A0A2K6DR45_MACNE Loading...

Fibroblast growth factor

AlphaFold DB , UniProt , Accession A0A2K6DR45, Species MACNE (Macaca nemestrina, Pig-tailed macaque), Gene FGF4, Length 206 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
1M41.6Very low40.1Very low248 Ų248124.1 Ų124.1100%1.22287%0.87SS**  0105.20-70.5165.376.500107.2
2S38.6Very low40.1Very low132 Ų132127.7 Ų127.792%0.92387%0.87SS**  trans-79.9137.7-179.3260000110.5
3G37.8Very low40.3Very low68 Ų68127.8 Ų127.870%0.70187%0.868SS**  trans-148139.8169.700000109.2
4P46Very low40.2Very low129 Ų129124.6 Ų124.684%0.83886%0.855SS**  trans-90.6130.8-155.134-31.7000112.9
5G38.1Very low40.3Very low79 Ų79124.8 Ų124.881%0.81485%0.849SS**  trans-90.5110.9165.500000109.9A7G5-A7 PolarHBondContact O-N 3.02Å
6T44.2Very low40.2Very low141 Ų141128.1 Ų128.187%0.86585%0.854SS**  trans-60.7126176.441.80000112
7A37.9Very low40.3Very low105 Ų105130.4 Ų130.487%0.86886%0.855SS**  trans-73.2126.7169.400000110.5G5G5-A7 PolarHBondContact O-N 3.02Å
8A39.2Very low40.1Very low101 Ų101127.4 Ų127.484%0.83584%0.844SS**  trans-112.4105165.300000108.4A10A8-A10 PolarHBondContact O-N 3.2Å
9A38.7Very low40.1Very low93 Ų93129.2 Ų129.277%0.76984%0.844SS**  trans-71.5119171.200000109.4
10A39Very low40.1Very low107 Ų107131.4 Ų131.488%0.88485%0.846SS**  trans-94.9106.4170.100000108.9A8A8-A10 PolarHBondContact O-N 3.2Å
11L40.1Very low40.2Very low162 Ų162129.9 Ų129.985%0.84885%0.846SS**  trans-69.6140.3180-71.4146.8000111.5
12L40.7Very low40.3Very low167 Ų167124.2 Ų124.287%0.87483%0.827SS**  trans-59.2140.1163.4-65.7159.8000110.5
13P42.2Very low40.5Very low130 Ų130129.8 Ų129.884%0.84483%0.828SS**  trans-97.797.7161.828.4-16.4000109.8
14A39Very low40.6Very low83 Ų83131.2 Ų131.269%0.68683%0.834SS**  trans-81.7157.8149.400000109
15V41.8Very low40Very low127 Ų127128.6 Ų128.677%0.7783%0.83SS**  trans90105164.7-165.90000116.5
16L38.3Very low40Very low177 Ų177137.3 Ų137.393%0.92784%0.838SS**  -14299.9124.3-144.583.1000109.4
17L41.4Very low39.4Very low167 Ų167134.2 Ų134.287%0.87484%0.835SS**  trans-125.7104.2175.8-138.1161.2000106.2
18A37Very low39.7Very low78 Ų78133.4 Ų133.465%0.64584%0.836SS**  trans169.8129.4175.300000105.6
19L40.8Very low39.5Very low161 Ų161133.4 Ų133.484%0.84384%0.836SS**  cis-162.1146.418.6-80.3131.5000105
20L40.7Very low39.6Very low172 Ų172133.8 Ų133.890%0.90184%0.84SS**  trans-179.592.6138.7-86.2-163.3000107.7
21A41.3Very low39.5Very low101 Ų101133 Ų13384%0.83583%0.833SS**PPolyproline II helixtrans-90130.3159.700000108.3
22P44Very low39.5Very low128 Ų128131.1 Ų131.183%0.83183%0.83SS**PPolyproline II helixtrans-92.1133.1166.7-4.723.5000111.6
23W41.6Very low39.8Very low250 Ų250130 Ų13095%0.94783%0.831SS**PPolyproline II helixtrans-48.2135169.9-146.7-41.3000112.7G25W23-G25 PolarHBondContact O-N 2.77Å
24A40Very low40Very low98 Ų98127.6 Ų127.681%0.8182%0.822SS**PPolyproline II helixtrans-71.8118.5165.400000110.4
25G34.2Very low40.3Very low74 Ų74128.3 Ų128.376%0.76382%0.819SS**  trans-140.4121.1170.600000110.1W23W23-G25 PolarHBondContact O-N 2.77Å
26R37.8Very low40.9Very low262 Ų262128.9 Ų128.999%0.98982%0.818SS**  trans-55.9138.6179.1-84.7170.7159.1-136.9-1.7113
27G32Very low41.6Very low76 Ų76123 Ų12378%0.78480%0.8SS**  trans165.5110160.500000110.9
28G43.1Very low42.5Very low88 Ų88118.8 Ų118.891%0.90778%0.782SS**  trans-73.3134.6-174.400000113.6
29A36.4Very low43.7Very low100 Ų100120.2 Ų120.283%0.82678%0.778SS**  trans-159137.5151.800000107.8
30A39.3Very low44.6Very low102 Ų102118 Ų11884%0.84376%0.763SS**PPolyproline II helixtrans-56.7133.9-171.700000113
31A38.2Very low45.8Very low90 Ų90112 Ų11274%0.74474%0.738SS**PPolyproline II helixtrans-70.8128.3172.900000110.2T33A31-T33 PolarHBondContact O-N 3.41Å
32P40.5Very low47.4Very low123 Ų123110.9 Ų110.980%0.79972%0.715SS**PPolyproline II helixtrans-76.3116.1168.729.9-28.4000108.4A34P32-A34 PolarHBondContact O-N 3.41Å
33T46.5Very low48.6Very low143 Ų143109 Ų10988%0.87770%0.698SS**  trans-69.396.3167.838.30000109.2A31A31-T33 PolarHBondContact O-N 3.41Å
34A47Very low49.8Very low80 Ų80102 Ų10266%0.66168%0.676SS**  trans-75.3143167.700000110.2P32 N36P32-A34 PolarHBondContact O-N 3.41Å; A34-N36 PolarHBondContact O-N 3.25Å
35P44.7Very low51.3Low97 Ų97104.1 Ų104.163%0.6366%0.663SS**  trans-71.2131.4-178.728.7-32.5000110.5G37 T38P35-G37 PolarHBondContact O-N 3.2Å; P35-T38 HydrophobicContact CG-CG2 4.48Å; P35-T38 PolarHBondContact O-N 3.06Å; P35-T38 PolarHBondContact O-OG1 3.21Å; P35-T38 VanDerWaalsContact O-OG1 3.05Å
36N53.3Low53.2Low140 Ų140107.7 Ų107.775%0.74965%0.653SS**THydrogen-bonded Turntrans-56.9-5-177.9-140.423.3000115A34A34-N36 PolarHBondContact O-N 3.25Å
37G53.8Low54.6Low53 Ų53103 Ų10355%0.54664%0.636SS.*Hα-helixtrans-83.9-13.4178.400000115.1P35 A41P35-G37 PolarHBondContact O-N 3.2Å; G37-A41 WeakPolarHBondContact O-CB 3.4Å
38T60.5Low56.5Low79 Ų79104.4 Ų104.449%0.48562%0.622SS.*Hα-helixtrans-84.3-36.8-177.349.30000113P35 E42P35-T38 HydrophobicContact CG-CG2 4.48Å; P35-T38 PolarHBondContact O-N 3.06Å; P35-T38 PolarHBondContact O-OG1 3.21Å; P35-T38 VanDerWaalsContact O-OG1 3.05Å; T38-E42 WeakPolarHBondContact O-CB 3.48Å; T38-E42 PolarHBondContact O-N 2.94Å
39L62.1Low58.1Low107 Ų107103.2 Ų103.256%0.5660%0.6SS**Hα-helixtrans-70.6-44.8-179.3-159.183.8000111.9E42 L43L39-E42 PolarHBondContact O-N 3.43Å; L39-E42 VanDerWaalsContact O-N 3.16Å; L39-L43 HydrophobicContact CG-CD1 4.45Å; L39-L43 WeakPolarHBondContact O-CG 3.41Å; L39-L43 PolarHBondContact O-N 3.03Å
40E60.7Low59.9Low116 Ų116103.9 Ų103.954%0.54259%0.589SS.*Hα-helixtrans-62.1-43.1175.6-67.3-62.5154.400111.4E42 L43 E44E40-E42 VanDerWaalsContact C-N 3.26Å; E40-E42 PolarHBondContact O-N 3.37Å; E40-L43 PolarHBondContact O-N 3.34Å; E40-E44 WeakPolarHBondContact O-CB 3.45Å; E40-E44 PolarHBondContact O-N 3.4Å
41A64.3Low61.5Low44 Ų44101.2 Ų101.236%0.36456%0.562SS.*Hα-helixtrans-65.2-30.2175.400000112.6G37 R45G37-A41 WeakPolarHBondContact O-CB 3.4Å; A41-R45 WeakPolarHBondContact O-CB 3.21Å; A41-R45 VanDerWaalsContact O-CG 3.23Å; A41-R45 WeakPolarHBondContact O-CG 3.49Å; A41-R45 PolarHBondContact O-N 3.17Å; A41-R45 PolarHBondContact O-NE 3.13Å
42E75.7Confident63.2Low78 Ų7899.7 Ų99.736%0.36455%0.549SS..Hα-helixtrans-77.1-37.1174.6-157.3174.9154.400112.6T38 L39 E40 R45 R46T38-E42 WeakPolarHBondContact O-CB 3.48Å; T38-E42 PolarHBondContact O-N 2.94Å; L39-E42 PolarHBondContact O-N 3.43Å; L39-E42 VanDerWaalsContact O-N 3.16Å; E40-E42 VanDerWaalsContact C-N 3.26Å; E40-E42 PolarHBondContact O-N 3.37Å; E42-R45 PolarHBondContact O-N 3.46Å; E42-R46 WeakPolarHBondContact O-CB 3.39Å; E42-R46 WeakPolarHBondContact O-CG 3.3Å; E42-R46 PolarHBondContact O-N 2.72Å; E42-R46 IonicContact OE1-CZ 3.5Å; E42-R46 IonicContact OE1-NE 3.51Å; E42-R46 IonicContact OE1-NH2 2.75Å; E42-R46 PolarHBondContact OE1-NH2 2.97Å
43L68.8Low64.9Low89 Ų89102.2 Ų102.247%0.46654%0.543SS..Hα-helixtrans-63-43.7172.3-74.6165.6000111.2L39 E40 R46 W47L39-L43 HydrophobicContact CG-CD1 4.45Å; L39-L43 WeakPolarHBondContact O-CG 3.41Å; L39-L43 PolarHBondContact O-N 3.03Å; E40-L43 PolarHBondContact O-N 3.34Å; L43-R46 PolarHBondContact O-N 2.65Å; L43-W47 WeakPolarHBondContact O-CB 3.35Å; L43-W47 PolarHBondContact O-N 2.88Å
44E67.3Low66.1Low104 Ų10498.5 Ų98.549%0.48652%0.523SS..Hα-helixtrans-63.2-46.9177.3-161.964.4-157.400111.1E40 R46 W47 E48E40-E44 WeakPolarHBondContact O-CB 3.45Å; E40-E44 PolarHBondContact O-N 3.4Å; E44-R46 VanDerWaalsContact C-N 3.31Å; E44-R46 PolarHBondContact O-N 3.07Å; E44-W47 WeakPolarHBondContact O-CB 3.29Å; E44-W47 PolarHBondContact O-N 2.9Å; E44-W47 VanDerWaalsContact O-N 3.12Å; E44-E48 WeakPolarHBondContact O-CB 3.4Å; E44-E48 WeakPolarHBondContact O-CG 3.47Å; E44-E48 PolarHBondContact O-N 3.05Å
45R72.2Confident67.3Low142 Ų14297.3 Ų97.354%0.53651%0.505SS..Hα-helixtrans-61.2-38.7176.2-75.6177.8-64.5-171.95.9112.7A41 E42 S49A41-R45 WeakPolarHBondContact O-CB 3.21Å; A41-R45 VanDerWaalsContact O-CG 3.23Å; A41-R45 WeakPolarHBondContact O-CG 3.49Å; A41-R45 PolarHBondContact O-N 3.17Å; A41-R45 PolarHBondContact O-NE 3.13Å; E42-R45 PolarHBondContact O-N 3.46Å; R45-S49 WeakPolarHBondContact O-CB 3.35Å; R45-S49 PolarHBondContact O-N 2.8Å; R45-S49 VanDerWaalsContact O-N 3.08Å; R45-S49 PolarHBondContact O-OG 3.08Å
46R73.4Confident68.7Low149 Ų14996.1 Ų96.156%0.56250%0.503SS*.Hα-helixtrans-67.2-41.2175.5-74.9173.2-175.8-1555.6110.7E42 L43 E44 S49 L50E42-R46 WeakPolarHBondContact O-CB 3.39Å; E42-R46 WeakPolarHBondContact O-CG 3.3Å; E42-R46 PolarHBondContact O-N 2.72Å; E42-R46 IonicContact OE1-CZ 3.5Å; E42-R46 IonicContact OE1-NE 3.51Å; E42-R46 IonicContact OE1-NH2 2.75Å; E42-R46 PolarHBondContact OE1-NH2 2.97Å; L43-R46 PolarHBondContact O-N 2.65Å; E44-R46 VanDerWaalsContact C-N 3.31Å; E44-R46 PolarHBondContact O-N 3.07Å; R46-S49 PolarHBondContact O-N 3.42Å; R46-L50 VanDerWaalsContact O-CG 3.29Å; R46-L50 WeakPolarHBondContact O-CG 3.35Å; R46-L50 PolarHBondContact O-N 3.5Å
47W67.9Low69.8Low163 Ų16399.8 Ų99.862%0.61751%0.507SS*.Hα-helixtrans-63.4-50.7176.6-179.2-112.4000111.8L43 E44 S49 L50 V51L43-W47 WeakPolarHBondContact O-CB 3.35Å; L43-W47 PolarHBondContact O-N 2.88Å; E44-W47 WeakPolarHBondContact O-CB 3.29Å; E44-W47 PolarHBondContact O-N 2.9Å; E44-W47 VanDerWaalsContact O-N 3.12Å; W47-S49 VanDerWaalsContact C-N 3.27Å; W47-S49 PolarHBondContact O-N 3.42Å; W47-L50 PolarHBondContact O-N 3.48Å; W47-L50 VanDerWaalsContact O-N 3.09Å; W47-V51 HydrophobicContact CD2-CG2 4.16Å; W47-V51 HydrophobicContact CG-CG2 4.47Å; W47-V51 HydrophobicContact CZ2-CG2 4.06Å; W47-V51 WeakPolarHBondContact O-CG2 3.43Å; W47-V51 PolarHBondContact O-N 3.09Å
48E71.1Confident70.7Confident106 Ų106100.9 Ų100.950%0.49550%0.499SS..Hα-helixtrans-54.9-43175.1-72.6177.9160.400111.7E44 L50 V51 A52E44-E48 WeakPolarHBondContact O-CB 3.4Å; E44-E48 WeakPolarHBondContact O-CG 3.47Å; E44-E48 PolarHBondContact O-N 3.05Å; E48-L50 PolarHBondContact O-N 3.49Å; E48-V51 PolarHBondContact O-N 3.29Å; E48-A52 VanDerWaalsContact O-CB 3.3Å; E48-A52 WeakPolarHBondContact O-CB 3.32Å; E48-A52 PolarHBondContact O-N 2.82Å
49S76.4Confident71.2Confident63 Ų63101.5 Ų101.544%0.44151%0.505SS..Hα-helixtrans-64.4-39.3177.9-64.40000113R45 R46 W47 R53R45-S49 WeakPolarHBondContact O-CB 3.35Å; R45-S49 PolarHBondContact O-N 2.8Å; R45-S49 VanDerWaalsContact O-N 3.08Å; R45-S49 PolarHBondContact O-OG 3.08Å; R46-S49 PolarHBondContact O-N 3.42Å; W47-S49 VanDerWaalsContact C-N 3.27Å; W47-S49 PolarHBondContact O-N 3.42Å; S49-R53 WeakPolarHBondContact O-CB 3.35Å; S49-R53 WeakPolarHBondContact O-CD 3.18Å; S49-R53 WeakPolarHBondContact O-CG 3.49Å; S49-R53 PolarHBondContact O-N 2.82Å; S49-R53 VanDerWaalsContact O-N 3.17Å
50L74.4Confident71.2Confident113 Ų113102.2 Ų102.259%0.59251%0.514SS*.Hα-helixtrans-71-42.4177.8-71.4170.2000111.2R46 W47 E48 R53 S54R46-L50 VanDerWaalsContact O-CG 3.29Å; R46-L50 WeakPolarHBondContact O-CG 3.35Å; R46-L50 PolarHBondContact O-N 3.5Å; W47-L50 PolarHBondContact O-N 3.48Å; W47-L50 VanDerWaalsContact O-N 3.09Å; E48-L50 PolarHBondContact O-N 3.49Å; L50-R53 PolarHBondContact O-N 3.34Å; L50-S54 WeakPolarHBondContact O-CB 3.23Å; L50-S54 PolarHBondContact O-N 2.95Å
51V73.6Confident71.2Confident46 Ų46101.9 Ų101.928%0.27953%0.53SS..Hα-helixtrans-61.9-49.4176.3172.90000110.3W47 E48 R53 S54 L55W47-V51 HydrophobicContact CD2-CG2 4.16Å; W47-V51 HydrophobicContact CG-CG2 4.47Å; W47-V51 HydrophobicContact CZ2-CG2 4.06Å; W47-V51 WeakPolarHBondContact O-CG2 3.43Å; W47-V51 PolarHBondContact O-N 3.09Å; E48-V51 PolarHBondContact O-N 3.29Å; V51-R53 VanDerWaalsContact C-N 3.32Å; V51-R53 PolarHBondContact O-N 3.29Å; V51-S54 PolarHBondContact O-N 2.75Å; V51-S54 VanDerWaalsContact O-N 3.07Å; V51-S54 PolarHBondContact O-OG 3.5Å; V51-L55 HydrophobicContact CG1-CD1 3.82Å; V51-L55 HydrophobicContact CG1-CG 4.3Å; V51-L55 WeakPolarHBondContact O-CG 3.46Å; V51-L55 PolarHBondContact O-N 3.19Å
52A72.3Confident71Confident59 Ų59102.4 Ų102.449%0.48854%0.535SS..Hα-helixtrans-57.6-43.617800000112.4E48 S54 L55 A56E48-A52 VanDerWaalsContact O-CB 3.3Å; E48-A52 WeakPolarHBondContact O-CB 3.32Å; E48-A52 PolarHBondContact O-N 2.82Å; A52-S54 VanDerWaalsContact C-N 3.33Å; A52-S54 PolarHBondContact O-N 3.12Å; A52-L55 PolarHBondContact O-N 3.1Å; A52-A56 WeakPolarHBondContact O-CB 3.35Å; A52-A56 PolarHBondContact O-N 2.8Å
53R77.4Confident69.9Low176 Ų176102.4 Ų102.466%0.66454%0.535SS*.Hα-helixtrans-65.8-34.5176.6-73.8173-176.5-147.91.2112.9S49 L50 V51 R57S49-R53 WeakPolarHBondContact O-CB 3.35Å; S49-R53 WeakPolarHBondContact O-CD 3.18Å; S49-R53 WeakPolarHBondContact O-CG 3.49Å; S49-R53 PolarHBondContact O-N 2.82Å; S49-R53 VanDerWaalsContact O-N 3.17Å; L50-R53 PolarHBondContact O-N 3.34Å; V51-R53 VanDerWaalsContact C-N 3.32Å; V51-R53 PolarHBondContact O-N 3.29Å; R53-R57 WeakPolarHBondContact O-CG 3.44Å
54S72.3Confident69.3Low64 Ų64102 Ų10245%0.44854%0.538SS..Hα-helixtrans-71-42.3177.476.50000111.7L50 V51 A52 R57L50-S54 WeakPolarHBondContact O-CB 3.23Å; L50-S54 PolarHBondContact O-N 2.95Å; V51-S54 PolarHBondContact O-N 2.75Å; V51-S54 VanDerWaalsContact O-N 3.07Å; V51-S54 PolarHBondContact O-OG 3.5Å; A52-S54 VanDerWaalsContact C-N 3.33Å; A52-S54 PolarHBondContact O-N 3.12Å; S54-R57 PolarHBondContact O-N 2.86Å
55L72.1Confident68.7Low55 Ų55106.4 Ų106.429%0.28856%0.555SS.*Hα-helixtrans-67.7-37.8179.4-68.9175.1000111.9V51 A52 R57 L58 P64V51-L55 HydrophobicContact CG1-CD1 3.82Å; V51-L55 HydrophobicContact CG1-CG 4.3Å; V51-L55 WeakPolarHBondContact O-CG 3.46Å; V51-L55 PolarHBondContact O-N 3.19Å; A52-L55 PolarHBondContact O-N 3.1Å; L55-R57 PolarHBondContact O-N 3.26Å; L55-R57 VanDerWaalsContact O-N 3.13Å; L55-L58 HydrophobicContact CD2-CD1 4.01Å; L55-L58 WeakPolarHBondContact O-CB 3.44Å; L55-L58 PolarHBondContact O-N 2.85Å; L55-P64 HydrophobicContact CD1-CG 4.45Å; L55-P64 HydrophobicContact CD2-CG 3.99Å
56A73.1Confident67.8Low72 Ų72109.7 Ų109.760%0.59558%0.577SS**THydrogen-bonded Turntrans-62.7-18.117600000113.8A52A52-A56 WeakPolarHBondContact O-CB 3.35Å; A52-A56 PolarHBondContact O-N 2.8Å
57R76.8Confident66.7Low218 Ų218106.7 Ų106.782%0.82358%0.583SS**THydrogen-bonded Turntrans-90.2-8.4177.4-67175.3-179.1-163-1.2113.4R53 S54 L55R53-R57 WeakPolarHBondContact O-CG 3.44Å; S54-R57 PolarHBondContact O-N 2.86Å; L55-R57 PolarHBondContact O-N 3.26Å; L55-R57 VanDerWaalsContact O-N 3.13Å
58L71.8Confident65.8Low75 Ų75102.5 Ų102.539%0.39358%0.584SS.*SBendtrans-80.3144.7176.2-64.7176.3000110.7L55 A62 Q63L55-L58 HydrophobicContact CD2-CD1 4.01Å; L55-L58 WeakPolarHBondContact O-CB 3.44Å; L55-L58 PolarHBondContact O-N 2.85Å; L58-A62 HydrophobicContact CB-CB 4.46Å; L58-Q63 HydrophobicContact CB-CG 4.23Å; L58-Q63 PolarHBondContact O-NE2 3.13Å
59P72Confident64.5Low92 Ų92103.7 Ų103.760%0.59760%0.598SS**  trans-59.8145.7172.124-30.7000110A61 A62 Q63P59-A61 PolarHBondContact O-N 2.76Å; P59-A62 HydrophobicContact CG-CB 3.99Å; P59-A62 CarbonylContact O-C 3.58Å; P59-A62 WeakPolarHBondContact O-CA 3.35Å; P59-A62 PolarHBondContact O-N 3.34Å; P59-Q63 PolarHBondContact O-N 3.16Å
60V62.3Low63.2Low123 Ų123108.7 Ų108.775%0.74561%0.614SS**G310 helixtrans-53.2-32.3-171.51750000113.6A62 Q63V60-A62 VanDerWaalsContact C-N 3.28Å; V60-A62 PolarHBondContact O-N 3.04Å; V60-Q63 PolarHBondContact O-N 2.93Å
61A61Low61.6Low108 Ų108108.4 Ų108.489%0.89362%0.622SS**G310 helixtrans-70.3-20.9175.900000114.4P59P59-A61 PolarHBondContact O-N 2.76Å
62A58.3Low60.2Low56 Ų56110 Ų11046%0.46365%0.648SS.*G310 helixtrans-103.9-2178.200000112.9L58 P59 V60L58-A62 HydrophobicContact CB-CB 4.46Å; P59-A62 HydrophobicContact CG-CB 3.99Å; P59-A62 CarbonylContact O-C 3.58Å; P59-A62 WeakPolarHBondContact O-CA 3.35Å; P59-A62 PolarHBondContact O-N 3.34Å; V60-A62 VanDerWaalsContact C-N 3.28Å; V60-A62 PolarHBondContact O-N 3.04Å
63Q53.8Low59.1Low77 Ų77110 Ų11036%0.3665%0.648SS.*SBendtrans-71.8130.4169.4-73.7-178.92.200108.9L58 P59 V60 K65L58-Q63 HydrophobicContact CB-CG 4.23Å; L58-Q63 PolarHBondContact O-NE2 3.13Å; P59-Q63 PolarHBondContact O-N 3.16Å; V60-Q63 PolarHBondContact O-N 2.93Å; Q63-K65 PolarHBondContact O-N 3.5Å
64P56.2Low57.7Low82 Ų82103 Ų10353%0.53263%0.631SS.*PPolyproline II helixtrans-61.6123.7174.924-29.3000108.5L55 E66L55-P64 HydrophobicContact CD1-CG 4.45Å; L55-P64 HydrophobicContact CD2-CG 3.99Å; P64-E66 PolarHBondContact O-N 3.39Å
65K55.6Low56.5Low196 Ų196104.4 Ų104.485%0.85263%0.633SS**PPolyproline II helixtrans-58.6131.1169.2-67.7-174.8174.9-176.30107.4Q63 A67Q63-K65 PolarHBondContact O-N 3.5Å; K65-A67 PolarHBondContact O-N 3.05Å
66E52.4Low55.3Low211 Ų211108.6 Ų108.699%0.98665%0.646SS**SBendtrans-49.877.8-173-72.8168137.700114P64P64-E66 PolarHBondContact O-N 3.39Å
67A49.7Very low54.3Low85 Ų85108.6 Ų108.670%0.70264%0.636SS**  trans-137.9116.3167.200000105.7K65K65-A67 PolarHBondContact O-N 3.05Å
68A49.8Very low53.4Low76 Ų76102.9 Ų102.963%0.62862%0.621SS**  trans78.674.4176.700000116.8
69V44.3Very low52.9Low131 Ų131102.1 Ų102.179%0.79463%0.631SS**  trans-118.675.3134.9-175.50000107.4
70Q48Very low53.4Low167 Ų167103 Ų10378%0.7863%0.629SS**SBendtrans-133.1105.6161.6-73.5-169.8-12.400107.5
71S41.3Very low54.7Low107 Ų107103.3 Ų103.375%0.74862%0.621SS**  trans40.398.4159.6-164.50000117.1A73S71-A73 PolarHBondContact O-N 3.23Å
72G43.7Very low56.2Low81 Ų81100.9 Ų100.984%0.83559%0.588SS**THydrogen-bonded Turntrans-66.329.7-170.500000119.1Y76G72-Y76 WeakPolarHBondContact O-CE1 3.27Å
73A49.7Very low58Low58 Ų58102.2 Ų102.248%0.47959%0.588SS.*THydrogen-bonded Turntrans-113-16.6173.900000114.2S71 Y76S71-A73 PolarHBondContact O-N 3.23Å; A73-Y76 VanDerWaalsContact O-CE1 3.31Å; A73-Y76 WeakPolarHBondContact O-CE1 3.32Å; A73-Y76 PolarHBondContact O-OH 2.85Å
74G48.5Very low60.1Low29 Ų29102.1 Ų102.130%0.29958%0.584SS.*SBendtrans-99.9-32.6-168.500000116.1
75D45.7Very low62.1Low93 Ų93100.2 Ų100.250%0.49757%0.566SS.*G310 helixtrans-90.6-20.5-162.7-81.4-4.9000115L77 L78D75-L77 PolarHBondContact O-N 3.3Å; D75-L77 VanDerWaalsContact O-N 3.1Å; D75-L78 PolarHBondContact O-N 2.82Å; D75-L78 VanDerWaalsContact O-N 3.13Å
76Y48.5Very low64.1Low143 Ų14390.9 Ų90.956%0.56153%0.525SS*.G310 helixtrans-67.2-9.517155.4-106.8000113.2G72 A73G72-Y76 WeakPolarHBondContact O-CE1 3.27Å; A73-Y76 VanDerWaalsContact O-CE1 3.31Å; A73-Y76 WeakPolarHBondContact O-CE1 3.32Å; A73-Y76 PolarHBondContact O-OH 2.85Å
77L51.6Low66.3Low73 Ų7382.8 Ų82.838%0.38249%0.486SS..G310 helixtrans-86.4-12.5176.1-60.7176.1000112.9D75 P120D75-L77 PolarHBondContact O-N 3.3Å; D75-L77 VanDerWaalsContact O-N 3.1Å; L77-P120 WeakPolarHBondContact O-CB 3.46Å
78L57.5Low68.6Low98 Ų9878.7 Ų78.751%0.51345%0.453SS..SBendtrans-107.280.2-179.3-74.4163.1000110.1D75D75-L78 PolarHBondContact O-N 2.82Å; D75-L78 VanDerWaalsContact O-N 3.13Å
79G61.4Low70.9Confident58 Ų5879.2 Ų79.260%0.59845%0.445SS*.SBendtrans137.1-12160.600000116.6
80I81.4Confident73.4Confident110 Ų11073.5 Ų73.556%0.56441%0.41SS*.  trans-92.2116.3179.7-55.3176.2000110R82I80-R82 PolarHBondContact O-N 2.88Å
81K89.5Confident75.7Confident130 Ų13068.1 Ų68.157%0.56540%0.4SS*.  trans-67.3128.3168.2-58.4-174.2158.2-153.40109.5E117 S119K81-E117 HydrophobicContact CB-CG 4.17Å; K81-E117 HydrophobicContact CD-CG 4.42Å; K81-E117 VanDerWaalsContact CD-OE1 3.32Å; K81-E117 WeakPolarHBondContact CD-OE1 3.15Å; K81-E117 VanDerWaalsContact CE-OE1 3.27Å; K81-E117 WeakPolarHBondContact CE-OE1 3.5Å; K81-E117 IonicContact NZ-OE1 2.76Å; K81-E117 PolarHBondContact NZ-OE1 3.01Å; K81-E117 IonicContact NZ-OE2 3.84Å; K81-S119 WeakPolarHBondContact CG-OG 3.37Å
82R93.5Very high78.3Confident57 Ų5768.4 Ų68.422%0.21539%0.391CS..EExtended strand (participates in β ladder)trans-112.1111-176.9-61.4171.9-67.4170.73.1109.6I80 R84 L118 E159I80-R82 PolarHBondContact O-N 2.88Å; R82-R84 HydrophobicContact CB-CG 4.17Å; R82-R84 PolarHBondContact O-N 2.76Å; R82-L118 HydrophobicContact CB-CB 4.27Å; R82-L118 PolarHBondContact N-O 3.13Å; R82-L118 PolarHBondContact O-N 2.83Å; R82-E159 IonicContact CZ-OE2 3.4Å; R82-E159 IonicContact NH1-OE1 3.93Å; R82-E159 IonicContact NH1-OE2 3.07Å; R82-E159 PolarHBondContact NH1-OE2 3.49Å; R82-E159 VanDerWaalsContact NH1-OE2 3.07Å; R82-E159 IonicContact NH2-OE1 3.72Å; R82-E159 IonicContact NH2-OE2 2.76Å; R82-E159 PolarHBondContact NH2-OE2 3.46Å
83L95.9Very high80.9Confident85 Ų8564.6 Ų64.645%0.44535%0.352SS..EExtended strand (participates in β ladder)trans-77.3113.3168.5-70.2177.3000109.3L115 L116 E117 V131L83-L115 HydrophobicContact CB-CD1 4.46Å; L83-L116 CarbonylContact C-O 3.56Å; L83-L116 WeakPolarHBondContact CA-O 3.31Å; L83-E117 HydrophobicContact CD2-CB 3.91Å; L83-E117 HydrophobicContact CD2-CG 4.4Å; L83-V131 HydrophobicContact CD2-CG2 3.68Å
84R97.3Very high83.3Confident74 Ų7462.6 Ų62.628%0.27933%0.332SS..EExtended strand (participates in β ladder)trans-146.3162-176-63.4-65.5-177.4-82.72.7111.1R82 L116 L118 P204 R205 L206R82-R84 HydrophobicContact CB-CG 4.17Å; R82-R84 PolarHBondContact O-N 2.76Å; R84-L116 PolarHBondContact N-O 3.07Å; R84-L116 WeakPolarHBondContact O-CA 3.45Å; R84-L116 WeakPolarHBondContact O-CB 3.2Å; R84-L116 PolarHBondContact O-N 2.8Å; R84-L116 VanDerWaalsContact O-O 3.07Å; R84-L118 HydrophobicContact CB-CD1 4.28Å; R84-P204 HydrophobicContact CB-CB 4.36Å; R84-P204 HydrophobicContact CG-CB 4.25Å; R84-R205 CarbonylContact C-O 3.58Å; R84-R205 WeakPolarHBondContact CA-O 3.42Å; R84-R205 WeakPolarHBondContact CB-O 3.39Å; R84-R205 WeakPolarHBondContact CD-O 3.4Å; R84-L206 VanDerWaalsContact CZ-CD2 3.41Å
85R97.9Very high85.6Confident42 Ų4261.3 Ų61.316%0.15832%0.319CS..EExtended strand (participates in β ladder)trans-102.7137.7161.5-59.9-178.2171.7751.7108.6S114 P204 R205 L206R85-S114 WeakPolarHBondContact CG-O 3.48Å; R85-S114 PolarHBondContact NE-OG 2.79Å; R85-P204 CarbonylContact O-C 3.52Å; R85-P204 WeakPolarHBondContact O-CA 3.34Å; R85-R205 PolarHBondContact N-O 2.86Å; R85-R205 PolarHBondContact O-N 2.94Å; R85-L206 PolarHBondContact NH1-OXT 2.98Å
86L98.5Very high88.2Confident0 Ų056.9 Ų56.90%030%0.295CS..EExtended strand (participates in β ladder)trans-97.698.7177.1-65-179.3000109.5H95 L96 L116 L118 I128 Y169 F202 P204L86-H95 CarbonylContact O-C 3.58Å; L86-H95 WeakPolarHBondContact O-CA 3.14Å; L86-L96 HydrophobicContact CB-CB 4.07Å; L86-L96 HydrophobicContact CD1-CD2 4.12Å; L86-L96 PolarHBondContact O-N 3.01Å; L86-L116 HydrophobicContact CB-CD1 4.32Å; L86-L116 HydrophobicContact CD1-CD1 3.95Å; L86-L116 HydrophobicContact CG-CD1 3.98Å; L86-L118 HydrophobicContact CD2-CD1 4.45Å; L86-L118 HydrophobicContact CD2-CD2 4.13Å; L86-L118 HydrophobicContact CG-CD1 4.48Å; L86-I128 HydrophobicContact CD1-CD1 4.01Å; L86-I128 HydrophobicContact CD1-CG2 4.31Å; L86-Y169 HydrophobicContact CD1-CD2 4.4Å; L86-Y169 HydrophobicContact CD1-CE2 3.82Å; L86-Y169 HydrophobicContact CD2-CE2 3.97Å; L86-Y169 WeakPolarHBondContact CD2-OH 3.33Å; L86-Y169 HydrophobicContact CG-CE2 4.47Å; L86-F202 HydrophobicContact CB-CB 4.29Å; L86-F202 HydrophobicContact CB-CD1 3.91Å; L86-F202 HydrophobicContact CB-CG 4.4Å; L86-P204 HydrophobicContact CD2-CB 4.19Å; L86-P204 HydrophobicContact CD2-CG 4.05Å
87Y98.5Very high90.5Very high41 Ų4151.3 Ų51.316%0.16127%0.274CS..EExtended strand (participates in β ladder)trans-88.2121-177.1177.1-105000112.2N89 G93 H95 F202 L203Y87-N89 HydrophobicContact CD1-CB 4.48Å; Y87-N89 HydrophobicContact CE1-CB 3.75Å; Y87-G93 WeakPolarHBondContact OH-CA 3.44Å; Y87-H95 AromaticContact CD2-CD2 3.82Å; Y87-H95 AromaticContact CD2-CE1 3.79Å; Y87-H95 AromaticContact CD2-NE2 3.43Å; Y87-H95 WeakPolarHBondContact CD2-NE2 3.32Å; Y87-H95 AromaticContact CG-NE2 3.92Å; Y87-F202 CarbonylContact O-C 3.58Å; Y87-F202 VanDerWaalsContact O-CA 3.3Å; Y87-F202 WeakPolarHBondContact O-CA 3.36Å; Y87-L203 PolarHBondContact N-O 3.38Å; Y87-L203 PolarHBondContact O-N 3.15Å
88C98.4Very high92.8Very high0 Ų047.9 Ų47.90%026%0.256CS..EExtended strand (participates in β ladder)trans-100.5119.3172.3-169.40000110.5V90 G93 F94 L181 H201 F202C88-V90 VanDerWaalsContact C-N 3.28Å; C88-V90 HydrophobicContact CB-CG2 4.35Å; C88-V90 PolarHBondContact O-N 2.87Å; C88-V90 VanDerWaalsContact SG-CG2 3.59Å; C88-G93 WeakPolarHBondContact O-CA 3.34Å; C88-F94 PolarHBondContact N-O 3.44Å; C88-F94 PolarHBondContact O-N 2.94Å; C88-L181 HydrophobicContact CB-CB 4.34Å; C88-L181 HydrophobicContact CB-CD1 4.12Å; C88-H201 WeakPolarHBondContact CA-O 3.21Å; C88-H201 PolarHBondContact SG-O 2.83Å; C88-F202 HydrophobicContact CB-CD1 3.81Å; C88-F202 HydrophobicContact CB-CE1 3.62Å; C88-F202 HydrophobicContact CB-CZ 4.22Å
89N97.6Very high94.7Very high87 Ų8744.7 Ų44.747%0.46524%0.239SC..  trans-83.167.6-179-168.211.2000112Y87 Y166Y87-N89 HydrophobicContact CD1-CB 4.48Å; Y87-N89 HydrophobicContact CE1-CB 3.75Å; N89-Y166 HydrophobicContact CB-CE1 4.2Å
90V96.9Very high96.4Very high11 Ų1146.1 Ų46.17%0.06724%0.238CC..SBendtrans-132140.6177.7-65.30000111.4C88 I92 G93 F94 K198 V199C88-V90 VanDerWaalsContact C-N 3.28Å; C88-V90 HydrophobicContact CB-CG2 4.35Å; C88-V90 PolarHBondContact O-N 2.87Å; C88-V90 VanDerWaalsContact SG-CG2 3.59Å; V90-I92 PolarHBondContact O-N 3.04Å; V90-G93 WeakPolarHBondContact O-CA 3.37Å; V90-G93 PolarHBondContact O-N 3.28Å; V90-F94 HydrophobicContact CG2-CD2 4.21Å; V90-F94 VanDerWaalsContact O-CD2 3.31Å; V90-F94 WeakPolarHBondContact O-CD2 3.44Å; V90-F94 VanDerWaalsContact O-CE2 3.25Å; V90-F94 WeakPolarHBondContact O-CE2 3.47Å; V90-K198 HydrophobicContact CG1-CB 4.25Å; V90-V199 HydrophobicContact CG1-CG1 4.09Å
91G96.4Very high97.2Very high54 Ų5445.1 Ų45.156%0.55723%0.234SC*.THydrogen-bonded Turntrans61.6-122.4-173.800000110.2G93G91-G93 VanDerWaalsContact C-N 3.28Å
92I96.9Very high97.5Very high113 Ų11339.5 Ų39.558%0.57921%0.213SC*.THydrogen-bonded Turntrans-83.8-1.317362.3172.3000113.3V90 F94 H108V90-I92 PolarHBondContact O-N 3.04Å; I92-F94 HydrophobicContact CD1-CE1 4.18Å; I92-F94 HydrophobicContact CD1-CZ 4.11Å; I92-F94 HydrophobicContact CG1-CE1 3.95Å; I92-F94 HydrophobicContact CG1-CE2 4.02Å; I92-F94 HydrophobicContact CG1-CZ 3.52Å; I92-H108 HydrophobicContact CD1-CB 3.8Å; I92-H108 HydrophobicContact CG1-CB 4.34Å; I92-H108 PolarHBondContact O-CE1 2.64Å; I92-H108 PolarHBondContact O-ND1 2.84Å
93G97.9Very high97.7Very high0 Ų044.4 Ų44.40%023%0.231CC..  trans86.9136.6-173.500000112.3Y87 C88 V90 G91 H108Y87-G93 WeakPolarHBondContact OH-CA 3.44Å; C88-G93 WeakPolarHBondContact O-CA 3.34Å; V90-G93 WeakPolarHBondContact O-CA 3.37Å; V90-G93 PolarHBondContact O-N 3.28Å; G91-G93 VanDerWaalsContact C-N 3.28Å; G93-H108 PolarHBondContact O-ND1 3.43Å
94F98.6Very high97.8Very high16 Ų1641 Ų417%0.0721%0.214CC..EExtended strand (participates in β ladder)trans-143.5136.8-176.4-59.3-85.6000111.7C88 V90 I92 A107 H108 L181 K183 G185C88-F94 PolarHBondContact N-O 3.44Å; C88-F94 PolarHBondContact O-N 2.94Å; V90-F94 HydrophobicContact CG2-CD2 4.21Å; V90-F94 VanDerWaalsContact O-CD2 3.31Å; V90-F94 WeakPolarHBondContact O-CD2 3.44Å; V90-F94 VanDerWaalsContact O-CE2 3.25Å; V90-F94 WeakPolarHBondContact O-CE2 3.47Å; I92-F94 HydrophobicContact CD1-CE1 4.18Å; I92-F94 HydrophobicContact CD1-CZ 4.11Å; I92-F94 HydrophobicContact CG1-CE1 3.95Å; I92-F94 HydrophobicContact CG1-CE2 4.02Å; I92-F94 HydrophobicContact CG1-CZ 3.52Å; F94-A107 CarbonylContact C-O 3.53Å; F94-A107 WeakPolarHBondContact CA-O 3.12Å; F94-H108 HydrophobicContact CD1-CB 4.4Å; F94-H108 HydrophobicContact CE1-CB 4.46Å; F94-L181 HydrophobicContact CB-CD1 3.91Å; F94-K183 VanDerWaalsContact CE2-O 3.29Å; F94-K183 WeakPolarHBondContact CE2-O 3.18Å; F94-G185 VanDerWaalsContact CZ-N 3.33Å
95H98.6Very high97.9Very high3 Ų338 Ų381%0.01421%0.206CC..EExtended strand (participates in β ladder)trans-86.3132.9166.5-59.399000110.2L86 Y87 Q97 G106 A107 H108 D110 R205L86-H95 CarbonylContact O-C 3.58Å; L86-H95 WeakPolarHBondContact O-CA 3.14Å; Y87-H95 AromaticContact CD2-CD2 3.82Å; Y87-H95 AromaticContact CD2-CE1 3.79Å; Y87-H95 AromaticContact CD2-NE2 3.43Å; Y87-H95 WeakPolarHBondContact CD2-NE2 3.32Å; Y87-H95 AromaticContact CG-NE2 3.92Å; H95-Q97 PolarHBondContact O-N 3.28Å; H95-G106 CarbonylContact O-C 3.45Å; H95-G106 VanDerWaalsContact O-CA 3.25Å; H95-G106 WeakPolarHBondContact O-CA 3.36Å; H95-A107 PolarHBondContact N-O 2.84Å; H95-A107 PolarHBondContact O-N 3.47Å; H95-H108 PolarHBondContact ND1-O 3.05Å; H95-D110 IonicContact CE1-OD1 2.73Å; H95-D110 PolarHBondContact CE1-OD1 3.4Å; H95-D110 IonicContact ND1-OD1 2.7Å; H95-D110 PolarHBondContact ND1-OD1 3.49Å; H95-D110 IonicContact NE2-OD1 3.14Å; H95-R205 PolarHBondContact CE1-NH1 3.35Å; H95-R205 PolarHBondContact NE2-NH1 3.38Å; H95-R205 VanDerWaalsContact NE2-NH1 3.12Å
96L98.7Very high97.9Very high0 Ų036.8 Ų36.80%021%0.206CC..EExtended strand (participates in β ladder)trans-59.1134169.4-17072.3000109.3L86 I104 S114 L116 V137 I179 L181 F202L86-L96 HydrophobicContact CB-CB 4.07Å; L86-L96 HydrophobicContact CD1-CD2 4.12Å; L86-L96 PolarHBondContact O-N 3.01Å; L96-I104 HydrophobicContact CD1-CG2 3.67Å; L96-I104 HydrophobicContact CG-CG2 4.35Å; L96-S114 WeakPolarHBondContact O-CA 3.4Å; L96-L116 HydrophobicContact CB-CD1 4.22Å; L96-L116 HydrophobicContact CD2-CD1 4.1Å; L96-L116 HydrophobicContact CG-CD1 4.41Å; L96-V137 HydrophobicContact CD2-CG2 4.35Å; L96-I179 HydrophobicContact CD1-CG2 4.25Å; L96-I179 HydrophobicContact CD2-CG2 4.22Å; L96-L181 HydrophobicContact CD1-CD1 4.41Å; L96-L181 HydrophobicContact CD1-CD2 4.04Å; L96-L181 HydrophobicContact CD1-CG 4.35Å; L96-F202 HydrophobicContact CB-CE1 4.28Å
97Q98.1Very high97.8Very high26 Ų2637.5 Ų37.512%0.12121%0.212CC..EExtended strand (participates in β ladder)trans-134.6146.6176.463.817810.900111.2H95 L99 I104 G105 T111 D113H95-Q97 PolarHBondContact O-N 3.28Å; Q97-L99 HydrophobicContact CG-CD2 4.26Å; Q97-I104 WeakPolarHBondContact O-CA 3.24Å; Q97-G105 PolarHBondContact N-O 2.81Å; Q97-G105 PolarHBondContact O-N 3.44Å; Q97-T111 PolarHBondContact OE1-OG1 2.93Å; Q97-D113 WeakPolarHBondContact CA-O 3.18Å; Q97-D113 HydrophobicContact CB-CB 4.18Å; Q97-D113 WeakPolarHBondContact CB-O 3.43Å
98A98.5Very high97.7Very high0 Ų040.5 Ų40.50%023%0.227CC..EExtended strand (participates in β ladder)trans-110.4113171.100000108I104 D113 S133A98-I104 HydrophobicContact CB-CD1 3.64Å; A98-D113 PolarHBondContact N-O 3.37Å; A98-D113 VanDerWaalsContact N-O 3.16Å; A98-S133 WeakPolarHBondContact CB-OG 3.45Å; A98-S133 WeakPolarHBondContact O-CB 3.44Å; A98-S133 PolarHBondContact O-OG 2.74Å
99L98.2Very high97.5Very high31 Ų3143.5 Ų43.516%0.16225%0.251CS..  trans-81.9157.2-174.9-63.8177.7000112Q97 D101 G102 R103 D113 S133Q97-L99 HydrophobicContact CG-CD2 4.26Å; L99-D101 VanDerWaalsContact CB-OD1 3.3Å; L99-D101 WeakPolarHBondContact CB-OD1 3.49Å; L99-D101 PolarHBondContact O-N 3.31Å; L99-D101 VanDerWaalsContact O-N 3.11Å; L99-G102 PolarHBondContact O-N 2.87Å; L99-R103 WeakPolarHBondContact CB-O 3.41Å; L99-R103 HydrophobicContact CD1-CB 4.17Å; L99-R103 PolarHBondContact N-O 3.16Å; L99-D113 HydrophobicContact CD2-CB 4.19Å; L99-S133 WeakPolarHBondContact O-CB 3.3Å
100P97.4Very high97.2Very high88 Ų8843.7 Ų43.757%0.57125%0.253SS*.THydrogen-bonded Turntrans-61-17.7178.9-2534.9000115.3G102 F135P100-G102 VanDerWaalsContact C-N 3.32Å; P100-F135 WeakPolarHBondContact O-CE2 3.19Å
101D96.9Very high97.2Very high90 Ų9045.1 Ų45.148%0.48126%0.262SS..THydrogen-bonded Turntrans-90.77.3175.664.65.4000113.3L99 R103L99-D101 VanDerWaalsContact CB-OD1 3.3Å; L99-D101 WeakPolarHBondContact CB-OD1 3.49Å; L99-D101 PolarHBondContact O-N 3.31Å; L99-D101 VanDerWaalsContact O-N 3.11Å; D101-R103 VanDerWaalsContact C-N 3.29Å; D101-R103 PolarHBondContact O-N 2.89Å; D101-R103 VanDerWaalsContact OD1-CB 3.28Å; D101-R103 WeakPolarHBondContact OD1-CB 3.34Å; D101-R103 PolarHBondContact OD1-N 3.4Å; D101-R103 IonicContact OD1-NE 3.21Å; D101-R103 PolarHBondContact OD1-NE 2.99Å; D101-R103 IonicContact OD2-CZ 3.49Å; D101-R103 IonicContact OD2-NE 2.86Å; D101-R103 PolarHBondContact OD2-NE 2.85Å; D101-R103 IonicContact OD2-NH2 3.58Å; D101-R103 PolarHBondContact OD2-NH2 2.8Å
102G96.4Very high97.2Very high12 Ų1252 Ų5212%0.12427%0.27CS..SBendtrans786.2-178.300000114.2L99 P100 G147L99-G102 PolarHBondContact O-N 2.87Å; P100-G102 VanDerWaalsContact C-N 3.32Å; G102-G147 WeakPolarHBondContact O-CA 3.37Å; G102-G147 PolarHBondContact O-N 3.22Å
103R98.3Very high97.2Very high160 Ų16048.4 Ų48.460%0.60425%0.253SS*.  trans-78.4139.8171-69-174-67.3151.1-1.5111L99 D101L99-R103 WeakPolarHBondContact CB-O 3.41Å; L99-R103 HydrophobicContact CD1-CB 4.17Å; L99-R103 PolarHBondContact N-O 3.16Å; D101-R103 VanDerWaalsContact C-N 3.29Å; D101-R103 PolarHBondContact O-N 2.89Å; D101-R103 VanDerWaalsContact OD1-CB 3.28Å; D101-R103 WeakPolarHBondContact OD1-CB 3.34Å; D101-R103 PolarHBondContact OD1-N 3.4Å; D101-R103 IonicContact OD1-NE 3.21Å; D101-R103 PolarHBondContact OD1-NE 2.99Å; D101-R103 IonicContact OD2-CZ 3.49Å; D101-R103 IonicContact OD2-NE 2.86Å; D101-R103 PolarHBondContact OD2-NE 2.85Å; D101-R103 IonicContact OD2-NH2 3.58Å; D101-R103 PolarHBondContact OD2-NH2 2.8Å
104I98.7Very high97.2Very high14 Ų1448.4 Ų48.47%0.07225%0.253CS..EExtended strand (participates in β ladder)trans-99.8138.3170.6-53.7-55.3000108.5L96 Q97 A98 V137 L145 T187L96-I104 HydrophobicContact CD1-CG2 3.67Å; L96-I104 HydrophobicContact CG-CG2 4.35Å; Q97-I104 WeakPolarHBondContact O-CA 3.24Å; A98-I104 HydrophobicContact CB-CD1 3.64Å; I104-V137 HydrophobicContact CD1-CG2 4.14Å; I104-L145 HydrophobicContact CB-CB 4.04Å; I104-L145 HydrophobicContact CG1-CB 4.31Å; I104-L145 HydrophobicContact CG2-CB 4.19Å; I104-L145 HydrophobicContact CG2-CD1 4.2Å; I104-T187 HydrophobicContact CB-CG2 4.18Å; I104-T187 HydrophobicContact CG2-CG2 3.98Å; I104-T187 WeakPolarHBondContact O-CG2 3.46Å
105G98Very high97.2Very high11 Ų1149.8 Ų49.811%0.11326%0.26CS..EExtended strand (participates in β ladder)trans-157-172.3-178.600000112.5Q97Q97-G105 PolarHBondContact N-O 2.81Å; Q97-G105 PolarHBondContact O-N 3.44Å
106G98.1Very high97.2Very high16 Ų1649.6 Ų49.617%0.16526%0.26CS..EExtended strand (participates in β ladder)trans-121.4135.7173.200000110.9H95 G185H95-G106 CarbonylContact O-C 3.45Å; H95-G106 VanDerWaalsContact O-CA 3.25Å; H95-G106 WeakPolarHBondContact O-CA 3.36Å; G106-G185 VanDerWaalsContact CA-O 3.28Å; G106-G185 WeakPolarHBondContact CA-O 3.32Å; G106-G185 PolarHBondContact N-O 2.87Å
107A97.4Very high97.1Very high14 Ų1451.6 Ų51.612%0.11627%0.269CS..EExtended strand (participates in β ladder)trans-120.1138.4170.900000110.4F94 H95 T111F94-A107 CarbonylContact C-O 3.53Å; F94-A107 WeakPolarHBondContact CA-O 3.12Å; H95-A107 PolarHBondContact N-O 2.84Å; H95-A107 PolarHBondContact O-N 3.47Å; A107-T111 HydrophobicContact CB-CG2 3.94Å
108H96.5Very high97.1Very high105 Ų10550.4 Ų50.449%0.48626%0.263SS..SBendtrans-69.8-45.7178179.961.5000111.5I92 G93 F94 H95I92-H108 HydrophobicContact CD1-CB 3.8Å; I92-H108 HydrophobicContact CG1-CB 4.34Å; I92-H108 PolarHBondContact O-CE1 2.64Å; I92-H108 PolarHBondContact O-ND1 2.84Å; G93-H108 PolarHBondContact O-ND1 3.43Å; F94-H108 HydrophobicContact CD1-CB 4.4Å; F94-H108 HydrophobicContact CE1-CB 4.46Å; H95-H108 PolarHBondContact ND1-O 3.05Å
109A93.7Very high97Very high62 Ų6251 Ų5151%0.51227%0.268SS..SBendtrans-74.7159177.300000112.5T111A109-T111 PolarHBondContact O-N 2.82Å
110D91.5Very high96.8Very high92 Ų9251.1 Ų51.149%0.49227%0.27SS..  trans-76.192.7171.5-68.4-9.6000109.2H95H95-D110 IonicContact CE1-OD1 2.73Å; H95-D110 PolarHBondContact CE1-OD1 3.4Å; H95-D110 IonicContact ND1-OD1 2.7Å; H95-D110 PolarHBondContact ND1-OD1 3.49Å; H95-D110 IonicContact NE2-OD1 3.14Å
111T95.4Very high96.6Very high41 Ų4149.2 Ų49.225%0.25226%0.257SS..  trans-88.6164.8177.864.50000111.6Q97 A107 A109 D113 S114Q97-T111 PolarHBondContact OE1-OG1 2.93Å; A107-T111 HydrophobicContact CB-CG2 3.94Å; A109-T111 PolarHBondContact O-N 2.82Å; T111-D113 PolarHBondContact O-N 2.97Å; T111-S114 PolarHBondContact N-OG 3.33Å; T111-S114 PolarHBondContact O-N 2.66Å; T111-S114 PolarHBondContact O-OG 2.88Å; T111-S114 PolarHBondContact OG1-N 3.35Å
112R96.5Very high96.3Very high197 Ų19748.8 Ų48.874%0.74325%0.252SS*.G310 helixtrans-61.9-34.7170.7-171.5-171.3163.6-177.1-5.5111.5S114 A132R112-S114 VanDerWaalsContact C-N 3.31Å; R112-S114 PolarHBondContact O-N 2.92Å; R112-A132 HydrophobicContact CG-CB 3.76Å; R112-A132 WeakPolarHBondContact O-CB 3.48Å
113D97.8Very high96Very high38 Ų3858.6 Ų58.620%0.20329%0.285CS..G310 helixtrans-78.2-12.3-177.3-58.5-42.6000113.8Q97 A98 L99 T111Q97-D113 WeakPolarHBondContact CA-O 3.18Å; Q97-D113 HydrophobicContact CB-CB 4.18Å; Q97-D113 WeakPolarHBondContact CB-O 3.43Å; A98-D113 PolarHBondContact N-O 3.37Å; A98-D113 VanDerWaalsContact N-O 3.16Å; L99-D113 HydrophobicContact CD2-CB 4.19Å; T111-D113 PolarHBondContact O-N 2.97Å
114S98Very high95.7Very high0 Ų052.7 Ų52.70%027%0.274CS..G310 helixtrans-89.5-4.9176.273.40000114R85 L96 T111 R112 L116R85-S114 WeakPolarHBondContact CG-O 3.48Å; R85-S114 PolarHBondContact NE-OG 2.79Å; L96-S114 WeakPolarHBondContact O-CA 3.4Å; T111-S114 PolarHBondContact N-OG 3.33Å; T111-S114 PolarHBondContact O-N 2.66Å; T111-S114 PolarHBondContact O-OG 2.88Å; T111-S114 PolarHBondContact OG1-N 3.35Å; R112-S114 VanDerWaalsContact C-N 3.31Å; R112-S114 PolarHBondContact O-N 2.92Å; S114-L116 PolarHBondContact O-N 3.15Å
115L97.9Very high95.6Very high45 Ų4552.4 Ų52.424%0.23627%0.273CS..  trans-78.8116.1173.1-173.665.4000110.1L83 V131L83-L115 HydrophobicContact CB-CD1 4.46Å; L115-V131 HydrophobicContact CG-CG2 4.26Å; L115-V131 PolarHBondContact O-N 3.45Å; L115-V131 VanDerWaalsContact O-N 3.16Å
116L98.4Very high95.6Very high0 Ų052 Ų520%027%0.268CS..EExtended strand (participates in β ladder)trans-118.3137.7-173.9-53.2174.1000110.4L83 R84 L86 L96 S114 L118 I128 F129L83-L116 CarbonylContact C-O 3.56Å; L83-L116 WeakPolarHBondContact CA-O 3.31Å; R84-L116 PolarHBondContact N-O 3.07Å; R84-L116 WeakPolarHBondContact O-CA 3.45Å; R84-L116 WeakPolarHBondContact O-CB 3.2Å; R84-L116 PolarHBondContact O-N 2.8Å; R84-L116 VanDerWaalsContact O-O 3.07Å; L86-L116 HydrophobicContact CB-CD1 4.32Å; L86-L116 HydrophobicContact CD1-CD1 3.95Å; L86-L116 HydrophobicContact CG-CD1 3.98Å; L96-L116 HydrophobicContact CB-CD1 4.22Å; L96-L116 HydrophobicContact CD2-CD1 4.1Å; L96-L116 HydrophobicContact CG-CD1 4.41Å; S114-L116 PolarHBondContact O-N 3.15Å; L116-L118 HydrophobicContact CB-CD1 3.97Å; L116-I128 HydrophobicContact CB-CG2 4.05Å; L116-I128 HydrophobicContact CD1-CG2 3.75Å; L116-I128 HydrophobicContact CD2-CG2 4.42Å; L116-I128 HydrophobicContact CG-CG2 4.28Å; L116-F129 CarbonylContact C-O 3.59Å; L116-F129 WeakPolarHBondContact CA-O 3.07Å
117E97.8Very high95.6Very high42 Ų4251.7 Ų51.720%0.19626%0.264CS..EExtended strand (participates in β ladder)trans-91.3112.6165.8-177.8-174119.500108.5K81 L83 S119 F129 V131K81-E117 HydrophobicContact CB-CG 4.17Å; K81-E117 HydrophobicContact CD-CG 4.42Å; K81-E117 VanDerWaalsContact CD-OE1 3.32Å; K81-E117 WeakPolarHBondContact CD-OE1 3.15Å; K81-E117 VanDerWaalsContact CE-OE1 3.27Å; K81-E117 WeakPolarHBondContact CE-OE1 3.5Å; K81-E117 IonicContact NZ-OE1 2.76Å; K81-E117 PolarHBondContact NZ-OE1 3.01Å; K81-E117 IonicContact NZ-OE2 3.84Å; L83-E117 HydrophobicContact CD2-CB 3.91Å; L83-E117 HydrophobicContact CD2-CG 4.4Å; E117-S119 PolarHBondContact OE1-OG 2.92Å; E117-F129 HydrophobicContact CB-CB 4.3Å; E117-F129 PolarHBondContact N-O 3.11Å; E117-F129 PolarHBondContact O-N 2.97Å; E117-V131 HydrophobicContact CB-CG2 4.13Å
118L97.3Very high95.6Very high0 Ų051 Ų510%026%0.258CS..EExtended strand (participates in β ladder)trans-91.9109.1170.9-78.372.5000108.5R82 R84 L86 L116 S127 I128 Y169R82-L118 HydrophobicContact CB-CB 4.27Å; R82-L118 PolarHBondContact N-O 3.13Å; R82-L118 PolarHBondContact O-N 2.83Å; R84-L118 HydrophobicContact CB-CD1 4.28Å; L86-L118 HydrophobicContact CD2-CD1 4.45Å; L86-L118 HydrophobicContact CD2-CD2 4.13Å; L86-L118 HydrophobicContact CG-CD1 4.48Å; L116-L118 HydrophobicContact CB-CD1 3.97Å; L118-S127 WeakPolarHBondContact CA-O 3.41Å; L118-I128 HydrophobicContact CD1-CG2 4.49Å; L118-I128 HydrophobicContact CG-CG1 4.39Å; L118-Y169 HydrophobicContact CD2-CE1 4.41Å
119S95.6Very high95.7Very high13 Ų1347.4 Ų47.49%0.09124%0.241CC..EExtended strand (participates in β ladder)trans-111.6124.2-177.9-75.50000109.9K81 E117 V121 V126 S127K81-S119 WeakPolarHBondContact CG-OG 3.37Å; E117-S119 PolarHBondContact OE1-OG 2.92Å; S119-V121 PolarHBondContact O-N 3.4Å; S119-V126 WeakPolarHBondContact O-CA 3.35Å; S119-S127 WeakPolarHBondContact CB-OG 3.4Å; S119-S127 PolarHBondContact N-O 2.87Å; S119-S127 PolarHBondContact O-N 3.03Å; S119-S127 PolarHBondContact O-OG 3.16Å; S119-S127 VanDerWaalsContact O-OG 3.13Å
120P94.5Very high95.9Very high34 Ų3444.5 Ų44.522%0.22122%0.217CC..EExtended strand (participates in β ladder)trans-65.8135.2177.327.4-31.6000109.8L77L77-P120 WeakPolarHBondContact O-CB 3.46Å
121V93.4Very high96.2Very high48 Ų4842.2 Ų42.229%0.29121%0.206SC..EExtended strand (participates in β ladder)trans-104.4-48.8178.2179.90000109.1S119 V125 F151 K156S119-V121 PolarHBondContact O-N 3.4Å; V121-V125 HydrophobicContact CB-CG1 4.39Å; V121-V125 PolarHBondContact N-O 3.47Å; V121-F151 HydrophobicContact CG1-CZ 4.12Å; V121-F151 HydrophobicContact CG2-CE2 4.33Å; V121-F151 HydrophobicContact CG2-CZ 3.92Å; V121-K156 HydrophobicContact CG1-CD 4.17Å; V121-K156 HydrophobicContact CG1-CG 4.31Å
122E91.6Very high96.3Very high80 Ų8041.4 Ų41.437%0.37420%0.204SC..EExtended strand (participates in β ladder)trans-145.9175.5177.5-68163.7-140.100107.8G124 V125 K156E122-G124 PolarHBondContact O-N 3.29Å; E122-V125 HydrophobicContact CB-CB 4.18Å; E122-V125 HydrophobicContact CB-CG2 4.37Å; E122-V125 PolarHBondContact N-O 2.8Å; E122-V125 PolarHBondContact O-N 3.4Å; E122-V125 VanDerWaalsContact O-O 3.05Å; E122-K156 IonicContact OE1-NZ 3.74Å
123R89.4Confident96.4Very high219 Ų21932.7 Ų32.783%0.82617%0.173SC*.THydrogen-bonded Turntrans-56.5116.8-179.7-175.4178.8179.1179.21.4111V125R123-V125 PolarHBondContact O-N 3.43Å
124G91.6Very high96.4Very high35 Ų3539 Ų3936%0.36119%0.194SC..THydrogen-bonded Turntrans71.85.1-179.400000114.9E122 K158 E159E122-G124 PolarHBondContact O-N 3.29Å; G124-K158 CarbonylContact O-C 3.54Å; G124-K158 WeakPolarHBondContact O-CA 3.19Å; G124-E159 PolarHBondContact O-N 2.98Å
125V96.8Very high96.5Very high8 Ų841 Ų415%0.04820%0.202CC..EExtended strand (participates in β ladder)trans-113.7129.4178-175.40000109.2V121 E122 R123 K156 F157 K158 Y172V121-V125 HydrophobicContact CB-CG1 4.39Å; V121-V125 PolarHBondContact N-O 3.47Å; E122-V125 HydrophobicContact CB-CB 4.18Å; E122-V125 HydrophobicContact CB-CG2 4.37Å; E122-V125 PolarHBondContact N-O 2.8Å; E122-V125 PolarHBondContact O-N 3.4Å; E122-V125 VanDerWaalsContact O-O 3.05Å; R123-V125 PolarHBondContact O-N 3.43Å; V125-K156 HydrophobicContact CG1-CB 3.89Å; V125-K156 HydrophobicContact CG1-CG 4.47Å; V125-F157 CarbonylContact C-O 3.51Å; V125-F157 WeakPolarHBondContact CA-O 3.45Å; V125-K158 HydrophobicContact CG2-CG 4.17Å; V125-Y172 HydrophobicContact CG1-CD2 4.06Å; V125-Y172 HydrophobicContact CG1-CG 4.4Å; V125-Y172 HydrophobicContact CG2-CD2 3.8Å; V125-Y172 HydrophobicContact CG2-CE2 4Å
126V97.4Very high96.5Very high4 Ų440.7 Ų40.72%0.02420%0.199CC..EExtended strand (participates in β ladder)trans-122.2151.9-177.9-59.90000111S119 I128 F157 E159 Y169S119-V126 WeakPolarHBondContact O-CA 3.35Å; V126-I128 HydrophobicContact CG2-CG1 4.24Å; V126-F157 HydrophobicContact CG2-CB 4.49Å; V126-F157 PolarHBondContact N-O 3.26Å; V126-F157 PolarHBondContact O-N 2.76Å; V126-E159 HydrophobicContact CG1-CB 4.28Å; V126-E159 HydrophobicContact CG2-CB 4.23Å; V126-Y169 HydrophobicContact CG2-CD1 4.07Å; V126-Y169 HydrophobicContact CG2-CE1 3.99Å
127S98.2Very high96.5Very high9 Ų940.7 Ų40.76%0.06320%0.199CC..EExtended strand (participates in β ladder)trans-97.8148.3157.563.30000108.6L118 S119L118-S127 WeakPolarHBondContact CA-O 3.41Å; S119-S127 WeakPolarHBondContact CB-OG 3.4Å; S119-S127 PolarHBondContact N-O 2.87Å; S119-S127 PolarHBondContact O-N 3.03Å; S119-S127 PolarHBondContact O-OG 3.16Å; S119-S127 VanDerWaalsContact O-OG 3.13Å
128I98.7Very high96.6Very high0 Ų038.7 Ų38.70%019%0.19CC..EExtended strand (participates in β ladder)trans-122.7110.2179.6-54.8172.1000106.9L86 L116 L118 V126 F136 V137 F157 Y169 I179L86-I128 HydrophobicContact CD1-CD1 4.01Å; L86-I128 HydrophobicContact CD1-CG2 4.31Å; L116-I128 HydrophobicContact CB-CG2 4.05Å; L116-I128 HydrophobicContact CD1-CG2 3.75Å; L116-I128 HydrophobicContact CD2-CG2 4.42Å; L116-I128 HydrophobicContact CG-CG2 4.28Å; L118-I128 HydrophobicContact CD1-CG2 4.49Å; L118-I128 HydrophobicContact CG-CG1 4.39Å; V126-I128 HydrophobicContact CG2-CG1 4.24Å; I128-F136 WeakPolarHBondContact O-CA 3.3Å; I128-V137 HydrophobicContact CB-CB 4.12Å; I128-V137 HydrophobicContact CB-CG2 4.12Å; I128-V137 HydrophobicContact CG2-CB 4.32Å; I128-V137 HydrophobicContact CG2-CG2 3.77Å; I128-V137 PolarHBondContact O-N 2.74Å; I128-F157 HydrophobicContact CD1-CD2 4.11Å; I128-F157 HydrophobicContact CG1-CD2 4.41Å; I128-Y169 HydrophobicContact CD1-CD1 4.1Å; I128-Y169 HydrophobicContact CD1-CE1 4.42Å; I128-Y169 HydrophobicContact CD1-CG 4.29Å; I128-I179 HydrophobicContact CD1-CD1 3.75Å
129F98.6Very high96.7Very high29 Ų2938.7 Ų38.713%0.12719%0.19CC..EExtended strand (participates in β ladder)trans-112.8125.1-174.2-178.1-105.8000111.4L116 E117 V131 R134 F136L116-F129 CarbonylContact C-O 3.59Å; L116-F129 WeakPolarHBondContact CA-O 3.07Å; E117-F129 HydrophobicContact CB-CB 4.3Å; E117-F129 PolarHBondContact N-O 3.11Å; E117-F129 PolarHBondContact O-N 2.97Å; F129-V131 PolarHBondContact O-N 2.8Å; F129-R134 VanDerWaalsContact CE2-C 3.44Å; F129-R134 WeakPolarHBondContact CE2-O 3.32Å; F129-R134 VanDerWaalsContact CZ-CA 3.45Å; F129-R134 HydrophobicContact CZ-CB 4Å; F129-F136 HydrophobicContact CB-CD1 4.07Å; F129-F136 HydrophobicContact CB-CE1 4.05Å; F129-F136 AromaticContact CD2-CD1 3.76Å; F129-F136 HydrophobicContact CD2-CD1 3.76Å; F129-F136 AromaticContact CD2-CD2 3.92Å; F129-F136 HydrophobicContact CD2-CD2 3.92Å; F129-F136 AromaticContact CD2-CE1 3.69Å; F129-F136 HydrophobicContact CD2-CE1 3.69Å; F129-F136 AromaticContact CD2-CE2 3.84Å; F129-F136 HydrophobicContact CD2-CE2 3.84Å; F129-F136 AromaticContact CD2-CG 3.88Å; F129-F136 HydrophobicContact CD2-CG 3.88Å; F129-F136 AromaticContact CD2-CZ 3.73Å; F129-F136 HydrophobicContact CD2-CZ 3.73Å; F129-F136 HydrophobicContact CE2-CD2 4.2Å; F129-F136 AromaticContact CE2-CE2 3.95Å; F129-F136 HydrophobicContact CE2-CE2 3.95Å; F129-F136 HydrophobicContact CE2-CZ 4.14Å; F129-F136 HydrophobicContact CG-CD1 4.39Å; F129-F136 HydrophobicContact CG-CE1 4.21Å
130G98.4Very high96.8Very high0 Ų039.3 Ų39.30%019%0.194CC..EExtended strand (participates in β ladder)trans-71.8110.8173.600000110.8A132 R134 F135G130-A132 VanDerWaalsContact C-N 3.33Å; G130-A132 PolarHBondContact O-N 2.81Å; G130-R134 WeakPolarHBondContact O-CA 3.38Å; G130-R134 PolarHBondContact O-N 3.41Å; G130-F135 PolarHBondContact N-O 2.93Å
131V97.7Very high97Very high45 Ų4541 Ų4127%0.27321%0.207SC..THydrogen-bonded Turntrans-62.7-42.3-174.1176.70000111.5L83 L115 E117 F129 R134L83-V131 HydrophobicContact CD2-CG2 3.68Å; L115-V131 HydrophobicContact CG-CG2 4.26Å; L115-V131 PolarHBondContact O-N 3.45Å; L115-V131 VanDerWaalsContact O-N 3.16Å; E117-V131 HydrophobicContact CB-CG2 4.13Å; F129-V131 PolarHBondContact O-N 2.8Å; V131-R134 WeakPolarHBondContact O-CD 3.48Å; V131-R134 PolarHBondContact O-NE 3.34Å
132A97.6Very high97.2Very high24 Ų2446.1 Ų46.120%0.19823%0.225CC..THydrogen-bonded Turntrans-76.2-46.9-177.500000112.7R112 G130R112-A132 HydrophobicContact CG-CB 3.76Å; R112-A132 WeakPolarHBondContact O-CB 3.48Å; G130-A132 VanDerWaalsContact C-N 3.33Å; G130-A132 PolarHBondContact O-N 2.81Å
133S98Very high97.6Very high13 Ų1342.3 Ų42.39%0.09121%0.207CC..THydrogen-bonded Turntrans-84.1-15.9-173.958.30000114A98 L99 F135A98-S133 WeakPolarHBondContact CB-OG 3.45Å; A98-S133 WeakPolarHBondContact O-CB 3.44Å; A98-S133 PolarHBondContact O-OG 2.74Å; L99-S133 WeakPolarHBondContact O-CB 3.3Å; S133-F135 WeakPolarHBondContact O-CD2 3.38Å; S133-F135 PolarHBondContact O-N 2.81Å
134R98.2Very high98Very high171 Ų17138.4 Ų38.465%0.64520%0.196SC*.  trans60.626.3-177.1-53.4-62.6-174149.21114.1F129 G130 V131F129-R134 VanDerWaalsContact CE2-C 3.44Å; F129-R134 WeakPolarHBondContact CE2-O 3.32Å; F129-R134 VanDerWaalsContact CZ-CA 3.45Å; F129-R134 HydrophobicContact CZ-CB 4Å; G130-R134 WeakPolarHBondContact O-CA 3.38Å; G130-R134 PolarHBondContact O-N 3.41Å; V131-R134 WeakPolarHBondContact O-CD 3.48Å; V131-R134 PolarHBondContact O-NE 3.34Å
135F98.6Very high98.4Very high42 Ų4237.1 Ų37.118%0.18418%0.181CC..  trans-105.9138.8173.5-75.8-79.4000111.4P100 G130 S133 G147 S148 P149P100-F135 WeakPolarHBondContact O-CE2 3.19Å; G130-F135 PolarHBondContact N-O 2.93Å; S133-F135 WeakPolarHBondContact O-CD2 3.38Å; S133-F135 PolarHBondContact O-N 2.81Å; F135-G147 VanDerWaalsContact CD1-C 3.46Å; F135-G147 WeakPolarHBondContact CD1-O 3.24Å; F135-S148 VanDerWaalsContact CD1-C 3.46Å; F135-P149 HydrophobicContact CD1-CB 4.19Å; F135-P149 HydrophobicContact CE1-CB 3.83Å; F135-P149 HydrophobicContact CE1-CG 4.13Å
136F98.8Very high98.5Very high39 Ų3940 Ų4017%0.17119%0.192CC..EExtended strand (participates in β ladder)trans-73.1136.1161.4-67.5-84.3000109.4I128 F129 A138 G147 S148 F151 C155I128-F136 WeakPolarHBondContact O-CA 3.3Å; F129-F136 HydrophobicContact CB-CD1 4.07Å; F129-F136 HydrophobicContact CB-CE1 4.05Å; F129-F136 AromaticContact CD2-CD1 3.76Å; F129-F136 HydrophobicContact CD2-CD1 3.76Å; F129-F136 AromaticContact CD2-CD2 3.92Å; F129-F136 HydrophobicContact CD2-CD2 3.92Å; F129-F136 AromaticContact CD2-CE1 3.69Å; F129-F136 HydrophobicContact CD2-CE1 3.69Å; F129-F136 AromaticContact CD2-CE2 3.84Å; F129-F136 HydrophobicContact CD2-CE2 3.84Å; F129-F136 AromaticContact CD2-CG 3.88Å; F129-F136 HydrophobicContact CD2-CG 3.88Å; F129-F136 AromaticContact CD2-CZ 3.73Å; F129-F136 HydrophobicContact CD2-CZ 3.73Å; F129-F136 HydrophobicContact CE2-CD2 4.2Å; F129-F136 AromaticContact CE2-CE2 3.95Å; F129-F136 HydrophobicContact CE2-CE2 3.95Å; F129-F136 HydrophobicContact CE2-CZ 4.14Å; F129-F136 HydrophobicContact CG-CD1 4.39Å; F129-F136 HydrophobicContact CG-CE1 4.21Å; F136-A138 PolarHBondContact O-N 2.83Å; F136-G147 CarbonylContact O-C 3.51Å; F136-G147 VanDerWaalsContact O-CA 3.3Å; F136-G147 WeakPolarHBondContact O-CA 3.35Å; F136-S148 PolarHBondContact N-O 2.79Å; F136-S148 PolarHBondContact O-N 3.13Å; F136-F151 AromaticContact CD1-CD2 3.97Å; F136-F151 HydrophobicContact CD1-CD2 3.97Å; F136-F151 HydrophobicContact CD2-CB 4.25Å; F136-F151 HydrophobicContact CE1-CB 4.42Å; F136-F151 AromaticContact CE1-CD2 3.89Å; F136-F151 HydrophobicContact CE1-CD2 3.89Å; F136-F151 HydrophobicContact CE2-CB 3.86Å; F136-F151 HydrophobicContact CG-CD2 4.4Å; F136-F151 HydrophobicContact CZ-CB 3.95Å; F136-F151 HydrophobicContact CZ-CD2 4.27Å; F136-F151 HydrophobicContact CZ-CG 4.47Å; F136-C155 HydrophobicContact CB-CB 4.01Å; F136-C155 HydrophobicContact CG-CB 4.44Å
137V98.9Very high98.5Very high0 Ų040.3 Ų40.30%020%0.195CC..EExtended strand (participates in β ladder)trans-64.9130.6162.8-177.90000107.1L96 I104 I128 L145 C155 F157 I179L96-V137 HydrophobicContact CD2-CG2 4.35Å; I104-V137 HydrophobicContact CD1-CG2 4.14Å; I128-V137 HydrophobicContact CB-CB 4.12Å; I128-V137 HydrophobicContact CB-CG2 4.12Å; I128-V137 HydrophobicContact CG2-CB 4.32Å; I128-V137 HydrophobicContact CG2-CG2 3.77Å; I128-V137 PolarHBondContact O-N 2.74Å; V137-L145 HydrophobicContact CG1-CD2 4.26Å; V137-C155 WeakPolarHBondContact O-CA 3.49Å; V137-F157 HydrophobicContact CB-CE2 4.45Å; V137-F157 HydrophobicContact CG1-CE2 4.29Å; V137-F157 HydrophobicContact CG1-CZ 4.22Å; V137-F157 VanDerWaalsContact O-CE2 3.3Å; V137-F157 WeakPolarHBondContact O-CE2 3.37Å; V137-I179 HydrophobicContact CG1-CD1 4.24Å
138A98.9Very high98.5Very high0 Ų040.3 Ų40.30%020%0.195CC..EExtended strand (participates in β ladder)trans-137.5156.6-179.900000111.2F136 L145 Y146 E154F136-A138 PolarHBondContact O-N 2.83Å; A138-L145 WeakPolarHBondContact O-CA 3.37Å; A138-Y146 HydrophobicContact CB-CD1 4.16Å; A138-Y146 HydrophobicContact CB-CD2 4.26Å; A138-Y146 HydrophobicContact CB-CE1 3.7Å; A138-Y146 HydrophobicContact CB-CE2 3.81Å; A138-Y146 HydrophobicContact CB-CG 4.42Å; A138-Y146 PolarHBondContact N-O 2.84Å; A138-Y146 PolarHBondContact O-N 2.96Å; A138-E154 CarbonylContact C-O 3.47Å; A138-E154 VanDerWaalsContact CA-O 3.24Å; A138-E154 WeakPolarHBondContact CA-O 3.44Å; A138-E154 HydrophobicContact CB-CB 4.27Å
139M98.9Very high98.5Very high0 Ų043.9 Ų43.90%022%0.218CC..EExtended strand (participates in β ladder)trans-126.6121.3176.8-172.4177.2-62.800112L145 E154 F157 Y174 M177 F178 I179M139-L145 HydrophobicContact CB-CD2 4.1Å; M139-L145 HydrophobicContact CE-CD2 3.58Å; M139-L145 HydrophobicContact CE-CG 4.32Å; M139-L145 HydrophobicContact CG-CD2 4.41Å; M139-E154 PolarHBondContact N-O 2.95Å; M139-E154 WeakPolarHBondContact O-CB 3.39Å; M139-E154 WeakPolarHBondContact O-CG 3.47Å; M139-F157 HydrophobicContact CB-CE1 4Å; M139-F157 HydrophobicContact CB-CZ 4.23Å; M139-F157 HydrophobicContact CE-CE1 4.31Å; M139-Y174 WeakPolarHBondContact O-CE2 3.43Å; M139-M177 HydrophobicContact SD-CB 3.48Å; M139-M177 WeakPolarHBondContact SD-CB 3.45Å; M139-M177 HydrophobicContact SD-SD 4.37Å; M139-F178 WeakPolarHBondContact CE-O 3.3Å; M139-I179 HydrophobicContact CE-CG1 4.34Å
140S98.8Very high98.4Very high25 Ų2549.8 Ų49.818%0.17525%0.245CC..  trans-73.4163.2175.761.30000112.6K142 G143 K144S140-K142 PolarHBondContact O-N 2.55Å; S140-G143 WeakPolarHBondContact O-CA 3.25Å; S140-G143 PolarHBondContact O-N 2.81Å; S140-K144 PolarHBondContact N-O 2.81Å; S140-K144 WeakPolarHBondContact OG-CB 3.21Å; S140-K144 PolarHBondContact OG-N 3.28Å; S140-K144 PolarHBondContact OG-O 3.48Å
141S98.6Very high98.4Very high70 Ų7054.3 Ų54.349%0.4926%0.264SS..THydrogen-bonded Turntrans-55.6-21.7174.1600000115G143 Y174S141-G143 VanDerWaalsContact C-N 3.25Å; S141-G143 PolarHBondContact O-N 2.95Å; S141-Y174 VanDerWaalsContact CA-CZ 3.5Å
142K98.5Very high98.4Very high156 Ų15654.8 Ų54.868%0.67827%0.268SS*.THydrogen-bonded Turntrans-86.14.9175.4-63.5-179.3-178.6174.40112.8S140 K144S140-K142 PolarHBondContact O-N 2.55Å; K142-K144 VanDerWaalsContact C-N 3.26Å; K142-K144 PolarHBondContact O-N 3.32Å
143G98.4Very high98.4Very high0 Ų057.6 Ų57.60%028%0.279CS..SBendtrans72.411.8-174.900000114.2S140 S141 K189 G190S140-G143 WeakPolarHBondContact O-CA 3.25Å; S140-G143 PolarHBondContact O-N 2.81Å; S141-G143 VanDerWaalsContact C-N 3.25Å; S141-G143 PolarHBondContact O-N 2.95Å; G143-K189 CarbonylContact O-C 3.57Å; G143-K189 VanDerWaalsContact O-CA 3.29Å; G143-K189 WeakPolarHBondContact O-CA 3.41Å; G143-G190 PolarHBondContact O-N 3.02Å
144K98.6Very high98.4Very high137 Ų13758.1 Ų58.160%0.59628%0.28SS*.  trans-82.5128.4177.7-176.5-174.7175.5-171.90109.5S140 K142S140-K144 PolarHBondContact N-O 2.81Å; S140-K144 WeakPolarHBondContact OG-CB 3.21Å; S140-K144 PolarHBondContact OG-N 3.28Å; S140-K144 PolarHBondContact OG-O 3.48Å; K142-K144 VanDerWaalsContact C-N 3.26Å; K142-K144 PolarHBondContact O-N 3.32Å
145L98.8Very high98.5Very high7 Ų750 Ų504%0.03725%0.249CC..EExtended strand (participates in β ladder)trans-74.8139.5169.7-67.7175.4000111.1I104 V137 A138 M139 I179 T187I104-L145 HydrophobicContact CB-CB 4.04Å; I104-L145 HydrophobicContact CG1-CB 4.31Å; I104-L145 HydrophobicContact CG2-CB 4.19Å; I104-L145 HydrophobicContact CG2-CD1 4.2Å; V137-L145 HydrophobicContact CG1-CD2 4.26Å; A138-L145 WeakPolarHBondContact O-CA 3.37Å; M139-L145 HydrophobicContact CB-CD2 4.1Å; M139-L145 HydrophobicContact CE-CD2 3.58Å; M139-L145 HydrophobicContact CE-CG 4.32Å; M139-L145 HydrophobicContact CG-CD2 4.41Å; L145-I179 HydrophobicContact CD1-CB 4.49Å; L145-I179 HydrophobicContact CD1-CG2 3.86Å; L145-I179 HydrophobicContact CD2-CG1 4.14Å; L145-T187 HydrophobicContact CB-CG2 4.22Å; L145-T187 HydrophobicContact CD1-CG2 3.88Å
146Y98.9Very high98.5Very high69 Ų6949.2 Ų49.227%0.27125%0.246SC..EExtended strand (participates in β ladder)trans-152.7161.7176.769.9-81.7000110.2A138 E154A138-Y146 HydrophobicContact CB-CD1 4.16Å; A138-Y146 HydrophobicContact CB-CD2 4.26Å; A138-Y146 HydrophobicContact CB-CE1 3.7Å; A138-Y146 HydrophobicContact CB-CE2 3.81Å; A138-Y146 HydrophobicContact CB-CG 4.42Å; A138-Y146 PolarHBondContact N-O 2.84Å; A138-Y146 PolarHBondContact O-N 2.96Å; Y146-E154 WeakPolarHBondContact CE1-OE2 3.29Å; Y146-E154 PolarHBondContact OH-OE2 3.49Å
147G98.8Very high98.5Very high10 Ų1047.3 Ų47.310%0.10324%0.238CC..EExtended strand (participates in β ladder)trans-88.1122.7172.100000110.2G102 F135 F136G102-G147 WeakPolarHBondContact O-CA 3.37Å; G102-G147 PolarHBondContact O-N 3.22Å; F135-G147 VanDerWaalsContact CD1-C 3.46Å; F135-G147 WeakPolarHBondContact CD1-O 3.24Å; F136-G147 CarbonylContact O-C 3.51Å; F136-G147 VanDerWaalsContact O-CA 3.3Å; F136-G147 WeakPolarHBondContact O-CA 3.35Å
148S98.4Very high98.4Very high9 Ų950.9 Ų50.96%0.06325%0.253CS..EExtended strand (participates in β ladder)trans-103.1127.4174.1-175.10000110.8F135 F136 F150F135-S148 VanDerWaalsContact CD1-C 3.46Å; F136-S148 PolarHBondContact N-O 2.79Å; F136-S148 PolarHBondContact O-N 3.13Å; S148-F150 WeakPolarHBondContact CB-O 3.47Å; S148-F150 PolarHBondContact O-N 2.97Å; S148-F150 PolarHBondContact OG-N 2.98Å; S148-F150 PolarHBondContact OG-O 2.72Å
149P97.3Very high98.4Very high75 Ų7552.5 Ų52.549%0.48726%0.261SS..SBendtrans-73.9-17.2176.428.9-30.3000111.7F135F135-P149 HydrophobicContact CD1-CB 4.19Å; F135-P149 HydrophobicContact CE1-CB 3.83Å; F135-P149 HydrophobicContact CE1-CG 4.13Å
150F96.9Very high98.3Very high154 Ų15455.4 Ų55.468%0.67528%0.276SS*.SBendtrans-114.6142.3179.1-54.2-68.5000110.5S148 T152S148-F150 WeakPolarHBondContact CB-O 3.47Å; S148-F150 PolarHBondContact O-N 2.97Å; S148-F150 PolarHBondContact OG-N 2.98Å; S148-F150 PolarHBondContact OG-O 2.72Å; F150-T152 PolarHBondContact O-N 3.14Å
151F98Very high98.2Very high94 Ų9459.9 Ų59.941%0.41230%0.297SS..  trans-74.9125.7173.6-177.8-110.9000110.3V121 F136 C155 K156V121-F151 HydrophobicContact CG1-CZ 4.12Å; V121-F151 HydrophobicContact CG2-CE2 4.33Å; V121-F151 HydrophobicContact CG2-CZ 3.92Å; F136-F151 AromaticContact CD1-CD2 3.97Å; F136-F151 HydrophobicContact CD1-CD2 3.97Å; F136-F151 HydrophobicContact CD2-CB 4.25Å; F136-F151 HydrophobicContact CE1-CB 4.42Å; F136-F151 AromaticContact CE1-CD2 3.89Å; F136-F151 HydrophobicContact CE1-CD2 3.89Å; F136-F151 HydrophobicContact CE2-CB 3.86Å; F136-F151 HydrophobicContact CG-CD2 4.4Å; F136-F151 HydrophobicContact CZ-CB 3.95Å; F136-F151 HydrophobicContact CZ-CD2 4.27Å; F136-F151 HydrophobicContact CZ-CG 4.47Å; F151-C155 HydrophobicContact CD2-CB 3.69Å; F151-C155 HydrophobicContact CE2-CB 3.81Å; F151-K156 HydrophobicContact CE2-CG 4.24Å; F151-K156 HydrophobicContact CZ-CD 4.46Å; F151-K156 HydrophobicContact CZ-CG 3.84Å
152T97.9Very high98.2Very high56 Ų5657.3 Ų57.334%0.34428%0.278SS..  trans-139.6173.9178.968.80000109.9F150 E154 C155F150-T152 PolarHBondContact O-N 3.14Å; T152-E154 PolarHBondContact O-N 2.87Å; T152-E154 VanDerWaalsContact O-N 3.15Å; T152-E154 PolarHBondContact OG1-N 3.33Å; T152-C155 PolarHBondContact N-SG 3.06Å; T152-C155 VanDerWaalsContact O-CB 3.24Å; T152-C155 WeakPolarHBondContact O-CB 3.36Å; T152-C155 PolarHBondContact O-N 2.86Å
153D98Very high98.1Very high82 Ų8256.4 Ų56.444%0.43929%0.288SS..G310 helixtrans-61.9-20.5174.8-70.2-35.9000113.7C155 K156 K173D153-C155 PolarHBondContact O-N 3.21Å; D153-K156 PolarHBondContact O-N 3.12Å; D153-K156 WeakPolarHBondContact OD1-CE 3.28Å; D153-K156 IonicContact OD1-NZ 2.79Å; D153-K156 PolarHBondContact OD1-NZ 3.5Å; D153-K173 HydrophobicContact CB-CB 4.43Å; D153-K173 HydrophobicContact CB-CD 4.17Å; D153-K173 HydrophobicContact CB-CG 4.49Å
154E98.7Very high97.8Very high24 Ų2459.7 Ų59.711%0.11231%0.305CS..G310 helixtrans-71.9-13.6172.9-70.1-171.7-172.900113.3A138 M139 Y146 T152 K173 Y174A138-E154 CarbonylContact C-O 3.47Å; A138-E154 VanDerWaalsContact CA-O 3.24Å; A138-E154 WeakPolarHBondContact CA-O 3.44Å; A138-E154 HydrophobicContact CB-CB 4.27Å; M139-E154 PolarHBondContact N-O 2.95Å; M139-E154 WeakPolarHBondContact O-CB 3.39Å; M139-E154 WeakPolarHBondContact O-CG 3.47Å; Y146-E154 WeakPolarHBondContact CE1-OE2 3.29Å; Y146-E154 PolarHBondContact OH-OE2 3.49Å; T152-E154 PolarHBondContact O-N 2.87Å; T152-E154 VanDerWaalsContact O-N 3.15Å; T152-E154 PolarHBondContact OG1-N 3.33Å; E154-K173 HydrophobicContact CG-CD 3.51Å; E154-K173 IonicContact OE1-NZ 2.92Å; E154-K173 PolarHBondContact OE1-NZ 3.4Å; E154-Y174 HydrophobicContact CG-CE2 3.96Å; E154-Y174 PolarHBondContact OE1-OH 3.43Å
155C98.8Very high97.6Very high0 Ų059 Ų590%031%0.308CS..G310 helixtrans-91.3-2.2178-530000113F136 V137 F151 T152 D153F136-C155 HydrophobicContact CB-CB 4.01Å; F136-C155 HydrophobicContact CG-CB 4.44Å; V137-C155 WeakPolarHBondContact O-CA 3.49Å; F151-C155 HydrophobicContact CD2-CB 3.69Å; F151-C155 HydrophobicContact CE2-CB 3.81Å; T152-C155 PolarHBondContact N-SG 3.06Å; T152-C155 VanDerWaalsContact O-CB 3.24Å; T152-C155 WeakPolarHBondContact O-CB 3.36Å; T152-C155 PolarHBondContact O-N 2.86Å; D153-C155 PolarHBondContact O-N 3.21Å
156K98.7Very high97.6Very high26 Ų2660.9 Ų60.911%0.11332%0.315CS..EExtended strand (participates in β ladder)trans-94.5130.4-178.8-65.3179.7-176175.30110V121 E122 V125 F151 D153 Y172V121-K156 HydrophobicContact CG1-CD 4.17Å; V121-K156 HydrophobicContact CG1-CG 4.31Å; E122-K156 IonicContact OE1-NZ 3.74Å; V125-K156 HydrophobicContact CG1-CB 3.89Å; V125-K156 HydrophobicContact CG1-CG 4.47Å; F151-K156 HydrophobicContact CE2-CG 4.24Å; F151-K156 HydrophobicContact CZ-CD 4.46Å; F151-K156 HydrophobicContact CZ-CG 3.84Å; D153-K156 PolarHBondContact O-N 3.12Å; D153-K156 WeakPolarHBondContact OD1-CE 3.28Å; D153-K156 IonicContact OD1-NZ 2.79Å; D153-K156 PolarHBondContact OD1-NZ 3.5Å; K156-Y172 HydrophobicContact CB-CD1 4.18Å; K156-Y172 HydrophobicContact CB-CG 3.99Å; K156-Y172 HydrophobicContact CD-CD1 3.97Å; K156-Y172 HydrophobicContact CD-CE1 4.37Å; K156-Y172 HydrophobicContact CD-CG 4.46Å; K156-Y172 WeakPolarHBondContact O-CB 3.3Å; K156-Y172 PolarHBondContact O-N 3.49Å
157F98.8Very high97.6Very high0 Ų058.5 Ų58.50%031%0.307CS..EExtended strand (participates in β ladder)trans-130.7134.4177.4-58.9-86.2000111.5V125 V126 I128 V137 M139 E159 Y169 E170 I179V125-F157 CarbonylContact C-O 3.51Å; V125-F157 WeakPolarHBondContact CA-O 3.45Å; V126-F157 HydrophobicContact CG2-CB 4.49Å; V126-F157 PolarHBondContact N-O 3.26Å; V126-F157 PolarHBondContact O-N 2.76Å; I128-F157 HydrophobicContact CD1-CD2 4.11Å; I128-F157 HydrophobicContact CG1-CD2 4.41Å; V137-F157 HydrophobicContact CB-CE2 4.45Å; V137-F157 HydrophobicContact CG1-CE2 4.29Å; V137-F157 HydrophobicContact CG1-CZ 4.22Å; V137-F157 VanDerWaalsContact O-CE2 3.3Å; V137-F157 WeakPolarHBondContact O-CE2 3.37Å; M139-F157 HydrophobicContact CB-CE1 4Å; M139-F157 HydrophobicContact CB-CZ 4.23Å; M139-F157 HydrophobicContact CE-CE1 4.31Å; F157-E159 PolarHBondContact O-N 2.95Å; F157-Y169 HydrophobicContact CB-CD1 4.43Å; F157-E170 CarbonylContact C-O 3.51Å; F157-E170 WeakPolarHBondContact CA-O 3.43Å; F157-I179 HydrophobicContact CD1-CD1 3.83Å; F157-I179 HydrophobicContact CD1-CG1 3.88Å; F157-I179 HydrophobicContact CD2-CD1 4.29Å; F157-I179 HydrophobicContact CE1-CD1 3.79Å; F157-I179 HydrophobicContact CE1-CG1 3.73Å; F157-I179 HydrophobicContact CE2-CD1 4.25Å; F157-I179 HydrophobicContact CG-CD1 4.08Å; F157-I179 HydrophobicContact CZ-CD1 4.01Å; F157-I179 HydrophobicContact CZ-CG1 4.34Å
158K98.4Very high97.6Very high74 Ų7458 Ų5832%0.32230%0.302SS..EExtended strand (participates in β ladder)trans-73.7119168.5-61.9174.9-178174.70108.4G124 V125 I160 Y169 E170 Y172G124-K158 CarbonylContact O-C 3.54Å; G124-K158 WeakPolarHBondContact O-CA 3.19Å; V125-K158 HydrophobicContact CG2-CG 4.17Å; K158-I160 HydrophobicContact CB-CG1 4.41Å; K158-Y169 WeakPolarHBondContact O-CA 3.33Å; K158-E170 HydrophobicContact CB-CB 4.28Å; K158-E170 PolarHBondContact N-O 2.86Å; K158-E170 PolarHBondContact O-N 3.44Å; K158-Y172 HydrophobicContact CG-CD2 4.22Å
159E97.4Very high97.6Very high35 Ų3557.6 Ų57.616%0.16430%0.299CS..EExtended strand (participates in β ladder)trans-85113173.8178.9167.6-119.300108.7R82 G124 V126 F157 N167 Y169R82-E159 IonicContact CZ-OE2 3.4Å; R82-E159 IonicContact NH1-OE1 3.93Å; R82-E159 IonicContact NH1-OE2 3.07Å; R82-E159 PolarHBondContact NH1-OE2 3.49Å; R82-E159 VanDerWaalsContact NH1-OE2 3.07Å; R82-E159 IonicContact NH2-OE1 3.72Å; R82-E159 IonicContact NH2-OE2 2.76Å; R82-E159 PolarHBondContact NH2-OE2 3.46Å; G124-E159 PolarHBondContact O-N 2.98Å; V126-E159 HydrophobicContact CG1-CB 4.28Å; V126-E159 HydrophobicContact CG2-CB 4.23Å; F157-E159 PolarHBondContact O-N 2.95Å; E159-N167 HydrophobicContact CG-CB 4.3Å; E159-N167 PolarHBondContact OE1-ND2 3.02Å; E159-Y169 HydrophobicContact CB-CD1 4.14Å; E159-Y169 HydrophobicContact CB-CE1 3.83Å; E159-Y169 HydrophobicContact CG-CD1 4.38Å; E159-Y169 HydrophobicContact CG-CE1 3.67Å; E159-Y169 VanDerWaalsContact OE1-CE1 3.32Å; E159-Y169 WeakPolarHBondContact OE1-CE1 3.25Å; E159-Y169 PolarHBondContact OE1-OH 2.76Å
160I97.7Very high97.6Very high60 Ų6055.4 Ų55.431%0.30828%0.283SS..EExtended strand (participates in β ladder)trans-114.5118.6-174.8-57.9168.4000108.5K158 L162 N167 A168 E170 F178K158-I160 HydrophobicContact CB-CG1 4.41Å; I160-L162 HydrophobicContact CG2-CD2 4.38Å; I160-L162 PolarHBondContact O-N 2.99Å; I160-N167 CarbonylContact O-C 3.57Å; I160-N167 VanDerWaalsContact O-CA 3.25Å; I160-N167 WeakPolarHBondContact O-CA 3.27Å; I160-A168 PolarHBondContact N-O 2.89Å; I160-A168 PolarHBondContact O-N 3.01Å; I160-E170 HydrophobicContact CD1-CB 4.07Å; I160-F178 HydrophobicContact CD1-CE1 4.33Å
161L97.3Very high97.7Very high120 Ų12048.1 Ų48.163%0.62825%0.25SS*.EExtended strand (participates in β ladder)trans-72.2125170.8-17764.4000109.6N167L161-N167 WeakPolarHBondContact CD1-OD1 3.45Å
162L96.9Very high97.8Very high15 Ų1547.8 Ų47.88%0.07925%0.247CC..  trans-93.4159.8179.9-57.6176.6000111.2I160 N164 N165 Y166 A168 P195 H201I160-L162 HydrophobicContact CG2-CD2 4.38Å; I160-L162 PolarHBondContact O-N 2.99Å; L162-N164 VanDerWaalsContact CB-OD1 3.29Å; L162-N164 WeakPolarHBondContact CB-OD1 3.3Å; L162-N164 PolarHBondContact O-N 2.78Å; L162-N165 PolarHBondContact O-N 3.42Å; L162-Y166 WeakPolarHBondContact CB-O 3.46Å; L162-Y166 WeakPolarHBondContact CG-O 3.24Å; L162-Y166 PolarHBondContact N-O 3.17Å; L162-A168 HydrophobicContact CD1-CB 4.04Å; L162-A168 HydrophobicContact CD2-CB 3.94Å; L162-A168 HydrophobicContact CG-CB 4.15Å; L162-P195 HydrophobicContact CD2-CB 4.07Å; L162-H201 HydrophobicContact CD1-CB 4.41Å; L162-H201 WeakPolarHBondContact CD1-CD2 3.42Å; L162-H201 WeakPolarHBondContact CD1-NE2 3.4Å
163P96.4Very high97.8Very high137 Ų13749.6 Ų49.689%0.8925%0.25SS*.THydrogen-bonded Turntrans-59-17.5179.9-26.535.4000115.5
164N93.4Very high97.8Very high69 Ų6948 Ų4837%0.36924%0.239SC..THydrogen-bonded Turntrans-96.714.217867-13.6000113.4L162 Y166 H201L162-N164 VanDerWaalsContact CB-OD1 3.29Å; L162-N164 WeakPolarHBondContact CB-OD1 3.3Å; L162-N164 PolarHBondContact O-N 2.78Å; N164-Y166 WeakPolarHBondContact O-CD2 3.5Å; N164-Y166 PolarHBondContact O-N 2.92Å; N164-Y166 PolarHBondContact OD1-N 2.79Å; N164-H201 PolarHBondContact ND2-CE1 3.27Å; N164-H201 PolarHBondContact ND2-ND1 2.83Å
165N94.5Very high97.8Very high123 Ų12351.1 Ų51.166%0.65826%0.261SS*.SBendtrans64.317.9-178.7-54.4-40.3000115.1L162L162-N165 PolarHBondContact O-N 3.42Å
166Y98.2Very high97.8Very high47 Ų4753.1 Ų53.118%0.18428%0.281CS..  trans-94.4162.2164-75.3-111.2000109.5N89 L162 N164 H201 L203N89-Y166 HydrophobicContact CB-CE1 4.2Å; L162-Y166 WeakPolarHBondContact CB-O 3.46Å; L162-Y166 WeakPolarHBondContact CG-O 3.24Å; L162-Y166 PolarHBondContact N-O 3.17Å; N164-Y166 WeakPolarHBondContact O-CD2 3.5Å; N164-Y166 PolarHBondContact O-N 2.92Å; N164-Y166 PolarHBondContact OD1-N 2.79Å; Y166-H201 HydrophobicContact CD1-CB 3.82Å; Y166-H201 HydrophobicContact CG-CB 3.95Å; Y166-L203 HydrophobicContact CD1-CB 3.87Å; Y166-L203 HydrophobicContact CE1-CB 3.69Å
167N98.3Very high97.8Very high19 Ų1953.3 Ų53.310%0.10228%0.282CS..EExtended strand (participates in β ladder)trans-100.1146.5170.5-65.3-10.3000110.6E159 I160 L161 Y169 F202E159-N167 HydrophobicContact CG-CB 4.3Å; E159-N167 PolarHBondContact OE1-ND2 3.02Å; I160-N167 CarbonylContact O-C 3.57Å; I160-N167 VanDerWaalsContact O-CA 3.25Å; I160-N167 WeakPolarHBondContact O-CA 3.27Å; L161-N167 WeakPolarHBondContact CD1-OD1 3.45Å; N167-Y169 HydrophobicContact CB-CE2 4.12Å; N167-F202 PolarHBondContact N-O 3.25Å; N167-F202 PolarHBondContact O-N 2.87Å
168A98.6Very high97.8Very high0 Ų053.9 Ų53.90%029%0.285CS..EExtended strand (participates in β ladder)trans-108.7148.416000000109.5I160 L162 F178 P195I160-A168 PolarHBondContact N-O 2.89Å; I160-A168 PolarHBondContact O-N 3.01Å; L162-A168 HydrophobicContact CD1-CB 4.04Å; L162-A168 HydrophobicContact CD2-CB 3.94Å; L162-A168 HydrophobicContact CG-CB 4.15Å; A168-F178 HydrophobicContact CB-CD1 4.16Å; A168-F178 HydrophobicContact CB-CE1 4.45Å; A168-P195 HydrophobicContact CB-CB 4.46Å
169Y98.8Very high97.8Very high0 Ų050.4 Ų50.40%027%0.27CS..EExtended strand (participates in β ladder)trans-118.1103178.5-63.6-79.8000109.2L86 L118 V126 I128 F157 K158 E159 N167 F178 I179 F202L86-Y169 HydrophobicContact CD1-CD2 4.4Å; L86-Y169 HydrophobicContact CD1-CE2 3.82Å; L86-Y169 HydrophobicContact CD2-CE2 3.97Å; L86-Y169 WeakPolarHBondContact CD2-OH 3.33Å; L86-Y169 HydrophobicContact CG-CE2 4.47Å; L118-Y169 HydrophobicContact CD2-CE1 4.41Å; V126-Y169 HydrophobicContact CG2-CD1 4.07Å; V126-Y169 HydrophobicContact CG2-CE1 3.99Å; I128-Y169 HydrophobicContact CD1-CD1 4.1Å; I128-Y169 HydrophobicContact CD1-CE1 4.42Å; I128-Y169 HydrophobicContact CD1-CG 4.29Å; F157-Y169 HydrophobicContact CB-CD1 4.43Å; K158-Y169 WeakPolarHBondContact O-CA 3.33Å; E159-Y169 HydrophobicContact CB-CD1 4.14Å; E159-Y169 HydrophobicContact CB-CE1 3.83Å; E159-Y169 HydrophobicContact CG-CD1 4.38Å; E159-Y169 HydrophobicContact CG-CE1 3.67Å; E159-Y169 VanDerWaalsContact OE1-CE1 3.32Å; E159-Y169 WeakPolarHBondContact OE1-CE1 3.25Å; E159-Y169 PolarHBondContact OE1-OH 2.76Å; N167-Y169 HydrophobicContact CB-CE2 4.12Å; Y169-F178 WeakPolarHBondContact O-CA 3.5Å; Y169-I179 HydrophobicContact CG-CD1 4.29Å; Y169-I179 PolarHBondContact O-N 3.13Å; Y169-F202 HydrophobicContact CD2-CB 4.33Å; Y169-F202 HydrophobicContact CD2-CD2 4.08Å; Y169-F202 HydrophobicContact CD2-CG 4.4Å; Y169-F202 HydrophobicContact CE2-CB 3.86Å; Y169-F202 HydrophobicContact CE2-CD2 4.45Å; Y169-F202 HydrophobicContact CE2-CG 4.36Å
170E98.8Very high97.9Very high29 Ų2948.7 Ų48.714%0.13626%0.262CS..EExtended strand (participates in β ladder)trans-89.4137.8178-170.3-173.4-16400109.9F157 K158 I160 Y172 P175 G176 M177 F178F157-E170 CarbonylContact C-O 3.51Å; F157-E170 WeakPolarHBondContact CA-O 3.43Å; K158-E170 HydrophobicContact CB-CB 4.28Å; K158-E170 PolarHBondContact N-O 2.86Å; K158-E170 PolarHBondContact O-N 3.44Å; I160-E170 HydrophobicContact CD1-CB 4.07Å; E170-Y172 PolarHBondContact O-N 3.02Å; E170-P175 WeakPolarHBondContact OE1-CA 3.48Å; E170-G176 PolarHBondContact OE1-N 3.4Å; E170-M177 CarbonylContact C-O 3.5Å; E170-M177 WeakPolarHBondContact CA-O 3.29Å; E170-F178 HydrophobicContact CB-CD1 3.86Å; E170-F178 HydrophobicContact CB-CE1 3.55Å; E170-F178 HydrophobicContact CB-CZ 4.13Å; E170-F178 HydrophobicContact CG-CD1 4.28Å; E170-F178 HydrophobicContact CG-CE1 3.8Å; E170-F178 HydrophobicContact CG-CE2 4.39Å; E170-F178 HydrophobicContact CG-CZ 3.84Å
171S98.8Very high97.9Very high0 Ų045.9 Ų45.90%025%0.247CC..EExtended strand (participates in β ladder)trans-60.4127.5173178.80000110.3Y174 M177S171-Y174 WeakPolarHBondContact CB-O 3.41Å; S171-Y174 CarbonylContact O-C 3.54Å; S171-Y174 PolarHBondContact OG-N 3.5Å; S171-Y174 VanDerWaalsContact OG-N 3.13Å; S171-M177 PolarHBondContact N-O 2.82Å
172Y98.4Very high97.9Very high88 Ų8841.2 Ų41.235%0.34523%0.225SC..SBendtrans-66.2-44.7175.9-177.3-98.3000111.4V125 K156 K158 E170V125-Y172 HydrophobicContact CG1-CD2 4.06Å; V125-Y172 HydrophobicContact CG1-CG 4.4Å; V125-Y172 HydrophobicContact CG2-CD2 3.8Å; V125-Y172 HydrophobicContact CG2-CE2 4Å; K156-Y172 HydrophobicContact CB-CD1 4.18Å; K156-Y172 HydrophobicContact CB-CG 3.99Å; K156-Y172 HydrophobicContact CD-CD1 3.97Å; K156-Y172 HydrophobicContact CD-CE1 4.37Å; K156-Y172 HydrophobicContact CD-CG 4.46Å; K156-Y172 WeakPolarHBondContact O-CB 3.3Å; K156-Y172 PolarHBondContact O-N 3.49Å; K158-Y172 HydrophobicContact CG-CD2 4.22Å; E170-Y172 PolarHBondContact O-N 3.02Å
173K98.4Very high98Very high94 Ų9448.4 Ų48.441%0.40926%0.255SS..SBendtrans-72.9-31.7-179.7-169.4-178.8-178.9-1710113.3D153 E154 P175D153-K173 HydrophobicContact CB-CB 4.43Å; D153-K173 HydrophobicContact CB-CD 4.17Å; D153-K173 HydrophobicContact CB-CG 4.49Å; E154-K173 HydrophobicContact CG-CD 3.51Å; E154-K173 IonicContact OE1-NZ 2.92Å; E154-K173 PolarHBondContact OE1-NZ 3.4Å; K173-P175 WeakPolarHBondContact O-CD 3.42Å
174Y98.7Very high98Very high49 Ų4946.6 Ų46.619%0.19224%0.238CC..SBendtrans-124.677.7-177.9-54.2-62.3000111.3M139 S141 E154 S171 M177M139-Y174 WeakPolarHBondContact O-CE2 3.43Å; S141-Y174 VanDerWaalsContact CA-CZ 3.5Å; E154-Y174 HydrophobicContact CG-CE2 3.96Å; E154-Y174 PolarHBondContact OE1-OH 3.43Å; S171-Y174 WeakPolarHBondContact CB-O 3.41Å; S171-Y174 CarbonylContact O-C 3.54Å; S171-Y174 PolarHBondContact OG-N 3.5Å; S171-Y174 VanDerWaalsContact OG-N 3.13Å; Y174-M177 WeakPolarHBondContact O-CB 3.19Å; Y174-M177 PolarHBondContact O-N 2.97Å
175P98.1Very high98.2Very high89 Ų8943.5 Ų43.558%0.57822%0.223SC*.THydrogen-bonded Turntrans-53.2146.2179.1-26.335.1000112.8E170 K173 M177E170-P175 WeakPolarHBondContact OE1-CA 3.48Å; K173-P175 WeakPolarHBondContact O-CD 3.42Å; P175-M177 VanDerWaalsContact C-N 3.28Å
176G98.3Very high98.3Very high41 Ų4144.4 Ų44.442%0.42322%0.221SC..THydrogen-bonded Turntrans82.5-3.8-173.700000114.6E170 F178E170-G176 PolarHBondContact OE1-N 3.4Å; G176-F178 WeakPolarHBondContact O-CD2 3.37Å; G176-F178 WeakPolarHBondContact O-CE2 3.45Å
177M98.8Very high98.4Very high30 Ų3044.5 Ų44.515%0.14823%0.226CC..  trans-104.1130.7175.8-54.9-165.5-16800111.7M139 E170 S171 Y174 P175 G190 N191M139-M177 HydrophobicContact SD-CB 3.48Å; M139-M177 WeakPolarHBondContact SD-CB 3.45Å; M139-M177 HydrophobicContact SD-SD 4.37Å; E170-M177 CarbonylContact C-O 3.5Å; E170-M177 WeakPolarHBondContact CA-O 3.29Å; S171-M177 PolarHBondContact N-O 2.82Å; Y174-M177 WeakPolarHBondContact O-CB 3.19Å; Y174-M177 PolarHBondContact O-N 2.97Å; P175-M177 VanDerWaalsContact C-N 3.28Å; M177-G190 WeakPolarHBondContact CA-O 3.41Å; M177-N191 HydrophobicContact CE-CB 3.97Å; M177-N191 HydrophobicContact CG-CB 4.12Å; M177-N191 HydrophobicContact SD-CB 3.99Å
178F98.9Very high98.4Very high13 Ų1347 Ų476%0.05724%0.236CC..BIsolated β-bridgetrans-121.1145.4-173.2-61.5-95.1000113M139 I160 A168 Y169 E170 G176 A180 G190 V193 P195 T200M139-F178 WeakPolarHBondContact CE-O 3.3Å; I160-F178 HydrophobicContact CD1-CE1 4.33Å; A168-F178 HydrophobicContact CB-CD1 4.16Å; A168-F178 HydrophobicContact CB-CE1 4.45Å; Y169-F178 WeakPolarHBondContact O-CA 3.5Å; E170-F178 HydrophobicContact CB-CD1 3.86Å; E170-F178 HydrophobicContact CB-CE1 3.55Å; E170-F178 HydrophobicContact CB-CZ 4.13Å; E170-F178 HydrophobicContact CG-CD1 4.28Å; E170-F178 HydrophobicContact CG-CE1 3.8Å; E170-F178 HydrophobicContact CG-CE2 4.39Å; E170-F178 HydrophobicContact CG-CZ 3.84Å; G176-F178 WeakPolarHBondContact O-CD2 3.37Å; G176-F178 WeakPolarHBondContact O-CE2 3.45Å; F178-A180 PolarHBondContact O-N 2.81Å; F178-G190 PolarHBondContact N-O 3.42Å; F178-G190 VanDerWaalsContact O-CA 3.27Å; F178-G190 WeakPolarHBondContact O-CA 3.43Å; F178-V193 HydrophobicContact CB-CG2 3.99Å; F178-P195 HydrophobicContact CE1-CB 4.18Å; F178-P195 HydrophobicContact CE1-CG 4.25Å; F178-P195 HydrophobicContact CE2-CG 4.44Å; F178-P195 HydrophobicContact CZ-CB 4.37Å; F178-P195 HydrophobicContact CZ-CG 3.95Å; F178-T200 HydrophobicContact CB-CG2 3.71Å; F178-T200 HydrophobicContact CG-CG2 4.41Å
179I98.9Very high98.4Very high0 Ų051.7 Ų51.70%026%0.257CS..  trans-58.4134.2165.4-58-171.2000107.7L96 I128 V137 M139 L145 F157 Y169 T200 F202L96-I179 HydrophobicContact CD1-CG2 4.25Å; L96-I179 HydrophobicContact CD2-CG2 4.22Å; I128-I179 HydrophobicContact CD1-CD1 3.75Å; V137-I179 HydrophobicContact CG1-CD1 4.24Å; M139-I179 HydrophobicContact CE-CG1 4.34Å; L145-I179 HydrophobicContact CD1-CB 4.49Å; L145-I179 HydrophobicContact CD1-CG2 3.86Å; L145-I179 HydrophobicContact CD2-CG1 4.14Å; F157-I179 HydrophobicContact CD1-CD1 3.83Å; F157-I179 HydrophobicContact CD1-CG1 3.88Å; F157-I179 HydrophobicContact CD2-CD1 4.29Å; F157-I179 HydrophobicContact CE1-CD1 3.79Å; F157-I179 HydrophobicContact CE1-CG1 3.73Å; F157-I179 HydrophobicContact CE2-CD1 4.25Å; F157-I179 HydrophobicContact CG-CD1 4.08Å; F157-I179 HydrophobicContact CZ-CD1 4.01Å; F157-I179 HydrophobicContact CZ-CG1 4.34Å; Y169-I179 HydrophobicContact CG-CD1 4.29Å; Y169-I179 PolarHBondContact O-N 3.13Å; I179-T200 WeakPolarHBondContact O-CA 3.42Å; I179-F202 HydrophobicContact CB-CE2 4.22Å; I179-F202 HydrophobicContact CG2-CE2 3.82Å; I179-F202 HydrophobicContact CG2-CZ 3.73Å; I179-F202 WeakPolarHBondContact O-CE2 3.25Å
180A98.8Very high98.3Very high0 Ų051.7 Ų51.70%026%0.257CS..  trans-153.2141.6178.900000113.6F178 T187 K188 V193 V199 T200F178-A180 PolarHBondContact O-N 2.81Å; A180-T187 WeakPolarHBondContact O-CA 3.45Å; A180-K188 HydrophobicContact CB-CB 3.95Å; A180-K188 PolarHBondContact O-N 2.8Å; A180-V193 HydrophobicContact CB-CB 4.27Å; A180-V193 HydrophobicContact CB-CG1 3.88Å; A180-V193 HydrophobicContact CB-CG2 3.92Å; A180-V199 CarbonylContact C-O 3.4Å; A180-V199 WeakPolarHBondContact CA-O 3.15Å; A180-V199 HydrophobicContact CB-CB 4.49Å; A180-V199 HydrophobicContact CB-CG2 4.31Å; A180-V199 WeakPolarHBondContact CB-O 3.16Å; A180-T200 HydrophobicContact CB-CG2 4.02Å
181L98.7Very high98.3Very high0 Ų054.5 Ų54.50%027%0.273CS..BIsolated β-bridgetrans-112.3135.9170-64.5-179.7000109.9C88 F94 L96 T187 V199 F202C88-L181 HydrophobicContact CB-CB 4.34Å; C88-L181 HydrophobicContact CB-CD1 4.12Å; F94-L181 HydrophobicContact CB-CD1 3.91Å; L96-L181 HydrophobicContact CD1-CD1 4.41Å; L96-L181 HydrophobicContact CD1-CD2 4.04Å; L96-L181 HydrophobicContact CD1-CG 4.35Å; L181-T187 HydrophobicContact CD2-CG2 4.15Å; L181-V199 PolarHBondContact N-O 3.49Å; L181-V199 WeakPolarHBondContact O-CB 3.35Å; L181-V199 WeakPolarHBondContact O-CG1 3.28Å; L181-F202 HydrophobicContact CD1-CE1 3.93Å; L181-F202 HydrophobicContact CD1-CZ 4.45Å; L181-F202 HydrophobicContact CG-CE1 4.05Å; L181-F202 HydrophobicContact CG-CZ 4.06Å
182S98.2Very high98.3Very high22 Ų2262.9 Ų62.915%0.15430%0.304CS..  trans-80.8170.3173.660.40000111.4N184 G185 K186S182-N184 PolarHBondContact O-N 2.96Å; S182-N184 PolarHBondContact OG-OD1 2.77Å; S182-G185 PolarHBondContact O-N 2.73Å; S182-K186 WeakPolarHBondContact CB-O 3.31Å; S182-K186 PolarHBondContact N-O 3.03Å; S182-K186 PolarHBondContact OG-N 2.7Å; S182-K186 PolarHBondContact OG-O 2.87Å
183K97.7Very high98.3Very high166 Ų16659.2 Ų59.272%0.72229%0.291SS*.THydrogen-bonded Turntrans-60.4-12.3-178.8-61.5-176.9-179.3-177.60114.6F94F94-K183 VanDerWaalsContact CE2-O 3.29Å; F94-K183 WeakPolarHBondContact CE2-O 3.18Å
184N97.3Very high98.3Very high99 Ų9956.5 Ų56.553%0.52928%0.284SS..THydrogen-bonded Turntrans-108.714.9176.366.710000112.9S182 K186S182-N184 PolarHBondContact O-N 2.96Å; S182-N184 PolarHBondContact OG-OD1 2.77Å; N184-K186 VanDerWaalsContact C-N 3.28Å; N184-K186 PolarHBondContact O-N 3.38Å; N184-K186 WeakPolarHBondContact OD1-CB 3.36Å; N184-K186 WeakPolarHBondContact OD1-CG 3.38Å; N184-K186 PolarHBondContact OD1-N 2.98Å; N184-K186 VanDerWaalsContact OD1-N 3.15Å
185G96.4Very high98.2Very high4 Ų456.5 Ų56.54%0.04129%0.29CS..SBendtrans79.2-0.8178.600000115F94 G106 S182F94-G185 VanDerWaalsContact CZ-N 3.33Å; G106-G185 VanDerWaalsContact CA-O 3.28Å; G106-G185 WeakPolarHBondContact CA-O 3.32Å; G106-G185 PolarHBondContact N-O 2.87Å; S182-G185 PolarHBondContact O-N 2.73Å
186K98.2Very high98.2Very high143 Ų14358 Ų5862%0.62230%0.298SS*.PPolyproline II helixtrans-80.6145.8176.1-62.6-178.1-178.8-179.10111.5S182 N184S182-K186 WeakPolarHBondContact CB-O 3.31Å; S182-K186 PolarHBondContact N-O 3.03Å; S182-K186 PolarHBondContact OG-N 2.7Å; S182-K186 PolarHBondContact OG-O 2.87Å; N184-K186 VanDerWaalsContact C-N 3.28Å; N184-K186 PolarHBondContact O-N 3.38Å; N184-K186 WeakPolarHBondContact OD1-CB 3.36Å; N184-K186 WeakPolarHBondContact OD1-CG 3.38Å; N184-K186 PolarHBondContact OD1-N 2.98Å; N184-K186 VanDerWaalsContact OD1-N 3.15Å
187T98.4Very high98.2Very high48 Ų4859.3 Ų59.329%0.29429%0.294SS..BIsolated β-bridgetrans-63.3141.3173.957.50000111.7I104 L145 A180 L181I104-T187 HydrophobicContact CB-CG2 4.18Å; I104-T187 HydrophobicContact CG2-CG2 3.98Å; I104-T187 WeakPolarHBondContact O-CG2 3.46Å; L145-T187 HydrophobicContact CB-CG2 4.22Å; L145-T187 HydrophobicContact CD1-CG2 3.88Å; A180-T187 WeakPolarHBondContact O-CA 3.45Å; L181-T187 HydrophobicContact CD2-CG2 4.15Å
188K98.5Very high98.1Very high71 Ų7165.1 Ų65.131%0.30932%0.318SS..PPolyproline II helixtrans-98.6157.8169.5-62.9-17263.7142.10110.7A180 G190 V193 V199A180-K188 HydrophobicContact CB-CB 3.95Å; A180-K188 PolarHBondContact O-N 2.8Å; K188-G190 PolarHBondContact O-N 2.99Å; K188-V193 HydrophobicContact CB-CG1 4.04Å; K188-V193 HydrophobicContact CD-CG1 4.08Å; K188-V199 HydrophobicContact CD-CB 4.31Å; K188-V199 HydrophobicContact CD-CG1 4.39Å; K188-V199 HydrophobicContact CD-CG2 4.17Å
189K98.6Very high98.1Very high100 Ų10065.3 Ų65.344%0.43532%0.32SS..PPolyproline II helixtrans-69.4128171.3-64.6-172.6178.3-177.20109.5G143 N191 R192G143-K189 CarbonylContact O-C 3.57Å; G143-K189 VanDerWaalsContact O-CA 3.29Å; G143-K189 WeakPolarHBondContact O-CA 3.41Å; K189-N191 WeakPolarHBondContact CB-OD1 3.39Å; K189-N191 PolarHBondContact O-N 2.98Å; K189-R192 HydrophobicContact CB-CG 4.23Å; K189-R192 PolarHBondContact O-N 2.76Å
190G98.5Very high98.1Very high0 Ų065.3 Ų65.30%032%0.32CS..G310 helixtrans-59.4-32.9-176.700000113.7G143 M177 F178 K188 R192 V193G143-G190 PolarHBondContact O-N 3.02Å; M177-G190 WeakPolarHBondContact CA-O 3.41Å; F178-G190 PolarHBondContact N-O 3.42Å; F178-G190 VanDerWaalsContact O-CA 3.27Å; F178-G190 WeakPolarHBondContact O-CA 3.43Å; K188-G190 PolarHBondContact O-N 2.99Å; G190-R192 PolarHBondContact O-N 2.79Å; G190-V193 WeakPolarHBondContact O-CG2 3.45Å; G190-V193 PolarHBondContact O-N 3.02Å
191N98.3Very high98.1Very high87 Ų8766.2 Ų66.247%0.46533%0.325SS..G310 helixtrans-76.44.9176.170.5-21000114.8M177 K189M177-N191 HydrophobicContact CE-CB 3.97Å; M177-N191 HydrophobicContact CG-CB 4.12Å; M177-N191 HydrophobicContact SD-CB 3.99Å; K189-N191 WeakPolarHBondContact CB-OD1 3.39Å; K189-N191 PolarHBondContact O-N 2.98Å
192R98.3Very high98.1Very high176 Ų17666.2 Ų66.266%0.66433%0.325SS*.G310 helixtrans-120.515.3178.5-62.3-174.6176.4-172.2-5112.5K189 G190K189-R192 HydrophobicContact CB-CG 4.23Å; K189-R192 PolarHBondContact O-N 2.76Å; G190-R192 PolarHBondContact O-N 2.79Å
193V98.5Very high98.1Very high11 Ų1168.1 Ų68.17%0.06733%0.333CS..  trans-137.9158-177.1-66.40000110F178 A180 K188 G190 M197 V199 T200F178-V193 HydrophobicContact CB-CG2 3.99Å; A180-V193 HydrophobicContact CB-CB 4.27Å; A180-V193 HydrophobicContact CB-CG1 3.88Å; A180-V193 HydrophobicContact CB-CG2 3.92Å; K188-V193 HydrophobicContact CB-CG1 4.04Å; K188-V193 HydrophobicContact CD-CG1 4.08Å; G190-V193 WeakPolarHBondContact O-CG2 3.45Å; G190-V193 PolarHBondContact O-N 3.02Å; V193-M197 HydrophobicContact CB-SD 4.21Å; V193-M197 HydrophobicContact CG1-CE 4.35Å; V193-M197 HydrophobicContact CG1-SD 4.4Å; V193-V199 HydrophobicContact CB-CG2 4.49Å; V193-V199 HydrophobicContact CG1-CG2 3.91Å; V193-T200 HydrophobicContact CB-CG2 3.7Å; V193-T200 HydrophobicContact CG2-CG2 3.77Å
194S98Very high98Very high38 Ų3862.2 Ų62.227%0.26631%0.311SS..  trans-136.1162.8179.466.70000110.1T196 M197 T200S194-T196 PolarHBondContact O-N 2.94Å; S194-T196 PolarHBondContact OG-OG1 3.46Å; S194-M197 PolarHBondContact O-N 3.23Å; S194-M197 VanDerWaalsContact O-N 3.08Å; S194-M197 WeakPolarHBondContact OG-CG 3.44Å; S194-T200 VanDerWaalsContact O-CG2 3.3Å; S194-T200 WeakPolarHBondContact O-CG2 3.38Å; S194-T200 PolarHBondContact O-OG1 3Å
195P97.1Very high97.9Very high49 Ų4962.4 Ų62.432%0.31831%0.305SS..THydrogen-bonded Turntrans-68.4-12.617927-34000113.1L162 A168 F178 M197 H201L162-P195 HydrophobicContact CD2-CB 4.07Å; A168-P195 HydrophobicContact CB-CB 4.46Å; F178-P195 HydrophobicContact CE1-CB 4.18Å; F178-P195 HydrophobicContact CE1-CG 4.25Å; F178-P195 HydrophobicContact CE2-CG 4.44Å; F178-P195 HydrophobicContact CZ-CB 4.37Å; F178-P195 HydrophobicContact CZ-CG 3.95Å; P195-M197 VanDerWaalsContact C-N 3.31Å; P195-H201 PolarHBondContact O-NE2 3.33Å
196T97.3Very high97.4Very high121 Ų12169.8 Ų69.874%0.74234%0.342SS*.THydrogen-bonded Turntrans-76.3-18.7172.355.10000113S194S194-T196 PolarHBondContact O-N 2.94Å; S194-T196 PolarHBondContact OG-OG1 3.46Å
197M98.3Very high97.3Very high68 Ų6866.2 Ų66.234%0.33533%0.328SS..SBendtrans-89.6127.2-178.2-58.7169.869.300111.3V193 S194 P195 V199 T200 H201V193-M197 HydrophobicContact CB-SD 4.21Å; V193-M197 HydrophobicContact CG1-CE 4.35Å; V193-M197 HydrophobicContact CG1-SD 4.4Å; S194-M197 PolarHBondContact O-N 3.23Å; S194-M197 VanDerWaalsContact O-N 3.08Å; S194-M197 WeakPolarHBondContact OG-CG 3.44Å; P195-M197 VanDerWaalsContact C-N 3.31Å; M197-V199 HydrophobicContact CB-CG2 3.81Å; M197-V199 HydrophobicContact CE-CG2 3.96Å; M197-V199 PolarHBondContact O-N 2.89Å; M197-T200 PolarHBondContact O-N 3.2Å; M197-T200 PolarHBondContact O-OG1 3.27Å; M197-H201 PolarHBondContact O-CD2 3.19Å
198K98.1Very high97.3Very high151 Ų15167.1 Ų67.166%0.65733%0.33SS*.G310 helixtrans-53.4-22.8179.3-65.1-173.1178.1-176.20115.5V90 T200 H201V90-K198 HydrophobicContact CG1-CB 4.25Å; K198-T200 PolarHBondContact O-N 2.97Å; K198-H201 WeakPolarHBondContact O-CB 3.36Å; K198-H201 PolarHBondContact O-N 3.08Å; K198-H201 VanDerWaalsContact O-N 3.13Å
199V98.6Very high97.2Very high18 Ų1866.9 Ų66.911%0.10933%0.331CS..G310 helixtrans-64.7-15.7176.3-62.30000114.2V90 A180 L181 K188 V193 M197V90-V199 HydrophobicContact CG1-CG1 4.09Å; A180-V199 CarbonylContact C-O 3.4Å; A180-V199 WeakPolarHBondContact CA-O 3.15Å; A180-V199 HydrophobicContact CB-CB 4.49Å; A180-V199 HydrophobicContact CB-CG2 4.31Å; A180-V199 WeakPolarHBondContact CB-O 3.16Å; L181-V199 PolarHBondContact N-O 3.49Å; L181-V199 WeakPolarHBondContact O-CB 3.35Å; L181-V199 WeakPolarHBondContact O-CG1 3.28Å; K188-V199 HydrophobicContact CD-CB 4.31Å; K188-V199 HydrophobicContact CD-CG1 4.39Å; K188-V199 HydrophobicContact CD-CG2 4.17Å; V193-V199 HydrophobicContact CB-CG2 4.49Å; V193-V199 HydrophobicContact CG1-CG2 3.91Å; M197-V199 HydrophobicContact CB-CG2 3.81Å; M197-V199 HydrophobicContact CE-CG2 3.96Å; M197-V199 PolarHBondContact O-N 2.89Å
200T98.7Very high97.1Very high0 Ų064.9 Ų64.90%033%0.325CS..G310 helixtrans-99.9-1.4175.858.30000112.8F178 I179 A180 V193 S194 M197 K198 F202F178-T200 HydrophobicContact CB-CG2 3.71Å; F178-T200 HydrophobicContact CG-CG2 4.41Å; I179-T200 WeakPolarHBondContact O-CA 3.42Å; A180-T200 HydrophobicContact CB-CG2 4.02Å; V193-T200 HydrophobicContact CB-CG2 3.7Å; V193-T200 HydrophobicContact CG2-CG2 3.77Å; S194-T200 VanDerWaalsContact O-CG2 3.3Å; S194-T200 WeakPolarHBondContact O-CG2 3.38Å; S194-T200 PolarHBondContact O-OG1 3Å; M197-T200 PolarHBondContact O-N 3.2Å; M197-T200 PolarHBondContact O-OG1 3.27Å; K198-T200 PolarHBondContact O-N 2.97Å; T200-F202 VanDerWaalsContact O-CD2 3.24Å; T200-F202 WeakPolarHBondContact O-CD2 3.29Å
201H98.7Very high97Very high19 Ų1969 Ų699%0.08835%0.345CS..  trans-91.5121.8-173.7-61.2-175.2000109.5C88 L162 N164 Y166 P195 M197 K198C88-H201 WeakPolarHBondContact CA-O 3.21Å; C88-H201 PolarHBondContact SG-O 2.83Å; L162-H201 HydrophobicContact CD1-CB 4.41Å; L162-H201 WeakPolarHBondContact CD1-CD2 3.42Å; L162-H201 WeakPolarHBondContact CD1-NE2 3.4Å; N164-H201 PolarHBondContact ND2-CE1 3.27Å; N164-H201 PolarHBondContact ND2-ND1 2.83Å; Y166-H201 HydrophobicContact CD1-CB 3.82Å; Y166-H201 HydrophobicContact CG-CB 3.95Å; P195-H201 PolarHBondContact O-NE2 3.33Å; M197-H201 PolarHBondContact O-CD2 3.19Å; K198-H201 WeakPolarHBondContact O-CB 3.36Å; K198-H201 PolarHBondContact O-N 3.08Å; K198-H201 VanDerWaalsContact O-N 3.13Å
202F98.8Very high97Very high0 Ų067.8 Ų67.80%034%0.337CS..BIsolated β-bridgetrans-125.1132.4179.3-66.6-90.8000110.7L86 Y87 C88 L96 N167 Y169 I179 L181 T200L86-F202 HydrophobicContact CB-CB 4.29Å; L86-F202 HydrophobicContact CB-CD1 3.91Å; L86-F202 HydrophobicContact CB-CG 4.4Å; Y87-F202 CarbonylContact O-C 3.58Å; Y87-F202 VanDerWaalsContact O-CA 3.3Å; Y87-F202 WeakPolarHBondContact O-CA 3.36Å; C88-F202 HydrophobicContact CB-CD1 3.81Å; C88-F202 HydrophobicContact CB-CE1 3.62Å; C88-F202 HydrophobicContact CB-CZ 4.22Å; L96-F202 HydrophobicContact CB-CE1 4.28Å; N167-F202 PolarHBondContact N-O 3.25Å; N167-F202 PolarHBondContact O-N 2.87Å; Y169-F202 HydrophobicContact CD2-CB 4.33Å; Y169-F202 HydrophobicContact CD2-CD2 4.08Å; Y169-F202 HydrophobicContact CD2-CG 4.4Å; Y169-F202 HydrophobicContact CE2-CB 3.86Å; Y169-F202 HydrophobicContact CE2-CD2 4.45Å; Y169-F202 HydrophobicContact CE2-CG 4.36Å; I179-F202 HydrophobicContact CB-CE2 4.22Å; I179-F202 HydrophobicContact CG2-CE2 3.82Å; I179-F202 HydrophobicContact CG2-CZ 3.73Å; I179-F202 WeakPolarHBondContact O-CE2 3.25Å; L181-F202 HydrophobicContact CD1-CE1 3.93Å; L181-F202 HydrophobicContact CD1-CZ 4.45Å; L181-F202 HydrophobicContact CG-CE1 4.05Å; L181-F202 HydrophobicContact CG-CZ 4.06Å; T200-F202 VanDerWaalsContact O-CD2 3.24Å; T200-F202 WeakPolarHBondContact O-CD2 3.29Å
203L98Very high96.9Very high62 Ų6260.1 Ų60.133%0.32531%0.314SS..EExtended strand (participates in β ladder)trans-100.5116.1172.6-179.965.1000108.5Y87 Y166 R205Y87-L203 PolarHBondContact N-O 3.38Å; Y87-L203 PolarHBondContact O-N 3.15Å; Y166-L203 HydrophobicContact CD1-CB 3.87Å; Y166-L203 HydrophobicContact CE1-CB 3.69Å; L203-R205 HydrophobicContact CD2-CG 4.34Å; L203-R205 HydrophobicContact CG-CG 4.25Å; L203-R205 PolarHBondContact O-N 2.71Å
204P96.4Very high96.7Very high41 Ų4163.8 Ų63.827%0.26633%0.333SS..EExtended strand (participates in β ladder)trans-66.1121.2170.8-20.133.2000110.9R84 R85 L86R84-P204 HydrophobicContact CB-CB 4.36Å; R84-P204 HydrophobicContact CG-CB 4.25Å; R85-P204 CarbonylContact O-C 3.52Å; R85-P204 WeakPolarHBondContact O-CA 3.34Å; L86-P204 HydrophobicContact CD2-CB 4.19Å; L86-P204 HydrophobicContact CD2-CG 4.05Å
205R94.4Very high96.6Very high104 Ų10466 Ų6639%0.39234%0.339SS..EExtended strand (participates in β ladder)trans-118.2152178.5-62.2179.568.4-161.50.4110.7R84 R85 H95 L203R84-R205 CarbonylContact C-O 3.58Å; R84-R205 WeakPolarHBondContact CA-O 3.42Å; R84-R205 WeakPolarHBondContact CB-O 3.39Å; R84-R205 WeakPolarHBondContact CD-O 3.4Å; R85-R205 PolarHBondContact N-O 2.86Å; R85-R205 PolarHBondContact O-N 2.94Å; H95-R205 PolarHBondContact CE1-NH1 3.35Å; H95-R205 PolarHBondContact NE2-NH1 3.38Å; H95-R205 VanDerWaalsContact NE2-NH1 3.12Å; L203-R205 HydrophobicContact CD2-CG 4.34Å; L203-R205 HydrophobicContact CG-CG 4.25Å; L203-R205 PolarHBondContact O-N 2.71Å
206L85.3Confident96.6Very high159 Ų15967.5 Ų67.583%0.83234%0.341SS*.  trans-74.50170.7-73.4168.3000111R84 R85R84-L206 VanDerWaalsContact CZ-CD2 3.41Å; R85-L206 PolarHBondContact NH1-OXT 2.98Å

Retrieved 206 of 206 residues in 165 ms (Link to these results)