THydrogen-bonded Turntrans-63.9-21.6-179.426.8-34.6000113.9Y497Y497-P499 HydrophobicContact CE1-CB 4.15Å; Y497-P499 WeakPolarHBondContact O-CD 3.35Å; Y497-P499 WeakPolarHBondContact OH-CA 3.32Å
500D73.6Confident76.2Confident105 Ų105122.1 Ų122.156%0.56164%0.641SS**THydrogen-bonded Turntrans-106.511.2-177.6-57.4-34.9000112.6K488 D498 K502K488-D500 IonicContact NZ-OD2 3.45Å; K488-D500 PolarHBondContact NZ-OD2 3.43Å; D498-D500 PolarHBondContact O-N 3.09Å; D498-D500 PolarHBondContact OD1-N 3.01Å; D500-K502 PolarHBondContact O-N 3.28Å; D500-K502 VanDerWaalsContact O-N 3.11Å
501A74.9Confident74.6Confident63 Ų63126.9 Ų126.952%0.52166%0.664SS.*PPolyproline II helixtrans-60.9117.6-177.600000110.9D498D498-A501 HydrophobicContact CB-CB 3.99Å; D498-A501 WeakPolarHBondContact O-CB 3.19Å; D498-A501 PolarHBondContact O-N 3.15Å
502K68.9Low72.6Confident200 Ų200130.4 Ų130.487%0.8768%0.683SS**PPolyproline II helixtrans-62.7138.7165.8-72.9-178.4179.1177.40108.4D500 A504D500-K502 PolarHBondContact O-N 3.28Å; D500-K502 VanDerWaalsContact O-N 3.11Å; K502-A504 PolarHBondContact O-N 2.98Å
503A71Confident71.2Confident98 Ų98131.2 Ų131.281%0.8170%0.703SS**PPolyproline II helixtrans-48.5134.2174.700000110F505A503-F505 PolarHBondContact O-N 3.2Å; A503-F505 VanDerWaalsContact O-N 3.15Å
504A67.4Low69.7Low92 Ų92135.9 Ų135.976%0.7671%0.714SS**PPolyproline II helixtrans-50.8125.5-17800000109.6K502 Q506K502-A504 PolarHBondContact O-N 2.98Å; A504-Q506 PolarHBondContact O-N 2.82Å
505F69Low68.1Low178 Ų178129.8 Ų129.878%0.78170%0.702SS**  trans-57.4108.8177.2173.3-101.9000108.5A503 P507A503-F505 PolarHBondContact O-N 3.2Å; A503-F505 VanDerWaalsContact O-N 3.15Å; F505-P507 HydrophobicContact CE1-CB 4.22Å; F505-P507 WeakPolarHBondContact O-CD 3.45Å
506Q69.1Low66.9Low171 Ų171129.5 Ų129.580%0.79971%0.708SS**  trans-73.9111.5173-69.5-174.5-3.700107.7A504 K508A504-Q506 PolarHBondContact O-N 2.82Å; Q506-K508 PolarHBondContact O-N 2.91Å
507P65.2Low65.7Low104 Ų104130.8 Ų130.868%0.67570%0.702SS**  trans-65.5115.1-178.927-32.6000109F505 A509F505-P507 HydrophobicContact CE1-CB 4.22Å; F505-P507 WeakPolarHBondContact O-CD 3.45Å; P507-A509 PolarHBondContact O-N 2.97Å
508K65.4Low64.9Low186 Ų186125.6 Ų125.681%0.80969%0.691SS**  trans-58.8132.2163.8-69-174.3177.1-176.50107.9Q506 K510Q506-K508 PolarHBondContact O-N 2.91Å; K508-K510 PolarHBondContact O-N 3.37Å
509A60.1Low64.4Low107 Ų107127 Ų12788%0.88470%0.704SS**  trans-57.898.6177.200000109.3P507P507-A509 PolarHBondContact O-N 2.97Å
510K54.5Low63.9Low198 Ų198129 Ų12986%0.86171%0.712SS**  trans-75.4136171.7-74.2-169.5176.3-174.20108.2K508K508-K510 PolarHBondContact O-N 3.37Å
511Q57.7Low63.8Low189 Ų189128 Ų12888%0.88371%0.709SS**  trans-50.5144.2166.2-83.8-176.9-29.800110.7G513Q511-G513 PolarHBondContact O-N 2.87Å
512K47.6Very low63.6Low225 Ų225132.1 Ų132.198%0.97872%0.715SS**SBendtrans-58.699.4-174.5-165.3179.7-173.8-178.60110.6
513G58.5Low63.7Low63 Ų63131.9 Ų131.965%0.64971%0.708SS**  trans166.6113.2172.200000113.8Q511Q511-G513 PolarHBondContact O-N 2.87Å
514R58.9Low63.8Low252 Ų252133.9 Ų133.995%0.95170%0.699SS**  trans70.897.2166.3-65.2177.8170.5171.9-2.8117.6
515S57.8Low64Low73 Ų73136.1 Ų136.151%0.5169%0.692SS.*  trans-13893.8142.858.10000110.5T517 A518S515-T517 PolarHBondContact O-N 2.96Å; S515-A518 PolarHBondContact O-N 2.85Å; S515-A518 WeakPolarHBondContact OG-CB 3.29Å
516S63Low64.3Low93 Ų93134.7 Ų134.765%0.6569%0.685SS**Hα-helixtrans-59.7-23.2174.254.10000112.9S519 L520S516-S519 PolarHBondContact O-OG 2.92Å; S516-L520 WeakPolarHBondContact O-CB 3.48Å; S516-L520 PolarHBondContact O-N 3.44Å
517T59.5Low64.5Low98 Ų98129.6 Ų129.660%0.60167%0.665SS**Hα-helixtrans-75.5-36.9178.150.90000112.6S515 L520 V521S515-T517 PolarHBondContact O-N 2.96Å; T517-L520 PolarHBondContact O-N 3.44Å; T517-V521 WeakPolarHBondContact O-CG2 3.35Å; T517-V521 PolarHBondContact O-N 3.4Å
518A66.1Low64.4Low44 Ų44130.3 Ų130.336%0.36466%0.661SS.*Hα-helixtrans-70.9-35-179.700000112.4S515 K522S515-A518 PolarHBondContact O-N 2.85Å; S515-A518 WeakPolarHBondContact OG-CB 3.29Å; A518-K522 WeakPolarHBondContact O-CB 3.34Å; A518-K522 WeakPolarHBondContact O-CG 3.41Å; A518-K522 PolarHBondContact O-N 3.42Å
519S67.3Low64.8Low74 Ų74126 Ų12652%0.51765%0.647SS.*Hα-helixtrans-69-37.3173.458.40000111.9S516 K522 R523S516-S519 PolarHBondContact O-OG 2.92Å; S519-K522 PolarHBondContact O-N 2.91Å; S519-R523 WeakPolarHBondContact O-CB 3.14Å; S519-R523 PolarHBondContact O-N 3.5Å
520L65.6Low65.4Low97 Ų97126.4 Ų126.451%0.50863%0.63SS.*Hα-helixtrans-68.2-39.9177.7-148.4146.6000111.8S516 T517 R523 K524S516-L520 WeakPolarHBondContact O-CB 3.48Å; S516-L520 PolarHBondContact O-N 3.44Å; T517-L520 PolarHBondContact O-N 3.44Å; L520-R523 PolarHBondContact O-N 3.24Å; L520-K524 HydrophobicContact CD2-CD 4.19Å; L520-K524 HydrophobicContact CD2-CG 4.45Å; L520-K524 WeakPolarHBondContact O-CG 3.13Å; L520-K524 PolarHBondContact O-N 2.94Å
521V72.1Confident66.3Low82 Ų82121.3 Ų121.350%0.49761%0.61SS.*Hα-helixtrans-66-41.9172.3173.10000111.6T517 R523 K524 K525T517-V521 WeakPolarHBondContact O-CG2 3.35Å; T517-V521 PolarHBondContact O-N 3.4Å; V521-R523 VanDerWaalsContact C-N 3.31Å; V521-R523 PolarHBondContact O-N 3.16Å; V521-K524 PolarHBondContact O-N 3.41Å; V521-K525 WeakPolarHBondContact O-CB 3.27Å; V521-K525 PolarHBondContact O-N 3.28Å
522K71.5Confident67Low151 Ų151118.2 Ų118.266%0.65760%0.595SS**Hα-helixtrans-61.7-38.6173.6-79.3-179.1179.7-176.20111.9A518 S519 K526A518-K522 WeakPolarHBondContact O-CB 3.34Å; A518-K522 WeakPolarHBondContact O-CG 3.41Å; A518-K522 PolarHBondContact O-N 3.42Å; S519-K522 PolarHBondContact O-N 2.91Å; K522-K526 WeakPolarHBondContact O-CG 3.41Å; K522-K526 PolarHBondContact O-N 3.46Å
523R70.8Confident68.3Low194 Ų194116.3 Ų116.373%0.73258%0.582SS**Hα-helixtrans-67.3-45.8176.9-163176-176.41750.8111.4S519 L520 V521 K525 K526 V527S519-R523 WeakPolarHBondContact O-CB 3.14Å; S519-R523 PolarHBondContact O-N 3.5Å; L520-R523 PolarHBondContact O-N 3.24Å; V521-R523 VanDerWaalsContact C-N 3.31Å; V521-R523 PolarHBondContact O-N 3.16Å; R523-K525 PolarHBondContact O-N 3.02Å; R523-K526 PolarHBondContact O-N 3.42Å; R523-V527 WeakPolarHBondContact O-CG2 3.45Å; R523-V527 PolarHBondContact O-N 2.68Å
524K72.2Confident69.3Low141 Ų141117.3 Ų117.361%0.61357%0.572SS**Hα-helixtrans-59.5-44.3173.9-75.6-176.1174.9-1750112.1L520 V521 V527 M528L520-K524 HydrophobicContact CD2-CD 4.19Å; L520-K524 HydrophobicContact CD2-CG 4.45Å; L520-K524 WeakPolarHBondContact O-CG 3.13Å; L520-K524 PolarHBondContact O-N 2.94Å; V521-K524 PolarHBondContact O-N 3.41Å; K524-V527 PolarHBondContact O-N 2.96Å; K524-M528 VanDerWaalsContact O-CG 3.3Å; K524-M528 WeakPolarHBondContact O-CG 3.27Å; K524-M528 PolarHBondContact O-N 3.01Å
525K72.1Confident70.4Confident139 Ų139111.6 Ų111.660%0.60455%0.554SS**Hα-helixtrans-61.7-44.9175.6-82.6-171.9173.1-171.80112.5V521 R523 V527 M528 D529V521-K525 WeakPolarHBondContact O-CB 3.27Å; V521-K525 PolarHBondContact O-N 3.28Å; R523-K525 PolarHBondContact O-N 3.02Å; K525-V527 VanDerWaalsContact C-N 3.31Å; K525-V527 PolarHBondContact O-N 2.96Å; K525-M528 PolarHBondContact O-N 3.25Å; K525-D529 WeakPolarHBondContact O-CB 3.41Å; K525-D529 VanDerWaalsContact O-CG 3.24Å; K525-D529 PolarHBondContact O-N 3.04Å
526K74.8Confident71.4Confident148 Ų148111 Ų11164%0.64355%0.548SS*.Hα-helixtrans-59.7-39.8176-78.1-175.9178.2-169.80112.7K522 R523 Q530K522-K526 WeakPolarHBondContact O-CG 3.41Å; K522-K526 PolarHBondContact O-N 3.46Å; R523-K526 PolarHBondContact O-N 3.42Å; K526-Q530 WeakPolarHBondContact O-CB 3.11Å; K526-Q530 VanDerWaalsContact O-CG 3.24Å; K526-Q530 WeakPolarHBondContact O-CG 3.3Å; K526-Q530 PolarHBondContact O-N 3.36Å
527V74Confident72.3Confident63 Ų63114.2 Ų114.238%0.38255%0.545SS..Hα-helixtrans-68.6-44.3177.3174.60000110.9R523 K524 K525 D529 Q530 E531R523-V527 WeakPolarHBondContact O-CG2 3.45Å; R523-V527 PolarHBondContact O-N 2.68Å; K524-V527 PolarHBondContact O-N 2.96Å; K525-V527 VanDerWaalsContact C-N 3.31Å; K525-V527 PolarHBondContact O-N 2.96Å; V527-D529 PolarHBondContact O-N 2.89Å; V527-Q530 WeakPolarHBondContact O-CB 3.43Å; V527-Q530 PolarHBondContact O-N 3.08Å; V527-E531 WeakPolarHBondContact O-CG 3.34Å; V527-E531 PolarHBondContact O-N 3.38Å
528M64Low73.4Confident120 Ų120115 Ų11559%0.59154%0.542SS*.Hα-helixtrans-62.1-41.7175.4-69.3-66.9-6100112.4K524 K525 Q530 E531 H532K524-M528 VanDerWaalsContact O-CG 3.3Å; K524-M528 WeakPolarHBondContact O-CG 3.27Å; K524-M528 PolarHBondContact O-N 3.01Å; K525-M528 PolarHBondContact O-N 3.25Å; M528-Q530 VanDerWaalsContact C-N 3.32Å; M528-E531 PolarHBondContact O-N 3.43Å; M528-H532 WeakPolarHBondContact O-CB 3.4Å; M528-H532 PolarHBondContact O-N 2.9Å
529D73.8Confident74.3Confident94 Ų94115.3 Ų115.350%0.50354%0.542SS..Hα-helixtrans-66.7-34.8176.5-70.8-16.5000111.4K525 V527 R533K525-D529 WeakPolarHBondContact O-CB 3.41Å; K525-D529 VanDerWaalsContact O-CG 3.24Å; K525-D529 PolarHBondContact O-N 3.04Å; V527-D529 PolarHBondContact O-N 2.89Å; D529-R533 WeakPolarHBondContact O-CB 3.48Å; D529-R533 WeakPolarHBondContact O-CG 2.95Å; D529-R533 PolarHBondContact O-N 3.26Å
530Q72Confident75.1Confident116 Ų116115.9 Ų115.954%0.54254%0.538SS..Hα-helixtrans-66-50.9172.4-80.7173.3-23.200111.2K526 V527 M528 H532 R533 D534K526-Q530 WeakPolarHBondContact O-CB 3.11Å; K526-Q530 VanDerWaalsContact O-CG 3.24Å; K526-Q530 WeakPolarHBondContact O-CG 3.3Å; K526-Q530 PolarHBondContact O-N 3.36Å; V527-Q530 WeakPolarHBondContact O-CB 3.43Å; V527-Q530 PolarHBondContact O-N 3.08Å; M528-Q530 VanDerWaalsContact C-N 3.32Å; Q530-H532 VanDerWaalsContact C-N 3.28Å; Q530-H532 PolarHBondContact O-N 2.96Å; Q530-R533 PolarHBondContact O-N 3.2Å; Q530-R533 VanDerWaalsContact O-N 3.14Å; Q530-D534 WeakPolarHBondContact O-CB 3.36Å; Q530-D534 VanDerWaalsContact O-CG 3.27Å; Q530-D534 PolarHBondContact O-N 3.34Å
531E72.8Confident76Confident92 Ų92115.4 Ų115.443%0.4353%0.534SS..Hα-helixtrans-59.2-38.4176.8-73.1179.2-170.500112.4V527 M528 K535V527-E531 WeakPolarHBondContact O-CG 3.34Å; V527-E531 PolarHBondContact O-N 3.38Å; M528-E531 PolarHBondContact O-N 3.43Å; E531-K535 WeakPolarHBondContact O-CB 3.25Å; E531-K535 VanDerWaalsContact O-CG 3.28Å; E531-K535 WeakPolarHBondContact O-CG 3.48Å; E531-K535 PolarHBondContact O-N 3.11Å
532H73.2Confident76.4Confident124 Ų124117.1 Ų117.157%0.57454%0.536SS*.Hα-helixtrans-67.1-44.1175.8-172.663.4000111.6M528 Q530 D534 K535 V536M528-H532 WeakPolarHBondContact O-CB 3.4Å; M528-H532 PolarHBondContact O-N 2.9Å; Q530-H532 VanDerWaalsContact C-N 3.28Å; Q530-H532 PolarHBondContact O-N 2.96Å; H532-D534 VanDerWaalsContact C-N 3.34Å; H532-D534 PolarHBondContact O-N 3.15Å; H532-K535 PolarHBondContact O-N 3.38Å; H532-V536 VanDerWaalsContact O-CG2 3.3Å; H532-V536 WeakPolarHBondContact O-CG2 3.32Å; H532-V536 PolarHBondContact O-N 2.99Å
533R74.7Confident76.7Confident184 Ų184115.4 Ų115.469%0.69453%0.531SS*.Hα-helixtrans-62.4-40.2175.2-76.9173.2-177.8-170.30.4112.4D529 Q530 V536 R537D529-R533 WeakPolarHBondContact O-CB 3.48Å; D529-R533 WeakPolarHBondContact O-CG 2.95Å; D529-R533 PolarHBondContact O-N 3.26Å; Q530-R533 PolarHBondContact O-N 3.2Å; Q530-R533 VanDerWaalsContact O-N 3.14Å; R533-V536 PolarHBondContact O-N 2.89Å; R533-R537 WeakPolarHBondContact O-CB 3.37Å; R533-R537 PolarHBondContact O-N 3.16Å
534D78.4Confident77Confident84 Ų84111.5 Ų111.545%0.44952%0.521SS..Hα-helixtrans-67.8-39.2178.5-68.8-24.4000111.2Q530 H532 R537 Q538Q530-D534 WeakPolarHBondContact O-CB 3.36Å; Q530-D534 VanDerWaalsContact O-CG 3.27Å; Q530-D534 PolarHBondContact O-N 3.34Å; H532-D534 VanDerWaalsContact C-N 3.34Å; H532-D534 PolarHBondContact O-N 3.15Å; D534-R537 PolarHBondContact O-N 3.2Å; D534-Q538 WeakPolarHBondContact O-CB 3.46Å; D534-Q538 VanDerWaalsContact O-CG 3.28Å; D534-Q538 WeakPolarHBondContact O-CG 3.28Å; D534-Q538 PolarHBondContact O-N 2.94Å
535K82.3Confident77.3Confident133 Ų133110.5 Ų110.558%0.57852%0.518SS*.Hα-helixtrans-63-43.9171.6-74.8172.7-174.41740112.3E531 H532 R537 Q538 S539E531-K535 WeakPolarHBondContact O-CB 3.25Å; E531-K535 VanDerWaalsContact O-CG 3.28Å; E531-K535 WeakPolarHBondContact O-CG 3.48Å; E531-K535 PolarHBondContact O-N 3.11Å; H532-K535 PolarHBondContact O-N 3.38Å; K535-R537 VanDerWaalsContact C-N 3.33Å; K535-Q538 PolarHBondContact O-N 3.35Å; K535-S539 WeakPolarHBondContact O-CB 3.45Å; K535-S539 PolarHBondContact O-N 3.06Å
536V78.9Confident77.4Confident61 Ų61110.4 Ų110.437%0.3752%0.518SS..Hα-helixtrans-61.8-44.1175.9170.70000110.2H532 R533 S539 L540H532-V536 VanDerWaalsContact O-CG2 3.3Å; H532-V536 WeakPolarHBondContact O-CG2 3.32Å; H532-V536 PolarHBondContact O-N 2.99Å; R533-V536 PolarHBondContact O-N 2.89Å; V536-S539 PolarHBondContact O-N 3.13Å; V536-S539 PolarHBondContact O-OG 3.02Å; V536-L540 HydrophobicContact CG1-CD1 3.92Å; V536-L540 PolarHBondContact O-N 3.07Å
537R81.9Confident77.3Confident159 Ų159110.1 Ų110.160%0.652%0.517SS*.Hα-helixtrans-62.8-45.1176.9-171.9178176.8168.45.6112.4R533 D534 K535 S539 L540 E541R533-R537 WeakPolarHBondContact O-CB 3.37Å; R533-R537 PolarHBondContact O-N 3.16Å; D534-R537 PolarHBondContact O-N 3.2Å; K535-R537 VanDerWaalsContact C-N 3.33Å; R537-S539 VanDerWaalsContact C-N 3.32Å; R537-S539 PolarHBondContact O-N 3.47Å; R537-L540 PolarHBondContact O-N 3.47Å; R537-E541 IonicContact NE-OE1 3.56Å; R537-E541 PolarHBondContact NE-OE1 3.04Å; R537-E541 WeakPolarHBondContact O-CB 3.2Å; R537-E541 WeakPolarHBondContact O-CG 3.42Å; R537-E541 PolarHBondContact O-N 2.94Å
538Q83.8Confident77.2Confident114 Ų114114.4 Ų114.453%0.53353%0.53SS..Hα-helixtrans-61.2-40.3174.5-74.71756.500111.7D534 K535 E541 Q542D534-Q538 WeakPolarHBondContact O-CB 3.46Å; D534-Q538 VanDerWaalsContact O-CG 3.28Å; D534-Q538 WeakPolarHBondContact O-CG 3.28Å; D534-Q538 PolarHBondContact O-N 2.94Å; K535-Q538 PolarHBondContact O-N 3.35Å; Q538-E541 PolarHBondContact O-N 3.11Å; Q538-Q542 WeakPolarHBondContact O-CB 3.36Å; Q538-Q542 VanDerWaalsContact O-CG 3.25Å; Q538-Q542 WeakPolarHBondContact O-CG 3.49Å; Q538-Q542 PolarHBondContact O-N 2.8Å
539S84Confident77.3Confident51 Ų51114.8 Ų114.836%0.35753%0.53SS..Hα-helixtrans-65.6-38.2176.475.80000112.5K535 V536 R537 Q543K535-S539 WeakPolarHBondContact O-CB 3.45Å; K535-S539 PolarHBondContact O-N 3.06Å; V536-S539 PolarHBondContact O-N 3.13Å; V536-S539 PolarHBondContact O-OG 3.02Å; R537-S539 VanDerWaalsContact C-N 3.32Å; R537-S539 PolarHBondContact O-N 3.47Å; S539-Q543 WeakPolarHBondContact O-CB 3.23Å; S539-Q543 WeakPolarHBondContact O-CG 3.43Å; S539-Q543 PolarHBondContact O-N 2.71Å
540L84.6Confident76.7Confident86 Ų86115.1 Ų115.145%0.4553%0.532SS..Hα-helixtrans-68-43175-81.3160.6000111.7V536 R537 Q543 Q544V536-L540 HydrophobicContact CG1-CD1 3.92Å; V536-L540 PolarHBondContact O-N 3.07Å; R537-L540 PolarHBondContact O-N 3.47Å; L540-Q543 PolarHBondContact O-N 3.16Å; L540-Q544 WeakPolarHBondContact O-CB 3.44Å; L540-Q544 WeakPolarHBondContact O-CG 3.45Å; L540-Q544 PolarHBondContact O-N 3.37Å
541E83.9Confident76Confident87 Ų87117.5 Ų117.541%0.40755%0.545SS..Hα-helixtrans-64.3-40.3175.7-76.6173.8-170.500111.3R537 Q538 Q544 Q545R537-E541 IonicContact NE-OE1 3.56Å; R537-E541 PolarHBondContact NE-OE1 3.04Å; R537-E541 WeakPolarHBondContact O-CB 3.2Å; R537-E541 WeakPolarHBondContact O-CG 3.42Å; R537-E541 PolarHBondContact O-N 2.94Å; Q538-E541 PolarHBondContact O-N 3.11Å; E541-Q544 PolarHBondContact O-N 2.68Å; E541-Q545 WeakPolarHBondContact O-CB 3.44Å; E541-Q545 WeakPolarHBondContact O-CG 3.02Å; E541-Q545 PolarHBondContact O-N 2.95Å
542Q80.3Confident75.4Confident118 Ų118117.1 Ų117.155%0.55156%0.558SS**Hα-helixtrans-63.6-40.8172.3-74.9175.97.400112.2Q538 Q545 K546Q538-Q542 WeakPolarHBondContact O-CB 3.36Å; Q538-Q542 VanDerWaalsContact O-CG 3.25Å; Q538-Q542 WeakPolarHBondContact O-CG 3.49Å; Q538-Q542 PolarHBondContact O-N 2.8Å; Q542-Q545 PolarHBondContact O-N 3.22Å; Q542-K546 WeakPolarHBondContact O-CB 3.35Å; Q542-K546 WeakPolarHBondContact O-CG 3.3Å; Q542-K546 PolarHBondContact O-N 2.71Å
543Q77.9Confident74.4Confident115 Ų115118.2 Ų118.254%0.53756%0.561SS.*Hα-helixtrans-64.8-39.8173.6-78.4-177.84.300111.9S539 L540 K546 K547S539-Q543 WeakPolarHBondContact O-CB 3.23Å; S539-Q543 WeakPolarHBondContact O-CG 3.43Å; S539-Q543 PolarHBondContact O-N 2.71Å; L540-Q543 PolarHBondContact O-N 3.16Å; Q543-K546 PolarHBondContact O-N 2.99Å; Q543-K547 WeakPolarHBondContact O-CB 3.42Å; Q543-K547 WeakPolarHBondContact O-CG 3.37Å; Q543-K547 PolarHBondContact O-N 3.11Å
544Q78.6Confident73.2Confident112 Ų112115.4 Ų115.452%0.52357%0.565SS.*Hα-helixtrans-69.3-38.1176.5-75.3-177.74.800112.1L540 E541 K547 K548L540-Q544 WeakPolarHBondContact O-CB 3.44Å; L540-Q544 WeakPolarHBondContact O-CG 3.45Å; L540-Q544 PolarHBondContact O-N 3.37Å; E541-Q544 PolarHBondContact O-N 2.68Å; Q544-K547 PolarHBondContact O-N 2.94Å; Q544-K548 WeakPolarHBondContact O-CB 3.46Å; Q544-K548 WeakPolarHBondContact O-CG 3.29Å; Q544-K548 PolarHBondContact O-N 3.15Å
545Q77.3Confident71.7Confident121 Ų121117.9 Ų117.957%0.56559%0.585SS**Hα-helixtrans-66.7-41.3173.6-77.4179.7-4.200111.4E541 Q542 K548 Q549E541-Q545 WeakPolarHBondContact O-CB 3.44Å; E541-Q545 WeakPolarHBondContact O-CG 3.02Å; E541-Q545 PolarHBondContact O-N 2.95Å; Q542-Q545 PolarHBondContact O-N 3.22Å; Q545-K548 PolarHBondContact O-N 3.43Å; Q545-Q549 WeakPolarHBondContact O-CB 3.48Å; Q545-Q549 WeakPolarHBondContact O-CG 3.47Å; Q545-Q549 PolarHBondContact O-N 3.1Å
546K74.9Confident70.3Confident137 Ų137115 Ų11560%0.59659%0.594SS**Hα-helixtrans-58.8-48170.3-79.5-178.8177.6-178.10111.3Q542 Q543 K548 Q549 D550Q542-K546 WeakPolarHBondContact O-CB 3.35Å; Q542-K546 WeakPolarHBondContact O-CG 3.3Å; Q542-K546 PolarHBondContact O-N 2.71Å; Q543-K546 PolarHBondContact O-N 2.99Å; K546-K548 VanDerWaalsContact C-N 3.33Å; K546-K548 PolarHBondContact O-N 3.03Å; K546-Q549 CarbonylContact O-C 3.5Å; K546-Q549 PolarHBondContact O-N 3.14Å; K546-D550 WeakPolarHBondContact O-CB 3.46Å; K546-D550 VanDerWaalsContact O-CG 3.29Å; K546-D550 PolarHBondContact O-N 3.23Å
547K71.2Confident68.8Low142 Ų142116.7 Ų116.762%0.61761%0.614SS**Hα-helixtrans-59.9-40.5174.7-77.4-176.6178.6-175.60112.5Q543 Q544 D550 M551Q543-K547 WeakPolarHBondContact O-CB 3.42Å; Q543-K547 WeakPolarHBondContact O-CG 3.37Å; Q543-K547 PolarHBondContact O-N 3.11Å; Q544-K547 PolarHBondContact O-N 2.94Å; K547-D550 PolarHBondContact O-N 2.86Å; K547-M551 WeakPolarHBondContact O-CB 3.43Å; K547-M551 VanDerWaalsContact O-CG 3.26Å; K547-M551 WeakPolarHBondContact O-CG 3.43Å; K547-M551 PolarHBondContact O-N 3.22Å
548K73.5Confident67.6Low153 Ų153120.5 Ų120.567%0.66563%0.628SS**Hα-helixtrans-68.1-37175.5-77.9-178.2178.2-177.20112.2Q544 Q545 K546 M551 A552Q544-K548 WeakPolarHBondContact O-CB 3.46Å; Q544-K548 WeakPolarHBondContact O-CG 3.29Å; Q544-K548 PolarHBondContact O-N 3.15Å; Q545-K548 PolarHBondContact O-N 3.43Å; K546-K548 VanDerWaalsContact C-N 3.33Å; K546-K548 PolarHBondContact O-N 3.03Å; K548-M551 PolarHBondContact O-N 2.89Å; K548-A552 WeakPolarHBondContact O-CB 3.41Å; K548-A552 PolarHBondContact O-N 3.03Å
549Q65.3Low66.4Low128 Ų128120.4 Ų120.460%0.59864%0.638SS**Hα-helixtrans-68.1-37.2172.7-76.5178.8-4.700111.7Q545 K546 A552 K553Q545-Q549 WeakPolarHBondContact O-CB 3.48Å; Q545-Q549 WeakPolarHBondContact O-CG 3.47Å; Q545-Q549 PolarHBondContact O-N 3.1Å; K546-Q549 CarbonylContact O-C 3.5Å; K546-Q549 PolarHBondContact O-N 3.14Å; Q549-A552 PolarHBondContact O-N 3.39Å; Q549-K553 WeakPolarHBondContact O-CG 3.36Å; Q549-K553 PolarHBondContact O-N 3.05Å; Q549-K553 VanDerWaalsContact O-N 3.09Å
550D62.4Low65.6Low101 Ų101121.2 Ų121.254%0.5464%0.643SS.*Hα-helixtrans-71.7-32.6174.8-70.8-26.6000111.9K546 K547 K553K546-D550 WeakPolarHBondContact O-CB 3.46Å; K546-D550 VanDerWaalsContact O-CG 3.29Å; K546-D550 PolarHBondContact O-N 3.23Å; K547-D550 PolarHBondContact O-N 2.86Å; D550-K553 IonicContact OD1-NZ 3.73Å
551M56.8Low64.3Low166 Ų166121 Ų12182%0.81865%0.654SS**Hα-helixtrans-79.4-27.6172.8-72.1-169.982.100113.4K547 K548 K553K547-M551 WeakPolarHBondContact O-CB 3.43Å; K547-M551 VanDerWaalsContact O-CG 3.26Å; K547-M551 WeakPolarHBondContact O-CG 3.43Å; K547-M551 PolarHBondContact O-N 3.22Å; K548-M551 PolarHBondContact O-N 2.89Å; M551-K553 VanDerWaalsContact C-N 3.29Å
552A58.9Low63.1Low84 Ų84122.9 Ų122.969%0.69467%0.666SS**Hα-helixtrans-79-13.5173.100000112.6K548 Q549 T554K548-A552 WeakPolarHBondContact O-CB 3.41Å; K548-A552 PolarHBondContact O-N 3.03Å; Q549-A552 PolarHBondContact O-N 3.39Å; A552-T554 PolarHBondContact O-N 3.48Å
553K53.8Low62Low146 Ų146122.5 Ų122.564%0.63567%0.668SS**SBendtrans-74.3112.9163.9-77.5171.5-175.3167.50108.6Q549 D550 M551Q549-K553 WeakPolarHBondContact O-CG 3.36Å; Q549-K553 PolarHBondContact O-N 3.05Å; Q549-K553 VanDerWaalsContact O-N 3.09Å; D550-K553 IonicContact OD1-NZ 3.73Å; M551-K553 VanDerWaalsContact C-N 3.29Å
554T48.2Very low60.9Low126 Ų126128 Ų12877%0.77368%0.683SS**  trans-57.6136.3174.1-17.20000110.1A552 G556A552-T554 PolarHBondContact O-N 3.48Å; T554-G556 VanDerWaalsContact C-N 3.3Å; T554-G556 PolarHBondContact O-N 3.48Å
555P47.4Very low59.8Low135 Ų135130.8 Ų130.888%0.87769%0.694SS**SBendtrans-75.285.6176.130.6-31.6000108.8
556G52.5Low58.7Low74 Ų74130.2 Ų130.276%0.76370%0.699SS**  trans-178.648.6-172.300000115.4T554T554-G556 VanDerWaalsContact C-N 3.3Å; T554-G556 PolarHBondContact O-N 3.48Å
557A48.5Very low57.4Low96 Ų96135.1 Ų135.179%0.79371%0.714SS**  trans-132.9120.2159.800000108.5
558R56.3Low55.9Low239 Ų239140 Ų14090%0.90273%0.728SS**PPolyproline II helixtrans-57.5141.5174.4-69.3177.9177.3175.2-1.1108.7S560R558-S560 PolarHBondContact O-N 3.14Å; R558-S560 VanDerWaalsContact O-N 3.17Å
559P57.4Low54.4Low112 Ų112137.2 Ų137.273%0.72773%0.733SS**PPolyproline II helixtrans-55.8125.3175.522.3-31.2000109.3
560S67.9Low52.9Low67 Ų67143 Ų14347%0.46975%0.75SS.*PPolyproline II helixtrans-65143.2173.4166.80000109R558 L562 D563R558-S560 PolarHBondContact O-N 3.14Å; R558-S560 VanDerWaalsContact O-N 3.17Å; S560-L562 PolarHBondContact O-N 3.14Å; S560-L562 PolarHBondContact OG-N 2.85Å; S560-D563 PolarHBondContact O-N 2.91Å
561A57.2Low51.8Low83 Ų83147.4 Ų147.469%0.68677%0.767SS**G310 helixtrans-55.9-17.1178.500000113.7
562L59.3Low50.8Low126 Ų126143 Ų14366%0.6676%0.764SS**G310 helixtrans-77.9-20.3176.1-78.5156.3000114.5S560 R564 F565S560-L562 PolarHBondContact O-N 3.14Å; S560-L562 PolarHBondContact OG-N 2.85Å; L562-R564 PolarHBondContact O-N 3.37Å; L562-R564 VanDerWaalsContact O-N 3.16Å; L562-F565 PolarHBondContact O-N 2.81Å; L562-F565 VanDerWaalsContact O-N 3.09Å
563D56.7Low49.7Very low109 Ų109142.6 Ų142.658%0.58377%0.768SS**G310 helixtrans-68.6-11.4177-84.4-23.3000112.9S560 F565S560-D563 PolarHBondContact O-N 2.91Å; D563-F565 VanDerWaalsContact C-N 3.29Å
564R55.7Low48.8Very low230 Ų230143.7 Ų143.787%0.86878%0.78SS**G310 helixtrans-76.2-13.4172-72.7-177.2176.2176.3-0.8113.8L562L562-R564 PolarHBondContact O-N 3.37Å; L562-R564 VanDerWaalsContact O-N 3.16Å
565F54.6Low48Very low171 Ų171145.4 Ų145.475%0.7578%0.779SS**SBendtrans-101.1-4.4-179.1-69.1-78.6000113.8L562 D563 R567L562-F565 PolarHBondContact O-N 2.81Å; L562-F565 VanDerWaalsContact O-N 3.09Å; D563-F565 VanDerWaalsContact C-N 3.29Å; F565-R567 PolarHBondContact O-N 2.94Å
566V54.1Low47.7Very low109 Ų109145.3 Ų145.366%0.66178%0.776SS**  trans-82104.8178.2-175.70000109.7R568V566-R568 PolarHBondContact O-N 3.15Å; V566-R568 VanDerWaalsContact O-N 3.13Å
567R47Very low47Very low240 Ų240147.5 Ų147.591%0.90677%0.77SS**  trans-57.5114.6172.8-84-179.7172.7171.4-1.7110F565 A569F565-R567 PolarHBondContact O-N 2.94Å; R567-A569 PolarHBondContact O-N 3.08Å; R567-A569 VanDerWaalsContact O-N 3.07Å
568R40.8Very low47.5Very low246 Ų246152.3 Ų152.393%0.92879%0.793SS**  trans-59.1107.8166.4-87.3-178.3172.5179.5-3109.5V566 R570V566-R568 PolarHBondContact O-N 3.15Å; V566-R568 VanDerWaalsContact O-N 3.13Å; R568-R570 PolarHBondContact O-N 2.96Å
569A40.5Very low47.1Very low93 Ų93148 Ų14877%0.76979%0.788SS**  trans-70.4117.7162.500000108.3R567 E571R567-A569 PolarHBondContact O-N 3.08Å; R567-A569 VanDerWaalsContact O-N 3.07Å; A569-E571 PolarHBondContact O-N 2.77Å
570R34.9Very low46.5Very low250 Ų250149.9 Ų149.994%0.94379%0.791SS**  trans-66.7106.8169.4-83175.7166.8168.3-4.8108.4R568 G572R568-R570 PolarHBondContact O-N 2.96Å; R570-G572 PolarHBondContact O-N 2.95Å
571E38.1Very low45.4Very low194 Ų194154.5 Ų154.591%0.90781%0.809SS**  trans-8797.1159.4-74.4-175.3168.300108.1A569 G573A569-E571 PolarHBondContact O-N 2.77Å; E571-G573 PolarHBondContact O-N 2.82Å
572G37.2Very low44.7Very low73 Ų73158.7 Ų158.775%0.75382%0.816SS**  trans-80.4101.2167.400000109.5R570R570-G572 PolarHBondContact O-N 2.95Å
573G34.8Very low43.7Very low76 Ų76160.8 Ų160.878%0.78483%0.826SS**  trans-83.3110.6164.400000109.4E571 Q575E571-G573 PolarHBondContact O-N 2.82Å; G573-Q575 PolarHBondContact O-N 3.44Å
574L35.2Very low42.9Very low168 Ų168164.2 Ų164.288%0.8884%0.842SS**  trans-66.1121.9164.8-102.492.8000108.8
575Q32.4Very low42Very low162 Ų162159.5 Ų159.576%0.75784%0.841SS**  trans-75.7123.8168.7-166.6166.9-9.700108.3G573G573-Q575 PolarHBondContact O-N 3.44Å
576V40.4Very low41Very low133 Ų133158.6 Ų158.681%0.80685%0.848SS**  trans-110.1108.3167-176.70000105.5
577D37.3Very low39.9Very low120 Ų120162.8 Ų162.864%0.64286%0.863SS**  trans-78.9156.7170.7-78.7-22.2000109.9
578P60Low39.3Very low198 Ų198155.7 Ų155.7100%1.28686%0.859SS**  trans-73.80-155.528.6-36.6000117.3

Retrieved 578 of 578 residues in 453.7 ms (Link to these results)