A0A087XY07_POEFO Loading...

Vascular endothelial growth factor C

Growth factor active in angiogenesis, and endothelial cell growth, stimulating their proliferation and migration and also has effects on the permeability of blood vessels. May function in angiogenesis of the venous and lymphatic vascular systems during embryogenesis, and also in the maintenance of differentiated lymphatic endothelium in adults. Binds and activates KDR/VEGFR2 and FLT4/VEGFR3 receptors.

AlphaFold DB , UniProt , Accession A0A087XY07, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 420 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
1M57.7Low60.1Low227 Ų227121.5 Ų121.5100%1.11866%0.656SS**  0-7.40-67.1-60.1-164.600115
2H54.1Low60.5Low172 Ų172124.8 Ų124.880%0.79665%0.654SS**  trans-102.6-5176.5-87.8-71.1000116.2I6H2-I6 WeakPolarHBondContact O-CD1 3.2Å
3L55.6Low60.2Low152 Ų152121.8 Ų121.880%0.79664%0.638SS**SBendtrans-94.4-22-178.6-76.1159.1000114.1
4L55.8Low60Low134 Ų134121.6 Ų121.670%0.70264%0.637SS**Hα-helixtrans-76.7-30.6178.9-115.7143.7000112.7
5G58.9Low59.7Low45 Ų45126.9 Ų126.946%0.46465%0.647SS.*Hα-helixtrans-72.6-30.8177.900000114.1F9G5-F9 PolarHBondContact O-N 2.74Å
6I63.8Low59.4Low102 Ų102122.9 Ų122.952%0.52363%0.631SS.*Hα-helixtrans-76.3-34179.5-58.2171.6000110.5H2 L8 F9 L10H2-I6 WeakPolarHBondContact O-CD1 3.2Å; I6-L8 PolarHBondContact O-N 3.29Å; I6-F9 PolarHBondContact O-N 2.96Å; I6-L10 HydrophobicContact CG2-CD1 4.03Å; I6-L10 WeakPolarHBondContact O-CG 3.49Å; I6-L10 PolarHBondContact O-N 3.03Å; I6-L10 VanDerWaalsContact O-N 3.12Å
7S60.7Low58.8Low79 Ų79122.5 Ų122.555%0.55263%0.631SS**Hα-helixtrans-66.4-35.7177.1-1700000113.1A11S7-A11 WeakPolarHBondContact O-CB 3.28Å; S7-A11 PolarHBondContact O-N 2.83Å
8L62.4Low58.3Low123 Ų123124.3 Ų124.364%0.64464%0.64SS**Hα-helixtrans-74.5-34.2177.8-77.7163.8000112.2I6 Y12I6-L8 PolarHBondContact O-N 3.29Å; L8-Y12 PolarHBondContact O-N 2.86Å; L8-Y12 VanDerWaalsContact O-N 3.12Å
9F63.9Low57.5Low148 Ų148122.6 Ų122.665%0.64965%0.647SS**Hα-helixtrans-70.2-38.2177.3-123.3-90000112.6G5 I6 L13G5-F9 PolarHBondContact O-N 2.74Å; I6-F9 PolarHBondContact O-N 2.96Å; F9-L13 HydrophobicContact CD1-CD1 4.48Å; F9-L13 WeakPolarHBondContact O-CG 3.49Å; F9-L13 PolarHBondContact O-N 2.86Å
10L63.9Low56.8Low102 Ų102120.7 Ų120.753%0.53464%0.644SS.*Hα-helixtrans-71.7-35.3175.9-71.6169.6000112.4I6 L13 L14I6-L10 HydrophobicContact CG2-CD1 4.03Å; I6-L10 WeakPolarHBondContact O-CG 3.49Å; I6-L10 PolarHBondContact O-N 3.03Å; I6-L10 VanDerWaalsContact O-N 3.12Å; L10-L13 PolarHBondContact O-N 3.3Å; L10-L14 WeakPolarHBondContact O-CB 3.41Å; L10-L14 WeakPolarHBondContact O-CG 3.31Å; L10-L14 PolarHBondContact O-N 3.4Å
11A64.6Low55.7Low53 Ų53122.1 Ų122.144%0.43865%0.651SS.*Hα-helixtrans-66.2-39174.500000112.3S7 L14 Y15S7-A11 WeakPolarHBondContact O-CB 3.28Å; S7-A11 PolarHBondContact O-N 2.83Å; A11-L14 PolarHBondContact O-N 2.83Å; A11-Y15 PolarHBondContact O-N 2.82Å
12Y64.4Low54.3Low160 Ų160120 Ų12063%0.62764%0.637SS**Hα-helixtrans-64.3-43.8175.6-176.1-101000111.9L8 L14 Y15 T16L8-Y12 PolarHBondContact O-N 2.86Å; L8-Y12 VanDerWaalsContact O-N 3.12Å; Y12-L14 VanDerWaalsContact C-N 3.34Å; Y12-L14 PolarHBondContact O-N 3.06Å; Y12-Y15 PolarHBondContact O-N 2.93Å; Y12-T16 HydrophobicContact CD1-CG2 4.47Å; Y12-T16 HydrophobicContact CE1-CG2 4.13Å; Y12-T16 HydrophobicContact CE2-CG2 4.46Å; Y12-T16 WeakPolarHBondContact O-CG2 3.48Å; Y12-T16 PolarHBondContact O-N 3.46Å; Y12-T16 VanDerWaalsContact O-N 3.07Å; Y12-T16 PolarHBondContact O-OG1 2.92Å
13L56.5Low53.2Low87 Ų87116.1 Ų116.146%0.45563%0.629SS.*Hα-helixtrans-69-29.7178.4-72.9168.6000113.4F9 L10 T16 N17F9-L13 HydrophobicContact CD1-CD1 4.48Å; F9-L13 WeakPolarHBondContact O-CG 3.49Å; F9-L13 PolarHBondContact O-N 2.86Å; L10-L13 PolarHBondContact O-N 3.3Å; L13-T16 PolarHBondContact O-OG1 2.93Å; L13-N17 PolarHBondContact O-N 3.4Å; L13-N17 PolarHBondContact O-ND2 3.5Å
14L57.9Low52.2Low119 Ų119116.5 Ų116.562%0.62363%0.626SS**Hα-helixtrans-74.3-33.9173-75166.7000112.2L10 A11 Y12 L18L10-L14 WeakPolarHBondContact O-CB 3.41Å; L10-L14 WeakPolarHBondContact O-CG 3.31Å; L10-L14 PolarHBondContact O-N 3.4Å; A11-L14 PolarHBondContact O-N 2.83Å; Y12-L14 VanDerWaalsContact C-N 3.34Å; Y12-L14 PolarHBondContact O-N 3.06Å; L14-L18 PolarHBondContact O-N 2.92Å
15Y55.2Low51.1Low200 Ų200120.9 Ų120.978%0.78463%0.633SS**Hα-helixtrans-73.4-32.7177.2-133.7-90000112.7A11 Y12A11-Y15 PolarHBondContact O-N 2.82Å; Y12-Y15 PolarHBondContact O-N 2.93Å
16T55.4Low50Low64 Ų64123.9 Ų123.939%0.39364%0.639SS.*Hα-helixtrans-78.8-20.7178.1560000113.7Y12 L13Y12-T16 HydrophobicContact CD1-CG2 4.47Å; Y12-T16 HydrophobicContact CE1-CG2 4.13Å; Y12-T16 HydrophobicContact CE2-CG2 4.46Å; Y12-T16 WeakPolarHBondContact O-CG2 3.48Å; Y12-T16 PolarHBondContact O-N 3.46Å; Y12-T16 VanDerWaalsContact O-N 3.07Å; Y12-T16 PolarHBondContact O-OG1 2.92Å; L13-T16 PolarHBondContact O-OG1 2.93Å
17N48.4Very low48.7Very low116 Ų116130.4 Ų130.462%0.6266%0.658SS**Hα-helixtrans-93.9-10.8177.6-79.9-76.2000114L13L13-N17 PolarHBondContact O-N 3.4Å; L13-N17 PolarHBondContact O-ND2 3.5Å
18L49.5Very low47.4Very low154 Ų154133.4 Ų133.481%0.80667%0.668SS**SBendtrans-86.5-9.5176.7-12690.8000113.9L14L14-L18 PolarHBondContact O-N 2.92Å
19A43.9Very low46.1Very low92 Ų92133.8 Ų133.876%0.7667%0.671SS**SBendtrans-92.63.3-176.700000114
20S43.3Very low44.9Very low84 Ų84134.1 Ų134.159%0.58767%0.674SS**SBendtrans-143.361-174.360.60000112
21D34.2Very low43.6Very low151 Ų151140.5 Ų140.581%0.80769%0.693SS**  trans-166144.7140.5-127.9-28.3000113
22F28.4Very low42.3Very low184 Ų184142.7 Ų142.781%0.80771%0.711SS**  trans87.688.7161.8-112.6-104.3000121.9
23S30.6Very low40.8Very low90 Ų90143.3 Ų143.363%0.62972%0.72SS**  92.3103.2113.5-159.80000120.6
24H34.9Very low39.8Very low159 Ų159148.2 Ų148.274%0.73674%0.741SS**  54.3114.2114.6-142.6-23.1000118.4
25R31.7Very low38.6Very low226 Ų226150.3 Ų150.385%0.85375%0.747SS**  trans-176.4117.9131.5-101.3171.595.7120.39.7113.4
26D35.6Very low37.6Very low109 Ų109146.3 Ų146.358%0.58375%0.746SS**  trans27.6119.1146-58-21.5000120.8
27Y36.3Very low36.5Very low239 Ų239151.7 Ų151.794%0.93777%0.768SS**  -156.6106.2124.4-110.8-79.9000109
28D35.1Very low35.9Very low141 Ų141153.9 Ų153.975%0.75478%0.78SS**  trans-61141.4164.1-72.2-68.6000110.7
29D33.3Very low35.1Very low131 Ų131155 Ų15570%0.70178%0.781SS**  -177.6142.691.9-132.9-32.6000114.4
30E40Very low34.9Very low155 Ų155155.8 Ų155.872%0.72478%0.779SS**  trans45.8101.6150.5-94.7170.6124.100122
31Y36Very low34.6Very low236 Ų236159.8 Ų159.893%0.92579%0.794SS**  -160106119-98.8-76.5000108.3E33Y31-E33 PolarHBondContact O-N 3.03Å
32A36.6Very low34.9Very low100 Ų100159 Ų15983%0.82679%0.794SS**  trans-75.6100.6177.600000110.6
33E33.7Very low35.9Very low173 Ų173156.6 Ų156.681%0.80879%0.789SS**  trans-98.8115.5154.3-71.1-153.8118.500108.6Y31 E35Y31-E33 PolarHBondContact O-N 3.03Å; E33-E35 VanDerWaalsContact C-N 3.32Å; E33-E35 PolarHBondContact O-N 2.88Å
34Q36.3Very low36.8Very low190 Ų190155.6 Ų155.689%0.88878%0.78SS**  trans-8379.9-174.3-159143.97.200108.6P36Q34-P36 WeakPolarHBondContact O-CD 3.38Å
35E32.3Very low37.6Very low163 Ų163155.7 Ų155.776%0.76278%0.779SS**  trans-60.7119.7168.1-70.8-77.4123.800108.8E33 M37E33-E35 VanDerWaalsContact C-N 3.32Å; E33-E35 PolarHBondContact O-N 2.88Å; E35-M37 PolarHBondContact O-N 2.77Å
36P34Very low39Very low116 Ų116150.2 Ų150.275%0.75377%0.772SS**  trans-72.7104.2170.22.313.7000108Q34 D38Q34-P36 WeakPolarHBondContact O-CD 3.38Å; P36-D38 PolarHBondContact O-N 3.04Å
37M32Very low41.1Very low176 Ų176149.3 Ų149.387%0.86777%0.768SS**  trans-18.4111.4160.8-168.8-179.967.800113.3E35 E39E35-M37 PolarHBondContact O-N 2.77Å; M37-E39 PolarHBondContact O-N 3.44Å; M37-E39 VanDerWaalsContact O-N 3.1Å
38D36.3Very low43.4Very low163 Ų163142.8 Ų142.887%0.87275%0.747SS**  trans-48.1113.5173.9-84.7-44.5000111.1P36P36-D38 PolarHBondContact O-N 3.04Å
39E32.8Very low45.9Very low177 Ų177139.1 Ų139.183%0.82773%0.725SS**  trans-70.3138.7165.9-141.1-174.5120.200107.7M37 D41M37-E39 PolarHBondContact O-N 3.44Å; M37-E39 VanDerWaalsContact O-N 3.1Å; E39-D41 PolarHBondContact O-N 3.2Å
40P39.3Very low48.5Very low109 Ų109137.8 Ų137.871%0.70872%0.715SS**  trans-67.4129.7-169.824.9-24000109.9T42P40-T42 PolarHBondContact O-N 3.12Å
41D37.9Very low50.8Low168 Ų168134.4 Ų134.490%0.89870%0.698SS**  trans-34.7104.8171.4-88.8-42000110.8E39 L43E39-D41 PolarHBondContact O-N 3.2Å; D41-L43 PolarHBondContact O-N 3.12Å
42T39.4Very low53.4Low133 Ų133126.7 Ų126.782%0.81667%0.672SS**  trans-71.592.9168.823.10000106.5P40P40-T42 PolarHBondContact O-N 3.12Å
43L49.2Very low55.9Low135 Ų135127.9 Ų127.971%0.70766%0.655SS**  trans-34.9126.1161-171.475.9000107.9D41 K45D41-L43 PolarHBondContact O-N 3.12Å; L43-K45 PolarHBondContact O-N 3.19Å
44P50.4Low58.5Low68 Ų68121.5 Ų121.544%0.44263%0.63SS.*  trans-50.8122.4179.318.2-29.4000107.1M48 E49P44-M48 HydrophobicContact CB-CB 4.46Å; P44-E49 HydrophobicContact CG-CB 4.36Å
45K52.1Low61.2Low161 Ų161112.6 Ų112.670%0.759%0.588SS**  trans-40.8132180-70.5176.7179171.40107.2L43 D47 M48L43-K45 PolarHBondContact O-N 3.19Å; K45-D47 CarbonylContact O-C 3.59Å; K45-D47 PolarHBondContact O-N 3.39Å; K45-M48 HydrophobicContact CB-CG 4.28Å; K45-M48 PolarHBondContact O-N 3.42Å
46P60.3Low64Low111 Ų111107.8 Ų107.872%0.72157%0.573SS**Hα-helixtrans-52.9-22.7-166.317-31.7000114.2Q50P46-Q50 WeakPolarHBondContact O-CB 3.47Å; P46-Q50 PolarHBondContact O-N 3Å
47D79.1Confident66.7Low91 Ų91104.2 Ų104.249%0.48755%0.551SS.*Hα-helixtrans-67.2-37.1172.9-174.844000114.6K45 K51K45-D47 CarbonylContact O-C 3.59Å; K45-D47 PolarHBondContact O-N 3.39Å; D47-K51 WeakPolarHBondContact O-CD 3.43Å; D47-K51 VanDerWaalsContact O-CG 3.25Å; D47-K51 WeakPolarHBondContact O-CG 3.43Å; D47-K51 PolarHBondContact O-N 2.86Å; D47-K51 VanDerWaalsContact O-N 3.11Å; D47-K51 WeakPolarHBondContact OD1-CE 3.09Å; D47-K51 IonicContact OD1-NZ 2.7Å; D47-K51 WeakPolarHBondContact OD2-CE 3.23Å; D47-K51 IonicContact OD2-NZ 2.67Å; D47-K51 PolarHBondContact OD2-NZ 3.4Å
48M85Confident69.5Low101 Ų10196.1 Ų96.150%0.49851%0.511SS..Hα-helixtrans-74.4-45.1-177.8-55.7-67.6-72.300111.5P44 K45 Q50 K51 L52P44-M48 HydrophobicContact CB-CB 4.46Å; K45-M48 HydrophobicContact CB-CG 4.28Å; K45-M48 PolarHBondContact O-N 3.42Å; M48-Q50 VanDerWaalsContact C-N 3.31Å; M48-Q50 PolarHBondContact O-N 2.87Å; M48-K51 WeakPolarHBondContact O-CB 3.43Å; M48-K51 PolarHBondContact O-N 2.91Å; M48-L52 WeakPolarHBondContact O-CG 3.05Å; M48-L52 PolarHBondContact O-N 3.4Å
49E87Confident72.1Confident64 Ų6491.7 Ų91.730%0.29949%0.487SS..Hα-helixtrans-60.3-45175.8-174.2-174.616400110.6P44 K51 L52 R53P44-E49 HydrophobicContact CG-CB 4.36Å; E49-K51 VanDerWaalsContact C-N 3.31Å; E49-K51 PolarHBondContact O-N 3.13Å; E49-L52 PolarHBondContact O-N 3.07Å; E49-R53 WeakPolarHBondContact O-CG 3.33Å; E49-R53 PolarHBondContact O-N 2.77Å; E49-R53 IonicContact OE1-CZ 2.71Å; E49-R53 VanDerWaalsContact OE1-CZ 3.24Å; E49-R53 IonicContact OE1-NE 3.24Å; E49-R53 PolarHBondContact OE1-NE 2.81Å; E49-R53 IonicContact OE1-NH2 2.93Å; E49-R53 PolarHBondContact OE1-NH2 3.27Å
50Q88.1Confident74.9Confident104 Ų10486.6 Ų86.649%0.48646%0.464SS..Hα-helixtrans-59.7-42.1176.9-173.863.620.200111.8P46 M48 R53 S54P46-Q50 WeakPolarHBondContact O-CB 3.47Å; P46-Q50 PolarHBondContact O-N 3Å; M48-Q50 VanDerWaalsContact C-N 3.31Å; M48-Q50 PolarHBondContact O-N 2.87Å; Q50-R53 PolarHBondContact O-N 2.87Å; Q50-S54 VanDerWaalsContact O-CB 3.26Å; Q50-S54 WeakPolarHBondContact O-CB 3.15Å; Q50-S54 PolarHBondContact O-N 3.14Å; Q50-S54 PolarHBondContact O-OG 3.42Å
51K89.8Confident77.3Confident84 Ų8483.5 Ų83.537%0.36544%0.441SS..Hα-helixtrans-60.7-46.6175.8-77.6166179.9165.50111.8D47 M48 E49 S54 A55 L64D47-K51 WeakPolarHBondContact O-CD 3.43Å; D47-K51 VanDerWaalsContact O-CG 3.25Å; D47-K51 WeakPolarHBondContact O-CG 3.43Å; D47-K51 PolarHBondContact O-N 2.86Å; D47-K51 VanDerWaalsContact O-N 3.11Å; D47-K51 WeakPolarHBondContact OD1-CE 3.09Å; D47-K51 IonicContact OD1-NZ 2.7Å; D47-K51 WeakPolarHBondContact OD2-CE 3.23Å; D47-K51 IonicContact OD2-NZ 2.67Å; D47-K51 PolarHBondContact OD2-NZ 3.4Å; M48-K51 WeakPolarHBondContact O-CB 3.43Å; M48-K51 PolarHBondContact O-N 2.91Å; E49-K51 VanDerWaalsContact C-N 3.31Å; E49-K51 PolarHBondContact O-N 3.13Å; K51-S54 WeakPolarHBondContact CA-OG 3.44Å; K51-S54 PolarHBondContact O-N 3.4Å; K51-S54 VanDerWaalsContact O-N 3.16Å; K51-S54 PolarHBondContact O-OG 3.46Å; K51-A55 PolarHBondContact O-N 2.84Å; K51-L64 HydrophobicContact CB-CD1 4.2Å; K51-L64 HydrophobicContact CB-CD2 4.31Å
52L90.5Very high79.8Confident74 Ų7476 Ų7639%0.38740%0.4SS..Hα-helixtrans-62.2-44.1177.3-68.8172.2000112.1M48 E49 S54 A55 L61 L64 I65M48-L52 WeakPolarHBondContact O-CG 3.05Å; M48-L52 PolarHBondContact O-N 3.4Å; E49-L52 PolarHBondContact O-N 3.07Å; L52-S54 VanDerWaalsContact C-N 3.27Å; L52-S54 PolarHBondContact O-N 2.54Å; L52-A55 WeakPolarHBondContact O-CB 3.45Å; L52-A55 PolarHBondContact O-N 3.42Å; L52-L61 HydrophobicContact CD2-CD1 3.99Å; L52-L64 HydrophobicContact CD2-CB 4.04Å; L52-L64 HydrophobicContact CD2-CD1 4.34Å; L52-I65 HydrophobicContact CD2-CD1 4.03Å; L52-I65 HydrophobicContact CD2-CG1 3.57Å
53R88.1Confident82.1Confident125 Ų12571.8 Ų71.847%0.47238%0.377SS..Hα-helixtrans-64.5-31.1174.6-70.9179.7-179-107.25112.5E49 Q50 P167 E169E49-R53 WeakPolarHBondContact O-CG 3.33Å; E49-R53 PolarHBondContact O-N 2.77Å; E49-R53 IonicContact OE1-CZ 2.71Å; E49-R53 VanDerWaalsContact OE1-CZ 3.24Å; E49-R53 IonicContact OE1-NE 3.24Å; E49-R53 PolarHBondContact OE1-NE 2.81Å; E49-R53 IonicContact OE1-NH2 2.93Å; E49-R53 PolarHBondContact OE1-NH2 3.27Å; Q50-R53 PolarHBondContact O-N 2.87Å; R53-P167 CarbonylContact O-C 3.53Å; R53-E169 IonicContact NH1-OE1 3.24Å; R53-E169 PolarHBondContact NH1-OE1 3.03Å
54S89.3Confident84Confident39 Ų3968.8 Ų68.827%0.27336%0.361SS..Hα-helixtrans-84.5-14.7-17971.40000114.7Q50 K51 L52 S56 P167Q50-S54 VanDerWaalsContact O-CB 3.26Å; Q50-S54 WeakPolarHBondContact O-CB 3.15Å; Q50-S54 PolarHBondContact O-N 3.14Å; Q50-S54 PolarHBondContact O-OG 3.42Å; K51-S54 WeakPolarHBondContact CA-OG 3.44Å; K51-S54 PolarHBondContact O-N 3.4Å; K51-S54 VanDerWaalsContact O-N 3.16Å; K51-S54 PolarHBondContact O-OG 3.46Å; L52-S54 VanDerWaalsContact C-N 3.27Å; L52-S54 PolarHBondContact O-N 2.54Å; S54-S56 PolarHBondContact O-N 3.04Å; S54-P167 WeakPolarHBondContact O-CB 3.35Å
55A92.9Very high85.7Confident2 Ų269.3 Ų69.32%0.01736%0.359CS..  trans-55.5130.1-177.500000110.4K51 L52 E60 L61 L64 W126K51-A55 PolarHBondContact O-N 2.84Å; L52-A55 WeakPolarHBondContact O-CB 3.45Å; L52-A55 PolarHBondContact O-N 3.42Å; A55-E60 HydrophobicContact CB-CB 4.48Å; A55-E60 HydrophobicContact CB-CG 4.2Å; A55-L61 HydrophobicContact CB-CB 4.19Å; A55-L61 HydrophobicContact CB-CD1 4.28Å; A55-L64 HydrophobicContact CB-CD1 4.2Å; A55-W126 VanDerWaalsContact O-CZ2 3.22Å; A55-W126 WeakPolarHBondContact O-CZ2 3.45Å
56S89.8Confident87.2Confident62 Ų6265.2 Ų65.243%0.43434%0.34SS..  trans-108.7-4.3-168.864.30000113.8S54 E60 W126S54-S56 PolarHBondContact O-N 3.04Å; S56-E60 PolarHBondContact N-OE2 3.25Å; S56-E60 PolarHBondContact OG-OE2 3.47Å; S56-W126 PolarHBondContact O-NE1 3.41Å
57S92.1Very high88.3Confident42 Ų4263.7 Ų63.729%0.29433%0.33SS..SBendtrans-152.5160.2-17964.40000110.9D59 E60 L61S57-D59 PolarHBondContact O-N 3.24Å; S57-E60 PolarHBondContact O-N 3.18Å; S57-E60 WeakPolarHBondContact OG-CB 3.31Å; S57-E60 PolarHBondContact OG-N 2.76Å; S57-E60 VanDerWaalsContact OG-N 3.13Å; S57-L61 WeakPolarHBondContact O-CB 3.36Å; S57-L61 PolarHBondContact O-N 2.91Å
58V91.2Very high88Confident5 Ų562.4 Ų62.43%0.0333%0.328CS..Hα-helixtrans-57.5-36.8170.6177.30000110.5L61 M62 W70 L119 I122 E123 W126V58-L61 PolarHBondContact O-N 2.89Å; V58-M62 HydrophobicContact CG1-CG 3.86Å; V58-M62 WeakPolarHBondContact O-CB 3.03Å; V58-M62 WeakPolarHBondContact O-CG 3.04Å; V58-M62 PolarHBondContact O-N 2.71Å; V58-W70 HydrophobicContact CG1-CH2 4.38Å; V58-L119 HydrophobicContact CG1-CD2 4.2Å; V58-I122 HydrophobicContact CG2-CB 4.23Å; V58-I122 HydrophobicContact CG2-CG2 3.69Å; V58-E123 HydrophobicContact CB-CB 4.4Å; V58-E123 HydrophobicContact CG2-CB 3.84Å; V58-W126 HydrophobicContact CG2-CE3 4.22Å
59D88.9Confident87.7Confident70 Ų7059.1 Ų59.137%0.37431%0.31SS..Hα-helixtrans-62.2-47.2179.8-164.969.9000112.7S57 S63 W70 K74S57-D59 PolarHBondContact O-N 3.24Å; D59-S63 VanDerWaalsContact O-CB 3.3Å; D59-S63 WeakPolarHBondContact O-CB 3.46Å; D59-S63 PolarHBondContact O-N 2.93Å; D59-S63 PolarHBondContact O-OG 2.85Å; D59-W70 HydrophobicContact CB-CZ2 4.42Å; D59-W70 PolarHBondContact O-NE1 2.91Å; D59-W70 WeakPolarHBondContact OD1-CZ2 3.33Å; D59-W70 PolarHBondContact OD1-NE1 3.18Å; D59-K74 WeakPolarHBondContact OD1-CE 3.32Å; D59-K74 IonicContact OD1-NZ 2.74Å; D59-K74 PolarHBondContact OD1-NZ 3.07Å; D59-K74 IonicContact OD2-NZ 2.74Å; D59-K74 PolarHBondContact OD2-NZ 3.44Å
60E91.6Very high87.5Confident71 Ų7157.3 Ų57.333%0.33230%0.301SS..Hα-helixtrans-66-46.1177.9-172.4175-167.600110.9A55 S56 S57 M62 S63 L64A55-E60 HydrophobicContact CB-CB 4.48Å; A55-E60 HydrophobicContact CB-CG 4.2Å; S56-E60 PolarHBondContact N-OE2 3.25Å; S56-E60 PolarHBondContact OG-OE2 3.47Å; S57-E60 PolarHBondContact O-N 3.18Å; S57-E60 WeakPolarHBondContact OG-CB 3.31Å; S57-E60 PolarHBondContact OG-N 2.76Å; S57-E60 VanDerWaalsContact OG-N 3.13Å; E60-M62 PolarHBondContact O-N 3.48Å; E60-S63 PolarHBondContact O-N 3.32Å; E60-L64 HydrophobicContact CG-CD1 4.47Å; E60-L64 WeakPolarHBondContact O-CG 3.34Å; E60-L64 PolarHBondContact O-N 2.85Å
61L91.7Very high87.2Confident43 Ų4353 Ų5323%0.22528%0.284CS..Hα-helixtrans-60.1-48.4178.5-177.564.9000111.9L52 A55 S57 V58 S63 L64 I65 W126L52-L61 HydrophobicContact CD2-CD1 3.99Å; A55-L61 HydrophobicContact CB-CB 4.19Å; A55-L61 HydrophobicContact CB-CD1 4.28Å; S57-L61 WeakPolarHBondContact O-CB 3.36Å; S57-L61 PolarHBondContact O-N 2.91Å; V58-L61 PolarHBondContact O-N 2.89Å; L61-S63 VanDerWaalsContact C-N 3.32Å; L61-S63 PolarHBondContact O-N 2.8Å; L61-L64 PolarHBondContact O-N 3.38Å; L61-L64 VanDerWaalsContact O-N 3.15Å; L61-I65 HydrophobicContact CD1-CD1 3.63Å; L61-I65 HydrophobicContact CD1-CG1 4.3Å; L61-I65 HydrophobicContact CG-CD1 3.9Å; L61-I65 WeakPolarHBondContact O-CG1 3.47Å; L61-I65 PolarHBondContact O-N 3.21Å; L61-W126 HydrophobicContact CD2-CZ3 4.23Å
62M88.7Confident86.7Confident10 Ų1049.5 Ų49.55%0.04927%0.27CS..Hα-helixtrans-68.2-33.1-180-70.9-56.6-58.500112.2V58 E60 L64 Y66 Y69 W70 L114 L119V58-M62 HydrophobicContact CG1-CG 3.86Å; V58-M62 WeakPolarHBondContact O-CB 3.03Å; V58-M62 WeakPolarHBondContact O-CG 3.04Å; V58-M62 PolarHBondContact O-N 2.71Å; E60-M62 PolarHBondContact O-N 3.48Å; M62-L64 VanDerWaalsContact C-N 3.28Å; M62-L64 PolarHBondContact O-N 3.4Å; M62-Y66 HydrophobicContact CE-CD2 3.58Å; M62-Y66 HydrophobicContact CE-CE2 4.45Å; M62-Y66 HydrophobicContact CE-CG 4.29Å; M62-Y66 CarbonylContact O-C 3.09Å; M62-Y66 WeakPolarHBondContact O-CA 3.43Å; M62-Y66 PolarHBondContact O-N 2.91Å; M62-Y66 HydrophobicContact SD-CD2 4.25Å; M62-Y69 HydrophobicContact CE-CD1 4.42Å; M62-W70 HydrophobicContact CB-CB 4.17Å; M62-W70 HydrophobicContact CB-CD2 3.35Å; M62-W70 HydrophobicContact CB-CE3 3.73Å; M62-W70 HydrophobicContact CB-CG 3.55Å; M62-W70 HydrophobicContact CB-CZ2 4.23Å; M62-W70 HydrophobicContact CB-CZ3 4.31Å; M62-W70 HydrophobicContact CE-CE3 4.13Å; M62-W70 HydrophobicContact CG-CD2 4.09Å; M62-W70 HydrophobicContact CG-CE3 3.98Å; M62-W70 HydrophobicContact CG-CH2 4.38Å; M62-W70 HydrophobicContact CG-CZ2 4.45Å; M62-W70 HydrophobicContact CG-CZ3 4.14Å; M62-L114 HydrophobicContact CE-CD1 3.46Å; M62-L114 VanDerWaalsContact CE-CD1 3.46Å; M62-L114 HydrophobicContact SD-CD1 4.18Å; M62-L119 HydrophobicContact SD-CD2 4.17Å
63S88.8Confident86.1Confident46 Ų4646.8 Ų46.832%0.32226%0.256SS..Hα-helixtrans-66.8-30.3172.8-57.20000112.3D59 E60 L61 P67D59-S63 VanDerWaalsContact O-CB 3.3Å; D59-S63 WeakPolarHBondContact O-CB 3.46Å; D59-S63 PolarHBondContact O-N 2.93Å; D59-S63 PolarHBondContact O-OG 2.85Å; E60-S63 PolarHBondContact O-N 3.32Å; L61-S63 VanDerWaalsContact C-N 3.32Å; L61-S63 PolarHBondContact O-N 2.8Å; S63-P67 WeakPolarHBondContact O-CA 3.31Å; S63-P67 WeakPolarHBondContact O-CB 3.33Å
64L88.6Confident85.9Confident72 Ų7244.3 Ų44.338%0.37725%0.248SC..Hα-helixtrans-77.8-44177.2-71169.2000112.6K51 L52 A55 E60 L61 M62K51-L64 HydrophobicContact CB-CD1 4.2Å; K51-L64 HydrophobicContact CB-CD2 4.31Å; L52-L64 HydrophobicContact CD2-CB 4.04Å; L52-L64 HydrophobicContact CD2-CD1 4.34Å; A55-L64 HydrophobicContact CB-CD1 4.2Å; E60-L64 HydrophobicContact CG-CD1 4.47Å; E60-L64 WeakPolarHBondContact O-CG 3.34Å; E60-L64 PolarHBondContact O-N 2.85Å; L61-L64 PolarHBondContact O-N 3.38Å; L61-L64 VanDerWaalsContact O-N 3.15Å; M62-L64 VanDerWaalsContact C-N 3.28Å; M62-L64 PolarHBondContact O-N 3.4Å
65I87Confident85.6Confident79 Ų7942.5 Ų42.541%0.40524%0.236SC..Hα-helixtrans-85.4-39.3-174.5-55.7173000111.4L52 L61L52-I65 HydrophobicContact CD2-CD1 4.03Å; L52-I65 HydrophobicContact CD2-CG1 3.57Å; L61-I65 HydrophobicContact CD1-CD1 3.63Å; L61-I65 HydrophobicContact CD1-CG1 4.3Å; L61-I65 HydrophobicContact CG-CD1 3.9Å; L61-I65 WeakPolarHBondContact O-CG1 3.47Å; L61-I65 PolarHBondContact O-N 3.21Å
66Y83.3Confident84.9Confident74 Ų7447.7 Ų47.729%0.2926%0.255SS..  trans-13660.6-172.6-59.7-68.4000112.5M62 S68 Y69 W70 A111 L114M62-Y66 HydrophobicContact CE-CD2 3.58Å; M62-Y66 HydrophobicContact CE-CE2 4.45Å; M62-Y66 HydrophobicContact CE-CG 4.29Å; M62-Y66 CarbonylContact O-C 3.09Å; M62-Y66 WeakPolarHBondContact O-CA 3.43Å; M62-Y66 PolarHBondContact O-N 2.91Å; M62-Y66 HydrophobicContact SD-CD2 4.25Å; Y66-S68 PolarHBondContact O-N 2.88Å; Y66-Y69 PolarHBondContact O-N 2.94Å; Y66-W70 WeakPolarHBondContact O-CB 3.45Å; Y66-W70 PolarHBondContact O-N 3.48Å; Y66-A111 HydrophobicContact CD1-CB 3.86Å; Y66-A111 HydrophobicContact CE1-CB 3.89Å; Y66-A111 HydrophobicContact CG-CB 4.33Å; Y66-L114 HydrophobicContact CD2-CD1 3.98Å; Y66-L114 HydrophobicContact CE2-CD1 3.8Å
67P82.1Confident84Confident79 Ų7948 Ų4851%0.51326%0.257SS..Hα-helixtrans-56.6-48.8-170.318.6-31.3000114.2S63 A71S63-P67 WeakPolarHBondContact O-CA 3.31Å; S63-P67 WeakPolarHBondContact O-CB 3.33Å; P67-A71 VanDerWaalsContact O-CB 3.25Å; P67-A71 WeakPolarHBondContact O-CB 3.38Å; P67-A71 PolarHBondContact O-N 3.11Å
68S74.4Confident82.9Confident64 Ų6452.1 Ų52.145%0.44827%0.27SS..Hα-helixtrans-69.8-44.9-177.851.90000112.5Y66 A71 A72Y66-S68 PolarHBondContact O-N 2.88Å; S68-A71 PolarHBondContact O-N 2.89Å; S68-A72 VanDerWaalsContact O-CB 3.3Å; S68-A72 WeakPolarHBondContact O-CB 3.41Å; S68-A72 PolarHBondContact O-N 3.17Å
69Y77.3Confident81.5Confident32 Ų3255.2 Ų55.213%0.12529%0.286CS..Hα-helixtrans-62.3-45176.3172.3-95.1000111.6M62 Y66 A72 L73 A111 L279M62-Y69 HydrophobicContact CE-CD1 4.42Å; Y66-Y69 PolarHBondContact O-N 2.94Å; Y69-A72 WeakPolarHBondContact O-CB 3.46Å; Y69-A72 PolarHBondContact O-N 3.12Å; Y69-L73 HydrophobicContact CE1-CD1 3.72Å; Y69-L73 VanDerWaalsContact O-CB 3.28Å; Y69-L73 WeakPolarHBondContact O-CB 3.49Å; Y69-L73 PolarHBondContact O-N 3.02Å; Y69-L73 WeakPolarHBondContact OH-CD1 3.29Å; Y69-A111 HydrophobicContact CD1-CB 4.39Å; Y69-A111 HydrophobicContact CD2-CB 4.24Å; Y69-A111 HydrophobicContact CG-CB 4.17Å; Y69-L279 HydrophobicContact CD2-CD1 4.24Å; Y69-L279 HydrophobicContact CD2-CD2 3.45Å; Y69-L279 VanDerWaalsContact CD2-CD2 3.45Å; Y69-L279 HydrophobicContact CD2-CG 4.49Å; Y69-L279 HydrophobicContact CE2-CD1 4.47Å; Y69-L279 HydrophobicContact CE2-CD2 4.29Å; Y69-L279 HydrophobicContact CG-CD2 4.18Å
70W82.8Confident80.2Confident26 Ų2655.1 Ų55.110%0.09829%0.29CS..Hα-helixtrans-67-40.7-179.1-169.5-124.5000111.7V58 D59 M62 Y66 L73 K74 L119V58-W70 HydrophobicContact CG1-CH2 4.38Å; D59-W70 HydrophobicContact CB-CZ2 4.42Å; D59-W70 PolarHBondContact O-NE1 2.91Å; D59-W70 WeakPolarHBondContact OD1-CZ2 3.33Å; D59-W70 PolarHBondContact OD1-NE1 3.18Å; M62-W70 HydrophobicContact CB-CB 4.17Å; M62-W70 HydrophobicContact CB-CD2 3.35Å; M62-W70 HydrophobicContact CB-CE3 3.73Å; M62-W70 HydrophobicContact CB-CG 3.55Å; M62-W70 HydrophobicContact CB-CZ2 4.23Å; M62-W70 HydrophobicContact CB-CZ3 4.31Å; M62-W70 HydrophobicContact CE-CE3 4.13Å; M62-W70 HydrophobicContact CG-CD2 4.09Å; M62-W70 HydrophobicContact CG-CE3 3.98Å; M62-W70 HydrophobicContact CG-CH2 4.38Å; M62-W70 HydrophobicContact CG-CZ2 4.45Å; M62-W70 HydrophobicContact CG-CZ3 4.14Å; Y66-W70 WeakPolarHBondContact O-CB 3.45Å; Y66-W70 PolarHBondContact O-N 3.48Å; W70-L73 HydrophobicContact CE3-CD2 3.9Å; W70-L73 HydrophobicContact CH2-CD2 4.28Å; W70-L73 HydrophobicContact CZ3-CD2 3.58Å; W70-L73 PolarHBondContact O-N 3.4Å; W70-K74 WeakPolarHBondContact O-CG 3.31Å; W70-K74 PolarHBondContact O-N 3.2Å; W70-L119 HydrophobicContact CH2-CD1 4.33Å; W70-L119 HydrophobicContact CZ3-CD1 3.63Å
71A82.5Confident78.6Confident15 Ų1554.5 Ų54.512%0.12430%0.297CS..Hα-helixtrans-57.1-51.3170.700000112.3P67 S68 L73 K74 C75 V292P67-A71 VanDerWaalsContact O-CB 3.25Å; P67-A71 WeakPolarHBondContact O-CB 3.38Å; P67-A71 PolarHBondContact O-N 3.11Å; S68-A71 PolarHBondContact O-N 2.89Å; A71-L73 VanDerWaalsContact C-N 3.31Å; A71-L73 PolarHBondContact O-N 3.12Å; A71-K74 PolarHBondContact O-N 3.02Å; A71-C75 PolarHBondContact O-N 3.48Å; A71-V292 HydrophobicContact CB-CB 4.34Å; A71-V292 HydrophobicContact CB-CG1 3.49Å; A71-V292 VanDerWaalsContact CB-CG1 3.49Å; A71-V292 HydrophobicContact CB-CG2 3.92Å
72A78.8Confident76.9Confident9 Ų955.2 Ų55.27%0.07431%0.309CS..Hα-helixtrans-56-44.2175.800000112.3S68 Y69 C75 R76 L279 L283 L290S68-A72 VanDerWaalsContact O-CB 3.3Å; S68-A72 WeakPolarHBondContact O-CB 3.41Å; S68-A72 PolarHBondContact O-N 3.17Å; Y69-A72 WeakPolarHBondContact O-CB 3.46Å; Y69-A72 PolarHBondContact O-N 3.12Å; A72-C75 PolarHBondContact O-N 2.9Å; A72-R76 PolarHBondContact O-N 3.29Å; A72-L279 HydrophobicContact CB-CD2 3.92Å; A72-L283 HydrophobicContact CB-CD1 3.52Å; A72-L283 WeakPolarHBondContact O-CD1 3.49Å; A72-L290 HydrophobicContact CB-CD2 4.19Å
73L78.8Confident75.2Confident18 Ų1857.5 Ų57.59%0.09433%0.33CS..Hα-helixtrans-67.1-40.9178.7-172.9144.4000112.7Y69 W70 A71 C75 R76 S77 L116Y69-L73 HydrophobicContact CE1-CD1 3.72Å; Y69-L73 VanDerWaalsContact O-CB 3.28Å; Y69-L73 WeakPolarHBondContact O-CB 3.49Å; Y69-L73 PolarHBondContact O-N 3.02Å; Y69-L73 WeakPolarHBondContact OH-CD1 3.29Å; W70-L73 HydrophobicContact CE3-CD2 3.9Å; W70-L73 HydrophobicContact CH2-CD2 4.28Å; W70-L73 HydrophobicContact CZ3-CD2 3.58Å; W70-L73 PolarHBondContact O-N 3.4Å; A71-L73 VanDerWaalsContact C-N 3.31Å; A71-L73 PolarHBondContact O-N 3.12Å; L73-C75 VanDerWaalsContact C-N 3.31Å; L73-C75 PolarHBondContact O-N 3.43Å; L73-R76 PolarHBondContact O-N 2.91Å; L73-S77 PolarHBondContact O-N 2.98Å; L73-L116 HydrophobicContact CD1-CD2 3.67Å; L73-L116 HydrophobicContact CD2-CD2 3.66Å; L73-L116 HydrophobicContact CG-CD2 3.92Å
74K82.8Confident73.2Confident72 Ų7259.6 Ų59.631%0.31334%0.344SS..Hα-helixtrans-62.4-37.5172-72.4-173.3-145.9-170.90111.9D59 W70 A71 S77D59-K74 WeakPolarHBondContact OD1-CE 3.32Å; D59-K74 IonicContact OD1-NZ 2.74Å; D59-K74 PolarHBondContact OD1-NZ 3.07Å; D59-K74 IonicContact OD2-NZ 2.74Å; D59-K74 PolarHBondContact OD2-NZ 3.44Å; W70-K74 WeakPolarHBondContact O-CG 3.31Å; W70-K74 PolarHBondContact O-N 3.2Å; A71-K74 PolarHBondContact O-N 3.02Å; K74-S77 PolarHBondContact O-OG 3.25Å
75C83.4Confident71Confident2 Ų261.4 Ų61.41%0.01436%0.363CS..Hα-helixtrans-72.7-35.7177.8-72.70000113A71 A72 L73 S77 K78 L79 L290 C295A71-C75 PolarHBondContact O-N 3.48Å; A72-C75 PolarHBondContact O-N 2.9Å; L73-C75 VanDerWaalsContact C-N 3.31Å; L73-C75 PolarHBondContact O-N 3.43Å; C75-S77 VanDerWaalsContact C-N 3.28Å; C75-S77 PolarHBondContact O-N 3.03Å; C75-K78 PolarHBondContact O-N 3.26Å; C75-L79 WeakPolarHBondContact O-CG 3.41Å; C75-L79 PolarHBondContact O-N 3.39Å; C75-L290 HydrophobicContact CB-CD1 4.07Å; C75-L290 HydrophobicContact CB-CD2 3.77Å; C75-L290 HydrophobicContact CB-CG 4.43Å; C75-C295 WeakPolarHBondContact CA-SG 3.43Å; C75-C295 HydrophobicContact CB-CB 3.57Å; C75-C295 WeakPolarHBondContact CB-SG 3.39Å; C75-C295 WeakPolarHBondContact SG-CA 3.46Å; C75-C295 WeakPolarHBondContact SG-CB 3.32Å; C75-C295 CovalentContact SG-SG 2.05Å; C75-C295 PolarHBondContact SG-SG 2.9Å
76R78Confident68.9Low110 Ų11061.7 Ų61.742%0.41538%0.377SS..Hα-helixtrans-56-41.2174.5-176.8172.960.7-172.8-1.1112.4A72 L73 L79 S80 L283A72-R76 PolarHBondContact O-N 3.29Å; L73-R76 PolarHBondContact O-N 2.91Å; R76-L79 PolarHBondContact O-N 3.33Å; R76-S80 WeakPolarHBondContact O-CB 3.48Å; R76-S80 PolarHBondContact O-N 3.43Å; R76-S80 PolarHBondContact O-OG 2.8Å; R76-L283 HydrophobicContact CB-CD2 3.92Å; R76-L283 HydrophobicContact CG-CD2 4Å
77S70.4Confident66.9Low68 Ų6862.1 Ų62.148%0.47639%0.391SS..Hα-helixtrans-64.6-43178.772.10000111.8L73 K74 C75 S80 A81L73-S77 PolarHBondContact O-N 2.98Å; K74-S77 PolarHBondContact O-OG 3.25Å; C75-S77 VanDerWaalsContact C-N 3.28Å; C75-S77 PolarHBondContact O-N 3.03Å; S77-S80 PolarHBondContact O-N 3.44Å; S77-S80 PolarHBondContact O-OG 2.87Å; S77-A81 PolarHBondContact O-N 3.24Å; S77-A81 VanDerWaalsContact O-N 3.1Å
78K69.8Low64.8Low130 Ų13068 Ų6857%0.56541%0.409SS*.Hα-helixtrans-62.8-42.6175.2-69.8-177.6178.4177.10112.6C75 A81 A82 C295C75-K78 PolarHBondContact O-N 3.26Å; K78-A81 PolarHBondContact O-N 3Å; K78-A82 PolarHBondContact O-N 2.93Å; K78-C295 HydrophobicContact CD-CB 4.46Å
79L63Low63.1Low70 Ų7074 Ų7437%0.36643%0.427SS..Hα-helixtrans-65.2-39.6177-72.9165.8000112C75 R76 A81 A82 A83C75-L79 WeakPolarHBondContact O-CG 3.41Å; C75-L79 PolarHBondContact O-N 3.39Å; R76-L79 PolarHBondContact O-N 3.33Å; L79-A81 PolarHBondContact O-N 3.35Å; L79-A82 PolarHBondContact O-N 3.22Å; L79-A83 WeakPolarHBondContact O-CB 3.1Å; L79-A83 PolarHBondContact O-N 2.96Å
80S60.5Low60.9Low67 Ų6778.5 Ų78.547%0.46946%0.458SS..Hα-helixtrans-65.7-35.4176.372.50000113.1R76 S77 S84R76-S80 WeakPolarHBondContact O-CB 3.48Å; R76-S80 PolarHBondContact O-N 3.43Å; R76-S80 PolarHBondContact O-OG 2.8Å; S77-S80 PolarHBondContact O-N 3.44Å; S77-S80 PolarHBondContact O-OG 2.87Å; S80-S84 PolarHBondContact O-N 2.75Å; S80-S84 VanDerWaalsContact O-N 3.14Å; S80-S84 PolarHBondContact O-OG 2.98Å
81A58.1Low58.7Low58 Ų5887 Ų8748%0.47950%0.499SS..Hα-helixtrans-70.5-36.8174.400000112.3S77 K78 L79 S84 S85S77-A81 PolarHBondContact O-N 3.24Å; S77-A81 VanDerWaalsContact O-N 3.1Å; K78-A81 PolarHBondContact O-N 3Å; L79-A81 PolarHBondContact O-N 3.35Å; A81-S84 PolarHBondContact O-N 2.94Å; A81-S85 PolarHBondContact O-N 2.68Å; A81-S85 PolarHBondContact O-OG 3.04Å; A81-S85 VanDerWaalsContact O-OG 3.08Å
82A55.8Low56.2Low58 Ų5896.9 Ų96.948%0.47953%0.533SS..Hα-helixtrans-68.8-40.2174.800000112.4K78 L79 S84 S85 A86K78-A82 PolarHBondContact O-N 2.93Å; L79-A82 PolarHBondContact O-N 3.22Å; A82-S84 VanDerWaalsContact C-N 3.31Å; A82-S84 PolarHBondContact O-N 3.43Å; A82-S85 WeakPolarHBondContact O-CB 3.45Å; A82-S85 PolarHBondContact O-N 2.76Å; A82-S85 VanDerWaalsContact O-N 3.1Å; A82-A86 PolarHBondContact O-N 3.09Å; A82-A86 VanDerWaalsContact O-N 3.15Å
83A53.4Low54.1Low58 Ų58102.1 Ų102.148%0.47957%0.566SS.*Hα-helixtrans-66-32175.400000113L79 S85 A86 S87L79-A83 WeakPolarHBondContact O-CB 3.1Å; L79-A83 PolarHBondContact O-N 2.96Å; A83-S85 PolarHBondContact O-N 2.98Å; A83-A86 PolarHBondContact O-N 3.12Å; A83-S87 PolarHBondContact O-N 3.45Å; A83-S87 PolarHBondContact O-OG 3.01Å
84S45.8Very low51.9Low90 Ų90110.2 Ų110.263%0.62960%0.604SS**Hα-helixtrans-69.2-23.2173.1-55.40000112.6S80 A81 A82S80-S84 PolarHBondContact O-N 2.75Å; S80-S84 VanDerWaalsContact O-N 3.14Å; S80-S84 PolarHBondContact O-OG 2.98Å; A81-S84 PolarHBondContact O-N 2.94Å; A82-S84 VanDerWaalsContact C-N 3.31Å; A82-S84 PolarHBondContact O-N 3.43Å
85S42.7Very low49.4Very low110 Ų110112.5 Ų112.577%0.76962%0.624SS**Hα-helixtrans-87.3-19.7175-53.30000112.8A81 A82 A83A81-S85 PolarHBondContact O-N 2.68Å; A81-S85 PolarHBondContact O-OG 3.04Å; A81-S85 VanDerWaalsContact O-OG 3.08Å; A82-S85 WeakPolarHBondContact O-CB 3.45Å; A82-S85 PolarHBondContact O-N 2.76Å; A82-S85 VanDerWaalsContact O-N 3.1Å; A83-S85 PolarHBondContact O-N 2.98Å
86A43.3Very low47.3Very low85 Ų85121.1 Ų121.170%0.70266%0.663SS**Hα-helixtrans-98-7.4-178.400000114.3A82 A83 K88A82-A86 PolarHBondContact O-N 3.09Å; A82-A86 VanDerWaalsContact O-N 3.15Å; A83-A86 PolarHBondContact O-N 3.12Å; A86-K88 PolarHBondContact O-N 3.3Å
87S41.2Very low45Very low84 Ų84127.2 Ų127.259%0.58769%0.686SS**  trans-96.667.7-178.547.80000112.9A83A83-S87 PolarHBondContact O-N 3.45Å; A83-S87 PolarHBondContact O-OG 3.01Å
88K38.3Very low43.4Very low203 Ų203131.7 Ų131.788%0.88370%0.704SS**SBendtrans-111.244.8152.6-90.5-167.9-177.8179.20111.1A86A86-K88 PolarHBondContact O-N 3.3Å
89F37.9Very low41.4Very low189 Ų189136.6 Ų136.683%0.82972%0.719SS**SBendtrans-168.3139.5153.8-138.2-117.5000110.7
90T31.6Very low40Very low126 Ų126138.6 Ų138.677%0.77374%0.736SS**  trans74.882.3-179.866.90000116.6R92T90-R92 PolarHBondContact O-N 3.13Å
91Q36.8Very low39.1Very low205 Ų205143.5 Ų143.596%0.95876%0.756SS**  trans-61.9117.6150.6-69.8176.72.300108.4
92R29.5Very low37.8Very low223 Ų223145.7 Ų145.784%0.84277%0.768SS**  trans-124.2121.8156.2-158.8175-175.3178.21.2106.5T90 Q94T90-R92 PolarHBondContact O-N 3.13Å; R92-Q94 PolarHBondContact O-N 3.44Å
93P34.3Very low37.1Very low118 Ų118152.4 Ų152.477%0.76679%0.789SS**  trans-67.9119.8-17618.3-18.1000108.9T95P93-T95 PolarHBondContact O-N 3.19Å; P93-T95 VanDerWaalsContact O-N 3.13Å
94Q34.1Very low36Very low189 Ų189153.3 Ų153.388%0.88380%0.797SS**  trans-70.7103.8168.2-72.1-170.2-10.600107.7R92 H96R92-Q94 PolarHBondContact O-N 3.44Å; Q94-H96 PolarHBondContact O-N 2.87Å
95T29.6Very low36Very low120 Ų120159 Ų15974%0.73681%0.813SS**  trans-60.7121.6161.449.70000108.1P93 R97P93-T95 PolarHBondContact O-N 3.19Å; P93-T95 VanDerWaalsContact O-N 3.13Å; T95-R97 PolarHBondContact O-N 2.79Å
96H38.4Very low35.7Very low182 Ų182161.2 Ų161.284%0.84381%0.812SS**  trans-48.4100.9164-94.6-87.5000109.3Q94 L98Q94-H96 PolarHBondContact O-N 2.87Å; H96-L98 VanDerWaalsContact C-N 3.34Å; H96-L98 PolarHBondContact O-N 3.19Å
97R30Very low35.4Very low238 Ų238163 Ų16390%0.89882%0.816SS**  trans-82.588.1166.1-115.2-171.7179.4-171.7-0107T95 R99T95-R97 PolarHBondContact O-N 2.79Å; R97-R99 PolarHBondContact O-N 3.32Å; R97-R99 VanDerWaalsContact O-N 3.12Å
98L36.8Very low35.7Very low162 Ų162163.6 Ų163.685%0.84882%0.816SS**  trans-58.8108.2156.3-75.2153.2000106.6H96H96-L98 VanDerWaalsContact C-N 3.34Å; H96-L98 PolarHBondContact O-N 3.19Å
99R28.3Very low36.5Very low234 Ų234160 Ų16088%0.88380%0.798SS**  trans-80.5129.7170.4-166.9170.9-177.9157.6-2.3107.2R97R97-R99 PolarHBondContact O-N 3.32Å; R97-R99 VanDerWaalsContact O-N 3.12Å
100P33.4Very low37.2Very low111 Ų111154.5 Ų154.572%0.72179%0.788SS**  trans-67.8145.8-177.4-12.326.7000111.1S102P100-S102 PolarHBondContact O-N 2.85Å; P100-S102 VanDerWaalsContact O-N 3.17Å
101L42.5Very low38.2Very low171 Ų171149.1 Ų149.190%0.89576%0.756SS**  trans-49.9115.5164.5-98.277.2000109.3
102S30.6Very low39Very low103 Ų103142.5 Ų142.572%0.7274%0.736SS**  trans-105.2114151.659.50000106.9P100 A104P100-S102 PolarHBondContact O-N 2.85Å; P100-S102 VanDerWaalsContact O-N 3.17Å; S102-A104 VanDerWaalsContact C-N 3.3Å; S102-A104 PolarHBondContact O-N 3.09Å
103E39.7Very low40.3Very low199 Ų199141.3 Ų141.393%0.9373%0.733SS**  trans-55.993.3165.6-74.3166.8138.100109.1
104A31.8Very low41.9Very low77 Ų77138 Ų13864%0.63671%0.709SS**  trans-139.2109.7158.200000105.2S102 E106S102-A104 VanDerWaalsContact C-N 3.3Å; S102-A104 PolarHBondContact O-N 3.09Å; A104-E106 PolarHBondContact O-N 2.75Å
105Q46.3Very low43.9Very low209 Ų209133.2 Ų133.298%0.97769%0.689SS**  trans-71.878.1-176.5-139.2155.1-1.700108.2
106E36.3Very low46.4Very low157 Ų157130.9 Ų130.973%0.73467%0.672SS**  trans-87130165.3-82.1-170.614200108.5A104 T108A104-E106 PolarHBondContact O-N 2.75Å; E106-T108 VanDerWaalsContact C-N 3.27Å; E106-T108 PolarHBondContact O-N 2.97Å; E106-T108 PolarHBondContact O-OG1 2.92Å; E106-T108 VanDerWaalsContact O-OG1 3.09Å
107P36.8Very low48.5Very low123 Ų123126.9 Ų126.980%0.79966%0.656SS**  trans-67.791.1178.529-31.6000108.1Y109P107-Y109 PolarHBondContact O-N 3.22Å; P107-Y109 VanDerWaalsContact O-N 3.14Å
108T46.8Very low51.2Low96 Ų96119.1 Ų119.159%0.58964%0.636SS**  trans-73.9111.5-177.3-32.10000107.4E106 A112E106-T108 VanDerWaalsContact C-N 3.27Å; E106-T108 PolarHBondContact O-N 2.97Å; E106-T108 PolarHBondContact O-OG1 2.92Å; E106-T108 VanDerWaalsContact O-OG1 3.09Å; T108-A112 HydrophobicContact CG2-CB 4.17Å
109Y56.1Low53.6Low129 Ų129112 Ų11251%0.50660%0.598SS.*  trans-33.3137.8-177-50.4-89.2000114.9P107 A111 A112 H275P107-Y109 PolarHBondContact O-N 3.22Å; P107-Y109 VanDerWaalsContact O-N 3.14Å; Y109-A111 PolarHBondContact O-N 3.22Å; Y109-A112 WeakPolarHBondContact O-CB 3.34Å; Y109-A112 PolarHBondContact O-N 3.4Å; Y109-H275 AromaticContact CE1-CE1 3.4Å; Y109-H275 WeakPolarHBondContact CE1-CE1 3.14Å; Y109-H275 AromaticContact CE1-CG 3.78Å; Y109-H275 AromaticContact CE1-ND1 3.28Å; Y109-H275 VanDerWaalsContact CE1-ND1 3.28Å; Y109-H275 WeakPolarHBondContact CE1-ND1 3.39Å; Y109-H275 AromaticContact CE1-NE2 3.92Å; Y109-H275 AromaticContact CZ-CE1 3.59Å; Y109-H275 AromaticContact CZ-ND1 3.35Å; Y109-H275 PolarHBondContact OH-CE1 3.04Å; Y109-H275 PolarHBondContact OH-ND1 2.75Å
110A51.9Low56.5Low73 Ų73106.8 Ų106.860%0.60358%0.582SS**G310 helixtrans-52-28-177.800000115
111A53.4Low59.3Low13 Ų13104.7 Ų104.711%0.10757%0.57CS.*G310 helixtrans-76.1-23.9178.200000114.1Y66 Y69 Y109 Y113 L114Y66-A111 HydrophobicContact CD1-CB 3.86Å; Y66-A111 HydrophobicContact CE1-CB 3.89Å; Y66-A111 HydrophobicContact CG-CB 4.33Å; Y69-A111 HydrophobicContact CD1-CB 4.39Å; Y69-A111 HydrophobicContact CD2-CB 4.24Å; Y69-A111 HydrophobicContact CG-CB 4.17Å; Y109-A111 PolarHBondContact O-N 3.22Å; A111-Y113 PolarHBondContact O-N 2.03Å; A111-L114 PolarHBondContact O-N 3.06Å
112A53.2Low61.7Low65 Ų65100.1 Ų100.154%0.53755%0.546SS..G310 helixtrans-66.9-17.7178.300000112.6T108 Y109T108-A112 HydrophobicContact CG2-CB 4.17Å; Y109-A112 WeakPolarHBondContact O-CB 3.34Å; Y109-A112 PolarHBondContact O-N 3.4Å
113Y55.8Low64.6Low198 Ų198100.9 Ų100.978%0.77654%0.538SS*.G310 helixtrans-90-4.8177.7-97.3-92.7000114.7A111 N115A111-Y113 PolarHBondContact O-N 2.03Å; Y113-N115 PolarHBondContact O-N 3.45Å
114L68.1Low67.2Low49 Ų4994.5 Ų94.526%0.25751%0.51SS..  trans-78.289.8-179.5-67.4173.7000110.6M62 Y66 A111 L116 L119M62-L114 HydrophobicContact CE-CD1 3.46Å; M62-L114 VanDerWaalsContact CE-CD1 3.46Å; M62-L114 HydrophobicContact SD-CD1 4.18Å; Y66-L114 HydrophobicContact CD2-CD1 3.98Å; Y66-L114 HydrophobicContact CE2-CD1 3.8Å; A111-L114 PolarHBondContact O-N 3.06Å; L114-L116 PolarHBondContact O-N 2.03Å; L114-L119 HydrophobicContact CB-CD1 4.46Å
115N77.2Confident70.2Confident88 Ų8895 Ų9547%0.47150%0.499SS..  trans-63128.9175.4-175.6-26.8000110.8Y113 D117 V118 L119Y113-N115 PolarHBondContact O-N 3.45Å; N115-D117 PolarHBondContact O-N 3.3Å; N115-D117 PolarHBondContact OD1-N 2.93Å; N115-V118 HydrophobicContact CB-CB 4.33Å; N115-V118 HydrophobicContact CB-CG2 3.92Å; N115-V118 WeakPolarHBondContact O-CB 3.44Å; N115-V118 PolarHBondContact O-N 2.9Å; N115-L119 PolarHBondContact O-N 3.21Å; N115-L119 VanDerWaalsContact O-N 3.11Å
116L80.8Confident72.5Confident71 Ų7188.9 Ų88.937%0.37247%0.467SS..Hα-helixtrans-53.1-36178.2-74.8173000113.1L73 L114 L119 K120L73-L116 HydrophobicContact CD1-CD2 3.67Å; L73-L116 HydrophobicContact CD2-CD2 3.66Å; L73-L116 HydrophobicContact CG-CD2 3.92Å; L114-L116 PolarHBondContact O-N 2.03Å; L116-L119 PolarHBondContact O-N 3.48Å; L116-K120 WeakPolarHBondContact O-CG 3.34Å; L116-K120 PolarHBondContact O-N 2.02Å
117D82.3Confident75.2Confident98 Ų9888.4 Ų88.452%0.52446%0.458SS..Hα-helixtrans-73-31.9-179.3-63.3-34000111.9N115 K120 S121N115-D117 PolarHBondContact O-N 3.3Å; N115-D117 PolarHBondContact OD1-N 2.93Å; D117-K120 IonicContact OD1-NZ 3.93Å; D117-K120 PolarHBondContact OD1-NZ 3.46Å; D117-S121 WeakPolarHBondContact O-CB 2.98Å; D117-S121 PolarHBondContact O-N 2.9Å
118V87.4Confident78Confident76 Ų7686.8 Ų86.846%0.46144%0.439SS..Hα-helixtrans-65.9-45.5171.5176.10000110.1N115 K120 S121 I122N115-V118 HydrophobicContact CB-CB 4.33Å; N115-V118 HydrophobicContact CB-CG2 3.92Å; N115-V118 WeakPolarHBondContact O-CB 3.44Å; N115-V118 PolarHBondContact O-N 2.9Å; V118-K120 VanDerWaalsContact C-N 3.35Å; V118-K120 PolarHBondContact O-N 2.84Å; V118-S121 WeakPolarHBondContact O-CB 3.33Å; V118-S121 PolarHBondContact O-N 3.42Å; V118-S121 VanDerWaalsContact O-N 3.12Å; V118-I122 HydrophobicContact CG1-CD1 3.91Å; V118-I122 HydrophobicContact CG1-CG1 4.45Å; V118-I122 WeakPolarHBondContact O-CG1 3.29Å; V118-I122 PolarHBondContact O-N 2.74Å
119L87.7Confident80.3Confident11 Ų1185.2 Ų85.26%0.05843%0.429CS..Hα-helixtrans-62.2-40.7177.6-66178.8000112.4V58 M62 W70 L114 N115 L116 S121 I122 E123V58-L119 HydrophobicContact CG1-CD2 4.2Å; M62-L119 HydrophobicContact SD-CD2 4.17Å; W70-L119 HydrophobicContact CH2-CD1 4.33Å; W70-L119 HydrophobicContact CZ3-CD1 3.63Å; L114-L119 HydrophobicContact CB-CD1 4.46Å; N115-L119 PolarHBondContact O-N 3.21Å; N115-L119 VanDerWaalsContact O-N 3.11Å; L116-L119 PolarHBondContact O-N 3.48Å; L119-S121 VanDerWaalsContact C-N 3.33Å; L119-S121 PolarHBondContact O-N 3.34Å; L119-I122 HydrophobicContact CD2-CD1 4.44Å; L119-I122 PolarHBondContact O-N 2.89Å; L119-E123 WeakPolarHBondContact O-CB 3.5Å; L119-E123 PolarHBondContact O-N 3.45Å
120K88.8Confident82.2Confident126 Ų12683.4 Ų83.455%0.54843%0.425SS..Hα-helixtrans-61.6-40.8172.5-72.8171.9-170.3162.40112.1L116 D117 V118 E123 L124L116-K120 WeakPolarHBondContact O-CG 3.34Å; L116-K120 PolarHBondContact O-N 2.02Å; D117-K120 IonicContact OD1-NZ 3.93Å; D117-K120 PolarHBondContact OD1-NZ 3.46Å; V118-K120 VanDerWaalsContact C-N 3.35Å; V118-K120 PolarHBondContact O-N 2.84Å; K120-E123 PolarHBondContact O-N 3.31Å; K120-L124 WeakPolarHBondContact O-CB 3.45Å; K120-L124 PolarHBondContact O-N 3.14Å
121S92.4Very high84.4Confident67 Ų6781 Ų8147%0.46940%0.403SS..Hα-helixtrans-63-43.5176.2-171.50000111.3D117 V118 L119 L124 E125D117-S121 WeakPolarHBondContact O-CB 2.98Å; D117-S121 PolarHBondContact O-N 2.9Å; V118-S121 WeakPolarHBondContact O-CB 3.33Å; V118-S121 PolarHBondContact O-N 3.42Å; V118-S121 VanDerWaalsContact O-N 3.12Å; L119-S121 VanDerWaalsContact C-N 3.33Å; L119-S121 PolarHBondContact O-N 3.34Å; S121-L124 WeakPolarHBondContact O-CB 3.49Å; S121-L124 PolarHBondContact O-N 2.78Å; S121-E125 PolarHBondContact O-N 2.74Å
122I91.5Very high86.5Confident75 Ų7583.5 Ų83.539%0.38541%0.414SS..Hα-helixtrans-63.3-45.6176.9-64.7165.4000110.4V58 V118 L119 L124 E125 W126V58-I122 HydrophobicContact CG2-CB 4.23Å; V58-I122 HydrophobicContact CG2-CG2 3.69Å; V118-I122 HydrophobicContact CG1-CD1 3.91Å; V118-I122 HydrophobicContact CG1-CG1 4.45Å; V118-I122 WeakPolarHBondContact O-CG1 3.29Å; V118-I122 PolarHBondContact O-N 2.74Å; L119-I122 HydrophobicContact CD2-CD1 4.44Å; L119-I122 PolarHBondContact O-N 2.89Å; I122-L124 VanDerWaalsContact C-N 3.29Å; I122-L124 PolarHBondContact O-N 3.14Å; I122-E125 PolarHBondContact O-N 3.05Å; I122-W126 HydrophobicContact CG2-CE3 4.37Å; I122-W126 PolarHBondContact O-N 2.96Å
123E92.2Very high88.6Confident118 Ų11882.2 Ų82.255%0.55140%0.4SS*.Hα-helixtrans-60.4-40.5177.2-175176.9-175.400111.8V58 L119 K120 W126 R127V58-E123 HydrophobicContact CB-CB 4.4Å; V58-E123 HydrophobicContact CG2-CB 3.84Å; L119-E123 WeakPolarHBondContact O-CB 3.5Å; L119-E123 PolarHBondContact O-N 3.45Å; K120-E123 PolarHBondContact O-N 3.31Å; E123-W126 PolarHBondContact O-N 3.01Å; E123-R127 WeakPolarHBondContact O-CB 3.36Å; E123-R127 PolarHBondContact O-N 3.2Å
124L94.4Very high90.6Very high66 Ų6676.2 Ų76.235%0.34638%0.376SS..Hα-helixtrans-61.9-44.4175.5178.762.3000111.9K120 S121 I122 R127 K128K120-L124 WeakPolarHBondContact O-CB 3.45Å; K120-L124 PolarHBondContact O-N 3.14Å; S121-L124 WeakPolarHBondContact O-CB 3.49Å; S121-L124 PolarHBondContact O-N 2.78Å; I122-L124 VanDerWaalsContact C-N 3.29Å; I122-L124 PolarHBondContact O-N 3.14Å; L124-R127 PolarHBondContact O-N 3.17Å; L124-K128 HydrophobicContact CD1-CG 4.46Å; L124-K128 HydrophobicContact CG-CD 4.36Å; L124-K128 WeakPolarHBondContact O-CB 3.05Å; L124-K128 VanDerWaalsContact O-CG 3.29Å; L124-K128 WeakPolarHBondContact O-CG 3.02Å; L124-K128 PolarHBondContact O-N 2.88Å
125E95.4Very high92Very high87 Ų8779.8 Ų79.841%0.40739%0.391SS..Hα-helixtrans-66.1-39.4176.8-71.5-51.3127.700112.1S121 I122 R127 K128 T129S121-E125 PolarHBondContact O-N 2.74Å; I122-E125 PolarHBondContact O-N 3.05Å; E125-R127 PolarHBondContact O-N 2.87Å; E125-K128 PolarHBondContact O-N 3.41Å; E125-K128 IonicContact OE1-NZ 3.52Å; E125-K128 PolarHBondContact OE1-NZ 3.32Å; E125-T129 WeakPolarHBondContact O-CB 2.97Å; E125-T129 WeakPolarHBondContact O-CG2 2.98Å; E125-T129 PolarHBondContact O-N 2.9Å; E125-T129 PolarHBondContact O-OG1 3.31Å
126W94.3Very high93Very high81 Ų8178.5 Ų78.531%0.30739%0.386SS..Hα-helixtrans-58.4-48.1174.1-147.5-56.9000111.5A55 S56 V58 L61 I122 E123 K128 T129 Q130A55-W126 VanDerWaalsContact O-CZ2 3.22Å; A55-W126 WeakPolarHBondContact O-CZ2 3.45Å; S56-W126 PolarHBondContact O-NE1 3.41Å; V58-W126 HydrophobicContact CG2-CE3 4.22Å; L61-W126 HydrophobicContact CD2-CZ3 4.23Å; I122-W126 HydrophobicContact CG2-CE3 4.37Å; I122-W126 PolarHBondContact O-N 2.96Å; E123-W126 PolarHBondContact O-N 3.01Å; W126-K128 VanDerWaalsContact C-N 3.34Å; W126-K128 PolarHBondContact O-N 3.15Å; W126-T129 PolarHBondContact O-N 3.47Å; W126-T129 PolarHBondContact O-OG1 3.39Å; W126-Q130 PolarHBondContact O-N 3.04Å
127R93.3Very high93.8Very high146 Ų14679.8 Ų79.855%0.55140%0.401SS*.Hα-helixtrans-63.6-38.1177.1-172.3-177.366.282.9-1.8112.3E123 L124 E125 T129 Q130E123-R127 WeakPolarHBondContact O-CB 3.36Å; E123-R127 PolarHBondContact O-N 3.2Å; L124-R127 PolarHBondContact O-N 3.17Å; E125-R127 PolarHBondContact O-N 2.87Å; R127-T129 VanDerWaalsContact C-N 3.32Å; R127-Q130 VanDerWaalsContact O-CG 3.29Å; R127-Q130 WeakPolarHBondContact O-CG 3.36Å
128K95.1Very high94.5Very high90 Ų9075.8 Ų75.839%0.39138%0.379SS..Hα-helixtrans-70.1-28.5178.3-78.8176.3-172165.90112.8L124 E125 W126 R134L124-K128 HydrophobicContact CD1-CG 4.46Å; L124-K128 HydrophobicContact CG-CD 4.36Å; L124-K128 WeakPolarHBondContact O-CB 3.05Å; L124-K128 VanDerWaalsContact O-CG 3.29Å; L124-K128 WeakPolarHBondContact O-CG 3.02Å; L124-K128 PolarHBondContact O-N 2.88Å; E125-K128 PolarHBondContact O-N 3.41Å; E125-K128 IonicContact OE1-NZ 3.52Å; E125-K128 PolarHBondContact OE1-NZ 3.32Å; W126-K128 VanDerWaalsContact C-N 3.34Å; W126-K128 PolarHBondContact O-N 3.15Å; K128-R134 VanDerWaalsContact O-CZ 3.24Å; K128-R134 PolarHBondContact O-NH1 3Å; K128-R134 PolarHBondContact O-NH2 3.31Å
129T95.9Very high94.9Very high62 Ų6275.1 Ų75.138%0.3837%0.373SS..Hα-helixtrans-100.2-7.6-174.754.50000113.7E125 W126 R127 G164 C165E125-T129 WeakPolarHBondContact O-CB 2.97Å; E125-T129 WeakPolarHBondContact O-CG2 2.98Å; E125-T129 PolarHBondContact O-N 2.9Å; E125-T129 PolarHBondContact O-OG1 3.31Å; W126-T129 PolarHBondContact O-N 3.47Å; W126-T129 PolarHBondContact O-OG1 3.39Å; R127-T129 VanDerWaalsContact C-N 3.32Å; T129-G164 CarbonylContact O-C 3.5Å; T129-G164 WeakPolarHBondContact O-CA 3.45Å; T129-C165 PolarHBondContact O-N 2.83Å
130Q95.4Very high95.3Very high92 Ų9274.6 Ų74.643%0.4337%0.371SS..BIsolated β-bridgetrans-58153.5178.877.8-170.916.900114.3W126 R127 M132 R134W126-Q130 PolarHBondContact O-N 3.04Å; R127-Q130 VanDerWaalsContact O-CG 3.29Å; R127-Q130 WeakPolarHBondContact O-CG 3.36Å; Q130-M132 HydrophobicContact CG-SD 4.38Å; Q130-M132 PolarHBondContact O-N 3.2Å; Q130-M132 VanDerWaalsContact O-N 3.12Å; Q130-R134 PolarHBondContact O-NH2 3.13Å
131C97.6Very high95.5Very high21 Ų2169.5 Ų69.514%0.14235%0.354CS..SBendtrans-61109.5175.3176.20000112.2G163 C165 C173 C211C131-G163 WeakPolarHBondContact CA-O 3.28Å; C131-C165 PolarHBondContact N-O 3.48Å; C131-C173 VanDerWaalsContact CA-SG 3.51Å; C131-C173 HydrophobicContact CB-CB 3.74Å; C131-C173 WeakPolarHBondContact CB-SG 3.41Å; C131-C173 WeakPolarHBondContact SG-CA 3.48Å; C131-C173 WeakPolarHBondContact SG-CB 3.33Å; C131-C173 CovalentContact SG-SG 2.03Å; C131-C173 PolarHBondContact SG-SG 3.23Å; C131-C211 VanDerWaalsContact CB-SG 3.58Å
132M97.3Very high95.6Very high67 Ų6776.3 Ų76.333%0.3337%0.369SS..EExtended strand (participates in β ladder)trans-154.1165.8177.768.4-177.1-17400111.6Q130 R134 G163 C209Q130-M132 HydrophobicContact CG-SD 4.38Å; Q130-M132 PolarHBondContact O-N 3.2Å; Q130-M132 VanDerWaalsContact O-N 3.12Å; M132-R134 HydrophobicContact CG-CG 4.27Å; M132-R134 PolarHBondContact O-N 2.86Å; M132-G163 PolarHBondContact N-O 3.33Å; M132-G163 PolarHBondContact O-N 3.49Å; M132-G163 VanDerWaalsContact O-N 3.09Å; M132-G163 VanDerWaalsContact O-O 3.05Å; M132-C209 VanDerWaalsContact C-SG 3.52Å
133P98.2Very high95.6Very high38 Ų3877.1 Ų77.125%0.24737%0.371CS..EExtended strand (participates in β ladder)trans-61.9128.4170.8-20.131.6000110.7Y160 R161 C209P133-Y160 HydrophobicContact CB-CD1 4.03Å; P133-R161 CarbonylContact C-O 3.37Å; P133-R161 WeakPolarHBondContact CA-O 3.46Å; P133-C209 VanDerWaalsContact CD-SG 3.53Å
134R97.8Very high95.6Very high71 Ų7176 Ų7627%0.26837%0.365SS..EExtended strand (participates in β ladder)trans-129.3139.4179.3-65.5173.4-171.9-90-5109.6K128 Q130 M132 V136 Y160 R161 G163K128-R134 VanDerWaalsContact O-CZ 3.24Å; K128-R134 PolarHBondContact O-NH1 3Å; K128-R134 PolarHBondContact O-NH2 3.31Å; Q130-R134 PolarHBondContact O-NH2 3.13Å; M132-R134 HydrophobicContact CG-CG 4.27Å; M132-R134 PolarHBondContact O-N 2.86Å; R134-V136 PolarHBondContact O-N 3.31Å; R134-Y160 CarbonylContact O-C 3.41Å; R134-Y160 WeakPolarHBondContact O-CA 3.03Å; R134-R161 PolarHBondContact N-O 3.45Å; R134-R161 PolarHBondContact O-N 3.37Å; R134-G163 PolarHBondContact NE-O 3.44Å
135E97.6Very high95.4Very high124 Ų12475.9 Ų75.958%0.57938%0.379SS*.EExtended strand (participates in β ladder)trans-67.2126.5175.8-169.1175.1-170.700109.8S158 Y160E135-S158 WeakPolarHBondContact CG-OG 2.91Å; E135-S158 PolarHBondContact OE1-OG 3.48Å; E135-Y160 HydrophobicContact CB-CE1 4.15Å; E135-Y160 HydrophobicContact CB-CE2 4.47Å
136V97.7Very high95.2Very high61 Ų6173 Ų7337%0.3737%0.371SS..EExtended strand (participates in β ladder)trans-137.7154.4-179.9-62.60000110.7R134 V138 V159 R161R134-V136 PolarHBondContact O-N 3.31Å; V136-V138 HydrophobicContact CG2-CG2 4.04Å; V136-V159 PolarHBondContact N-O 2.73Å; V136-V159 PolarHBondContact O-N 2.79Å; V136-V159 VanDerWaalsContact O-N 3.13Å; V136-R161 HydrophobicContact CG2-CB 3.64Å; V136-R161 HydrophobicContact CG2-CG 3.35Å
137C97.4Very high95.1Very high99 Ų9972.9 Ų72.967%0.66938%0.38SS*.EExtended strand (participates in β ladder)trans-89.5112.6175.3179.20000109.6C156C137-C156 WeakPolarHBondContact SG-CB 3.2Å
138V96.9Very high95Very high13 Ų1372.4 Ų72.48%0.07939%0.394CS..EExtended strand (participates in β ladder)trans-103.5126.4-179.8177.60000109.9V136 V140 E143 C156 V157 V159 R161V136-V138 HydrophobicContact CG2-CG2 4.04Å; V138-V140 PolarHBondContact O-N 3.33Å; V138-E143 HydrophobicContact CG1-CB 3.92Å; V138-E143 HydrophobicContact CG1-CG 4.03Å; V138-C156 CarbonylContact O-C 3.31Å; V138-C156 WeakPolarHBondContact O-CA 3.15Å; V138-C156 WeakPolarHBondContact O-CB 3.42Å; V138-V157 HydrophobicContact CB-CG2 4.25Å; V138-V157 PolarHBondContact N-O 2.93Å; V138-V157 PolarHBondContact O-N 2.87Å; V138-V159 HydrophobicContact CB-CG2 4.2Å; V138-V159 HydrophobicContact CG2-CG2 3.44Å; V138-V159 VanDerWaalsContact CG2-CG2 3.44Å; V138-R161 HydrophobicContact CG2-CG 4.48Å
139D96.7Very high94.8Very high63 Ų6371.4 Ų71.434%0.33739%0.392SS..EExtended strand (participates in β ladder)trans-71.6115.8171.9-178.7-32.6000109.7G141 R142 E143D139-G141 PolarHBondContact OD1-N 3.45Å; D139-R142 HydrophobicContact CB-CB 4.14Å; D139-R142 HydrophobicContact CB-CG 4.23Å; D139-R142 PolarHBondContact OD1-N 3.37Å; D139-R142 VanDerWaalsContact OD2-CD 3.32Å; D139-R142 WeakPolarHBondContact OD2-CD 3.43Å; D139-R142 WeakPolarHBondContact OD2-CG 3.42Å; D139-E143 VanDerWaalsContact O-CB 3.31Å; D139-E143 WeakPolarHBondContact O-CB 3.23Å; D139-E143 PolarHBondContact O-N 2.98Å
140V95.6Very high94.5Very high0 Ų069.4 Ų69.40%038%0.38CS..Hα-helixtrans-67-41.9-176.1176.60000111.3V138 R142 E143 F144 Y152 P155 V157 L185 I201V138-V140 PolarHBondContact O-N 3.33Å; V140-R142 VanDerWaalsContact C-N 3.3Å; V140-R142 PolarHBondContact O-N 3.48Å; V140-E143 PolarHBondContact O-N 3.42Å; V140-F144 HydrophobicContact CG1-CD2 3.86Å; V140-F144 HydrophobicContact CG1-CE2 4.29Å; V140-F144 WeakPolarHBondContact O-CD2 3.16Å; V140-F144 PolarHBondContact O-N 3.4Å; V140-Y152 HydrophobicContact CB-CD2 4.1Å; V140-Y152 HydrophobicContact CB-CG 4.31Å; V140-Y152 HydrophobicContact CG1-CD1 4.25Å; V140-Y152 HydrophobicContact CG1-CD2 3.61Å; V140-Y152 HydrophobicContact CG1-CE1 4.5Å; V140-Y152 HydrophobicContact CG1-CE2 3.89Å; V140-Y152 HydrophobicContact CG1-CG 3.81Å; V140-P155 PolarHBondContact N-O 2.96Å; V140-V157 HydrophobicContact CG2-CB 4.42Å; V140-V157 HydrophobicContact CG2-CG1 3.75Å; V140-V157 HydrophobicContact CG2-CG2 3.98Å; V140-L185 HydrophobicContact CG2-CD2 3.98Å; V140-I201 HydrophobicContact CB-CD1 4.28Å; V140-I201 HydrophobicContact CG1-CD1 3.5Å; V140-I201 VanDerWaalsContact CG1-CD1 3.5Å; V140-I201 HydrophobicContact CG2-CD1 3.74Å
141G93Very high94.4Very high19 Ų1970 Ų7020%0.19638%0.382CS..Hα-helixtrans-62.7-41.3-178.500000111.3D139 G145 A146D139-G141 PolarHBondContact OD1-N 3.45Å; G141-G145 PolarHBondContact O-N 3.27Å; G141-G145 VanDerWaalsContact O-N 3.14Å; G141-A146 PolarHBondContact O-N 2.9Å
142R93.6Very high94.2Very high210 Ų21070.5 Ų70.579%0.79238%0.381SS*.Hα-helixtrans-72.6-40.5177.9-64.2-177.775-173.23.6113D139 V140D139-R142 HydrophobicContact CB-CB 4.14Å; D139-R142 HydrophobicContact CB-CG 4.23Å; D139-R142 PolarHBondContact OD1-N 3.37Å; D139-R142 VanDerWaalsContact OD2-CD 3.32Å; D139-R142 WeakPolarHBondContact OD2-CD 3.43Å; D139-R142 WeakPolarHBondContact OD2-CG 3.42Å; V140-R142 VanDerWaalsContact C-N 3.3Å; V140-R142 PolarHBondContact O-N 3.48Å
143E93Very high94.1Very high92 Ų9272.7 Ų72.743%0.4339%0.388SS..Hα-helixtrans-66.5-40-178.3-170.182.1166.800112.2V138 D139 V140 R161V138-E143 HydrophobicContact CG1-CB 3.92Å; V138-E143 HydrophobicContact CG1-CG 4.03Å; D139-E143 VanDerWaalsContact O-CB 3.31Å; D139-E143 WeakPolarHBondContact O-CB 3.23Å; D139-E143 PolarHBondContact O-N 2.98Å; V140-E143 PolarHBondContact O-N 3.42Å; E143-R161 IonicContact OE1-CZ 2.76Å; E143-R161 VanDerWaalsContact OE1-CZ 3.24Å; E143-R161 IonicContact OE1-NH1 3.24Å; E143-R161 PolarHBondContact OE1-NH1 3.35Å; E143-R161 IonicContact OE1-NH2 3.6Å; E143-R161 PolarHBondContact OE1-NH2 3.22Å; E143-R161 IonicContact OE2-NH1 3.53Å
144F90.5Very high94Very high95 Ų9574.6 Ų74.642%0.41740%0.401SS..THydrogen-bonded Turntrans-96.53.1-178.1-68-87.9000113.7V140 I201 S202 V203V140-F144 HydrophobicContact CG1-CD2 3.86Å; V140-F144 HydrophobicContact CG1-CE2 4.29Å; V140-F144 WeakPolarHBondContact O-CD2 3.16Å; V140-F144 PolarHBondContact O-N 3.4Å; F144-I201 HydrophobicContact CE2-CB 4.45Å; F144-I201 HydrophobicContact CE2-CD1 3.84Å; F144-I201 HydrophobicContact CZ-CB 4.28Å; F144-I201 HydrophobicContact CZ-CD1 4.38Å; F144-S202 VanDerWaalsContact CZ-O 3.31Å; F144-S202 WeakPolarHBondContact CZ-O 3.25Å; F144-V203 HydrophobicContact CE2-CG2 4.18Å; F144-V203 HydrophobicContact CZ-CG2 4.16Å
145G92.1Very high93.9Very high62 Ų6274.3 Ų74.364%0.63941%0.408SS*.THydrogen-bonded Turntrans63.341.6178.300000113.4G141G141-G145 PolarHBondContact O-N 3.27Å; G141-G145 VanDerWaalsContact O-N 3.14Å
146A90.6Very high93.9Very high28 Ų2870.5 Ų70.523%0.23140%0.395CS..  trans-60.8139-177.200000111.7G141 Y152G141-A146 PolarHBondContact O-N 2.9Å; A146-Y152 HydrophobicContact CB-CE2 3.86Å
147P91.9Very high93.9Very high78 Ų7868.1 Ų68.151%0.50638%0.38SS..  trans-55.8154.4172-26.836000112.6N149 V150P147-N149 WeakPolarHBondContact CB-OD1 3.41Å; P147-N149 PolarHBondContact O-N 2.68Å; P147-V150 HydrophobicContact CB-CG2 4.2Å; P147-V150 HydrophobicContact CG-CG2 4.25Å; P147-V150 PolarHBondContact O-N 3.19Å
148T90.1Very high93.9Very high136 Ų13665.8 Ų65.883%0.83437%0.365SS*.THydrogen-bonded Turntrans-61.7-17.9-179.553.20000114.1F151T148-F151 WeakPolarHBondContact O-CZ 3.46Å
149N90.9Very high93.9Very high68 Ų6865.2 Ų65.236%0.36436%0.361SS..THydrogen-bonded Turntrans-95.23.1177.768.9-48.9000113.7P147 T189 V190P147-N149 WeakPolarHBondContact CB-OD1 3.41Å; P147-N149 PolarHBondContact O-N 2.68Å; N149-T189 WeakPolarHBondContact ND2-CG2 3.43Å; N149-T189 CarbonylContact O-C 3.41Å; N149-T189 VanDerWaalsContact O-CA 3.28Å; N149-T189 WeakPolarHBondContact O-CA 3.41Å; N149-V190 WeakPolarHBondContact CB-O 3.29Å; N149-V190 PolarHBondContact O-N 2.89Å
150V91.4Very high94Very high20 Ų2067 Ų6712%0.12136%0.364CS..EExtended strand (participates in β ladder)trans-115.9130.9179.2179.20000110P147 Y152 E187 I188 T189P147-V150 HydrophobicContact CB-CG2 4.2Å; P147-V150 HydrophobicContact CG-CG2 4.25Å; P147-V150 PolarHBondContact O-N 3.19Å; V150-Y152 HydrophobicContact CG1-CE2 4.33Å; V150-E187 HydrophobicContact CG1-CG 3.6Å; V150-I188 CarbonylContact C-O 3.34Å; V150-I188 WeakPolarHBondContact CA-O 3.22Å; V150-T189 HydrophobicContact CG2-CG2 4.18Å
151F92.3Very high94.1Very high106 Ų10669.1 Ų69.147%0.46537%0.372SS..EExtended strand (participates in β ladder)trans-132144179.6-55.2-83.5000111.2T148 I188 V190T148-F151 WeakPolarHBondContact O-CZ 3.46Å; F151-I188 PolarHBondContact N-O 3.23Å; F151-I188 PolarHBondContact O-N 2.64Å; F151-V190 HydrophobicContact CD2-CG2 4.17Å; F151-V190 HydrophobicContact CE2-CG2 4.02Å
152Y94.6Very high94.4Very high30 Ų3069.5 Ų69.512%0.11837%0.371CS..EExtended strand (participates in β ladder)trans-104145.1177.3-64.6-77.6000112.1V140 A146 V150 P154 P155 F186 E187V140-Y152 HydrophobicContact CB-CD2 4.1Å; V140-Y152 HydrophobicContact CB-CG 4.31Å; V140-Y152 HydrophobicContact CG1-CD1 4.25Å; V140-Y152 HydrophobicContact CG1-CD2 3.61Å; V140-Y152 HydrophobicContact CG1-CE1 4.5Å; V140-Y152 HydrophobicContact CG1-CE2 3.89Å; V140-Y152 HydrophobicContact CG1-CG 3.81Å; A146-Y152 HydrophobicContact CB-CE2 3.86Å; V150-Y152 HydrophobicContact CG1-CE2 4.33Å; Y152-P154 CarbonylContact C-O 3.53Å; Y152-P154 CarbonylContact O-C 3.59Å; Y152-P155 WeakPolarHBondContact O-CA 3.35Å; Y152-F186 CarbonylContact C-O 3.46Å; Y152-F186 VanDerWaalsContact CA-O 3.31Å; Y152-F186 WeakPolarHBondContact CA-O 2.93Å; Y152-E187 HydrophobicContact CD1-CB 4.22Å; Y152-E187 HydrophobicContact CD1-CG 4.36Å; Y152-E187 HydrophobicContact CE1-CB 3.91Å; Y152-E187 HydrophobicContact CE1-CG 3.77Å; Y152-E187 WeakPolarHBondContact CE1-OE2 3.47Å; Y152-E187 PolarHBondContact OH-OE2 3.31Å
153K94.8Very high94.5Very high114 Ų11460.5 Ų60.550%0.49634%0.344SS..EExtended strand (participates in β ladder)trans-129.3115.7171.6-63.1-64.4176.8-172.50110.6F186 I188K153-F186 HydrophobicContact CB-CB 4.25Å; K153-F186 PolarHBondContact N-O 2.85Å; K153-F186 PolarHBondContact O-N 3.04Å; K153-I188 HydrophobicContact CG-CD1 3.83Å
154P96.4Very high94.7Very high77 Ų7757.9 Ų57.950%0.534%0.342SS..SBendcis-62.8157.6-7.428-34.1000112.3Y152 C156 L185Y152-P154 CarbonylContact C-O 3.53Å; Y152-P154 CarbonylContact O-C 3.59Å; P154-C156 VanDerWaalsContact C-N 3.25Å; P154-C156 PolarHBondContact O-N 3.41Å; P154-L185 HydrophobicContact CG-CD2 4.04Å; P154-L185 WeakPolarHBondContact O-CD2 3.41Å
155P95.4Very high94.9Very high66 Ų6657.5 Ų57.543%0.42935%0.35SS..SBendtrans-73.3-20.8178.429.3-34.7000112.8V140 Y152V140-P155 PolarHBondContact N-O 2.96Å; Y152-P155 WeakPolarHBondContact O-CA 3.35Å
156C97.1Very high95.1Very high44 Ų4455.9 Ų55.930%0.29733%0.328SS..EExtended strand (participates in β ladder)trans-126.1157.7-175.1-53.20000112.4C137 V138 P154C137-C156 WeakPolarHBondContact SG-CB 3.2Å; V138-C156 CarbonylContact O-C 3.31Å; V138-C156 WeakPolarHBondContact O-CA 3.15Å; V138-C156 WeakPolarHBondContact O-CB 3.42Å; P154-C156 VanDerWaalsContact C-N 3.25Å; P154-C156 PolarHBondContact O-N 3.41Å
157V97.4Very high95.1Very high11 Ų1156.9 Ų56.97%0.06733%0.333CS..EExtended strand (participates in β ladder)trans-129.1145.9175.2-67.90000111.2V138 V140 V159 K183 L185 I201 V203V138-V157 HydrophobicContact CB-CG2 4.25Å; V138-V157 PolarHBondContact N-O 2.93Å; V138-V157 PolarHBondContact O-N 2.87Å; V140-V157 HydrophobicContact CG2-CB 4.42Å; V140-V157 HydrophobicContact CG2-CG1 3.75Å; V140-V157 HydrophobicContact CG2-CG2 3.98Å; V157-V159 HydrophobicContact CG2-CG1 4.38Å; V157-K183 HydrophobicContact CB-CD 3.49Å; V157-K183 VanDerWaalsContact CB-CD 3.49Å; V157-K183 HydrophobicContact CG1-CB 4.34Å; V157-K183 HydrophobicContact CG1-CD 3.54Å; V157-K183 HydrophobicContact CG2-CD 4.16Å; V157-L185 HydrophobicContact CG1-CD1 4.41Å; V157-L185 HydrophobicContact CG1-CD2 3.82Å; V157-I201 HydrophobicContact CG1-CD1 4.48Å; V157-V203 HydrophobicContact CG2-CG1 4.13Å; V157-V203 HydrophobicContact CG2-CG2 4.2Å
158S97.7Very high95.1Very high49 Ų4953.6 Ų53.634%0.34331%0.312SS..EExtended strand (participates in β ladder)trans-84.4123.1170.2179.70000110.9E135 K183E135-S158 WeakPolarHBondContact CG-OG 2.91Å; E135-S158 PolarHBondContact OE1-OG 3.48Å; S158-K183 WeakPolarHBondContact O-CE 3.45Å; S158-K183 PolarHBondContact O-NZ 3.31Å
159V97.8Very high95Very high1 Ų155.3 Ų55.31%0.00631%0.31CS..EExtended strand (participates in β ladder)trans-144.9162.6174.7-670000110.8V136 V138 V157 R161 V203V136-V159 PolarHBondContact N-O 2.73Å; V136-V159 PolarHBondContact O-N 2.79Å; V136-V159 VanDerWaalsContact O-N 3.13Å; V138-V159 HydrophobicContact CB-CG2 4.2Å; V138-V159 HydrophobicContact CG2-CG2 3.44Å; V138-V159 VanDerWaalsContact CG2-CG2 3.44Å; V157-V159 HydrophobicContact CG2-CG1 4.38Å; V159-R161 HydrophobicContact CG2-CG 4.37Å; V159-V203 HydrophobicContact CG1-CB 4.06Å; V159-V203 HydrophobicContact CG1-CG1 3.72Å; V159-V203 HydrophobicContact CG2-CG1 4.26Å
160Y98.3Very high94.9Very high101 Ų10156.2 Ų56.240%0.39632%0.315SS..EExtended strand (participates in β ladder)trans-86.5128.5173.5-73.3-99.8000111.3P133 R134 E135 N205 H206P133-Y160 HydrophobicContact CB-CD1 4.03Å; R134-Y160 CarbonylContact O-C 3.41Å; R134-Y160 WeakPolarHBondContact O-CA 3.03Å; E135-Y160 HydrophobicContact CB-CE1 4.15Å; E135-Y160 HydrophobicContact CB-CE2 4.47Å; Y160-N205 WeakPolarHBondContact CB-OD1 3.46Å; Y160-N205 PolarHBondContact N-OD1 3.34Å; Y160-H206 PolarHBondContact O-N 3.04Å
161R97.9Very high95Very high45 Ų4559.4 Ų59.417%0.1733%0.327CS..EExtended strand (participates in β ladder)trans-125.3157171-61.9-66.3173.390.8-8109.8P133 R134 V136 V138 E143 V159 G163 A204P133-R161 CarbonylContact C-O 3.37Å; P133-R161 WeakPolarHBondContact CA-O 3.46Å; R134-R161 PolarHBondContact N-O 3.45Å; R134-R161 PolarHBondContact O-N 3.37Å; V136-R161 HydrophobicContact CG2-CB 3.64Å; V136-R161 HydrophobicContact CG2-CG 3.35Å; V138-R161 HydrophobicContact CG2-CG 4.48Å; E143-R161 IonicContact OE1-CZ 2.76Å; E143-R161 VanDerWaalsContact OE1-CZ 3.24Å; E143-R161 IonicContact OE1-NH1 3.24Å; E143-R161 PolarHBondContact OE1-NH1 3.35Å; E143-R161 IonicContact OE1-NH2 3.6Å; E143-R161 PolarHBondContact OE1-NH2 3.22Å; E143-R161 IonicContact OE2-NH1 3.53Å; V159-R161 HydrophobicContact CG2-CG 4.37Å; R161-G163 PolarHBondContact O-N 3.1Å; R161-A204 PolarHBondContact NE-O 3.1Å; R161-A204 PolarHBondContact NH2-O 3.29Å
162C98.1Very high95.1Very high26 Ų2659 Ų5918%0.17633%0.327CS..EExtended strand (participates in β ladder)trans-74.1128.4178.6-68.50000109.4N175 H206 C209C162-N175 WeakPolarHBondContact SG-CA 3.4Å; C162-N175 PolarHBondContact SG-N 3.42Å; C162-H206 PolarHBondContact N-ND1 3.15Å; C162-H206 PolarHBondContact SG-ND1 2.86Å; C162-C209 WeakPolarHBondContact CA-SG 3.46Å; C162-C209 HydrophobicContact CB-CB 3.77Å; C162-C209 WeakPolarHBondContact CB-SG 3.41Å; C162-C209 WeakPolarHBondContact SG-CB 3.38Å; C162-C209 CovalentContact SG-SG 2.02Å; C162-C209 PolarHBondContact SG-SG 2.99Å
163G96.9Very high95.2Very high21 Ų2158.7 Ų58.722%0.21633%0.329CS..EExtended strand (participates in β ladder)trans-155.1163.4177.900000112.1C131 M132 R134 R161C131-G163 WeakPolarHBondContact CA-O 3.28Å; M132-G163 PolarHBondContact N-O 3.33Å; M132-G163 PolarHBondContact O-N 3.49Å; M132-G163 VanDerWaalsContact O-N 3.09Å; M132-G163 VanDerWaalsContact O-O 3.05Å; R134-G163 PolarHBondContact NE-O 3.44Å; R161-G163 PolarHBondContact O-N 3.1Å
164G96.4Very high95.3Very high38 Ų3858.3 Ų58.339%0.39232%0.324SS..SBendtrans116.7-178.3-172.400000111.8T129T129-G164 CarbonylContact O-C 3.5Å; T129-G164 WeakPolarHBondContact O-CA 3.45Å
165C95.6Very high95.2Very high86 Ų8657 Ų5758%0.58131%0.313SS*.BIsolated β-bridgetrans-100.9149-175.1-61.20000110.9T129 C131T129-C165 PolarHBondContact O-N 2.83Å; C131-C165 PolarHBondContact N-O 3.48Å
166C95.4Very high95.2Very high28 Ų2857.7 Ų57.719%0.18931%0.312CS..  trans-100.8149.3168.9-68.70000109.4S168 K171 C173 C211C166-S168 VanDerWaalsContact C-N 3.3Å; C166-S168 PolarHBondContact O-N 3.08Å; C166-K171 HydrophobicContact CB-CB 3.99Å; C166-C173 PolarHBondContact SG-N 3.04Å; C166-C211 WeakPolarHBondContact CA-SG 3.43Å; C166-C211 HydrophobicContact CB-CB 3.78Å; C166-C211 WeakPolarHBondContact CB-SG 3.26Å; C166-C211 VanDerWaalsContact SG-CA 3.53Å; C166-C211 WeakPolarHBondContact SG-CB 3.49Å; C166-C211 CovalentContact SG-SG 2.03Å; C166-C211 PolarHBondContact SG-SG 3.06Å
167P91.7Very high95.1Very high50 Ų5057.5 Ų57.533%0.32531%0.312SS..SBendtrans-58-43.8178.6-25.934.8000112.2R53 S54R53-P167 CarbonylContact O-C 3.53Å; S54-P167 WeakPolarHBondContact O-CB 3.35Å
168S90.3Very high95Very high9 Ų959.2 Ų59.26%0.06332%0.322CS..SBendtrans-106.6141.5-175.9-41.80000111.9C166 D170 K171C166-S168 VanDerWaalsContact C-N 3.3Å; C166-S168 PolarHBondContact O-N 3.08Å; S168-D170 VanDerWaalsContact C-N 3.25Å; S168-D170 WeakPolarHBondContact CB-OD1 3.35Å; S168-D170 PolarHBondContact O-N 3.27Å; S168-K171 PolarHBondContact O-N 2.97Å
169E88.4Confident94.9Very high172 Ų17258.2 Ų58.280%0.80432%0.319SS*.THydrogen-bonded Turntrans-66-23.7-178.2-65.3177.1-16500113.7R53 K171R53-E169 IonicContact NH1-OE1 3.24Å; R53-E169 PolarHBondContact NH1-OE1 3.03Å; E169-K171 PolarHBondContact O-N 3.22Å
170D89.2Confident94.9Very high87 Ų8765.6 Ų65.647%0.46535%0.348SS..THydrogen-bonded Turntrans-76.2-4.3177.266.8-58000113.4S168S168-D170 VanDerWaalsContact C-N 3.25Å; S168-D170 WeakPolarHBondContact CB-OD1 3.35Å; S168-D170 PolarHBondContact O-N 3.27Å
171K93.1Very high94.8Very high87 Ų8764.3 Ų64.338%0.37835%0.348SS..EExtended strand (participates in β ladder)trans-112.2142.7-177.9-60.5-178.7-175.4176.90111.8C166 S168 E169 C211 L212C166-K171 HydrophobicContact CB-CB 3.99Å; S168-K171 PolarHBondContact O-N 2.97Å; E169-K171 PolarHBondContact O-N 3.22Å; K171-C211 HydrophobicContact CB-CB 4.09Å; K171-C211 HydrophobicContact CD-CB 4.22Å; K171-L212 WeakPolarHBondContact CA-O 3.36Å
172Q95.1Very high94.7Very high98 Ų9866.6 Ų66.646%0.45837%0.371SS..EExtended strand (participates in β ladder)trans-119.4136.9176.8-167.6173.336.700110.9R174 L212 I217Q172-R174 HydrophobicContact CB-CG 4.42Å; Q172-R174 HydrophobicContact CG-CG 4.38Å; Q172-R174 PolarHBondContact O-N 3.01Å; Q172-R174 VanDerWaalsContact OE1-CZ 3.22Å; Q172-L212 PolarHBondContact N-O 2.89Å; Q172-L212 PolarHBondContact O-N 3.24Å; Q172-I217 HydrophobicContact CB-CD1 4.44Å
173C96.7Very high94.6Very high23 Ų2368.2 Ų68.216%0.15537%0.374CS..EExtended strand (participates in β ladder)trans-70.1112.2174.8-175.10000110C131 C166C131-C173 VanDerWaalsContact CA-SG 3.51Å; C131-C173 HydrophobicContact CB-CB 3.74Å; C131-C173 WeakPolarHBondContact CB-SG 3.41Å; C131-C173 WeakPolarHBondContact SG-CA 3.48Å; C131-C173 WeakPolarHBondContact SG-CB 3.33Å; C131-C173 CovalentContact SG-SG 2.03Å; C131-C173 PolarHBondContact SG-SG 3.23Å; C166-C173 PolarHBondContact SG-N 3.04Å
174R96.1Very high94.6Very high106 Ų10671.6 Ų71.640%0.439%0.391SS..EExtended strand (participates in β ladder)trans-131.7157.9-175.9-69.5-68.4-172.7163.8-0.8110.8Q172 C209 S210 L212 I217Q172-R174 HydrophobicContact CB-CG 4.42Å; Q172-R174 HydrophobicContact CG-CG 4.38Å; Q172-R174 PolarHBondContact O-N 3.01Å; Q172-R174 VanDerWaalsContact OE1-CZ 3.22Å; R174-C209 CarbonylContact O-C 3.58Å; R174-C209 VanDerWaalsContact O-CA 3.23Å; R174-C209 WeakPolarHBondContact O-CA 3.39Å; R174-S210 PolarHBondContact N-O 3.39Å; R174-S210 PolarHBondContact O-N 3.23Å; R174-L212 HydrophobicContact CB-CD1 4.02Å; R174-L212 HydrophobicContact CB-CG 4.45Å; R174-I217 HydrophobicContact CG-CD1 4.2Å; R174-I217 HydrophobicContact CG-CG1 4.38Å
175N95.7Very high94.6Very high49 Ų4970.1 Ų70.126%0.26237%0.374SS..EExtended strand (participates in β ladder)trans-74.3134.9174.157.2-53.5000110.9C162 T178 H206 Q208 Q220C162-N175 WeakPolarHBondContact SG-CA 3.4Å; C162-N175 PolarHBondContact SG-N 3.42Å; N175-T178 PolarHBondContact ND2-OG1 3.11Å; N175-H206 HydrophobicContact CB-CB 4.24Å; N175-Q208 WeakPolarHBondContact CA-O 3.45Å; N175-Q220 PolarHBondContact O-NE2 3.48Å
176I94.3Very high94.5Very high80 Ų8070.9 Ų70.941%0.4137%0.368SS..EExtended strand (participates in β ladder)trans-96.6-32.6168.2-51.9166000109.9Q208I176-Q208 HydrophobicContact CD1-CG 4.39Å; I176-Q208 PolarHBondContact N-O 3.16Å
177S94.4Very high94.4Very high41 Ų4172.2 Ų72.229%0.28737%0.371SS..EExtended strand (participates in β ladder)trans-136.6148.6176.662.20000111.5T207 Q208S177-T207 PolarHBondContact O-N 3.41Å; S177-T207 PolarHBondContact O-OG1 2.87Å; S177-T207 PolarHBondContact OG-OG1 3.47Å; S177-Q208 PolarHBondContact N-O 3.29Å; S177-Q208 WeakPolarHBondContact OG-CB 3.39Å; S177-Q208 PolarHBondContact OG-N 2.64Å
178T96.1Very high94.4Very high47 Ų4771.6 Ų71.629%0.28837%0.365SS..EExtended strand (participates in β ladder)trans-144.8123.7-175.3-61.30000109.1N175 Y180 A204N175-T178 PolarHBondContact ND2-OG1 3.11Å; T178-Y180 HydrophobicContact CG2-CE2 4.49Å; T178-A204 HydrophobicContact CG2-CB 3.92Å
179G96.2Very high94.4Very high27 Ų2773.6 Ų73.628%0.27838%0.377SS..EExtended strand (participates in β ladder)trans-93.3171.3164.800000110.4N205G179-N205 PolarHBondContact N-O 2.87Å; G179-N205 PolarHBondContact O-N 3Å
180Y96.5Very high94.5Very high157 Ų15768.8 Ų68.862%0.61636%0.359SS*.EExtended strand (participates in β ladder)trans-122.5134.7173.4-72.7-94.1000109.3T178 S202 V203 A204T178-Y180 HydrophobicContact CG2-CE2 4.49Å; Y180-S202 WeakPolarHBondContact CB-OG 3.3Å; Y180-V203 WeakPolarHBondContact CA-O 3.42Å; Y180-A204 HydrophobicContact CD1-CB 4.36Å; Y180-A204 HydrophobicContact CE1-CB 3.98Å
181L95.8Very high94.3Very high74 Ų7469.3 Ų69.339%0.38737%0.367SS..EExtended strand (participates in β ladder)trans-112.6128.6178.5-64178.7000109.7V203 N205L181-V203 PolarHBondContact N-O 2.98Å; L181-V203 PolarHBondContact O-N 3.12Å; L181-N205 HydrophobicContact CD1-CB 3.81Å; L181-N205 HydrophobicContact CG-CB 3.82Å
182S96.8Very high93.7Very high93 Ų9371 Ų7165%0.6538%0.379SS*.EExtended strand (participates in β ladder)trans-77.2126.7172.2-57.80000110.2I201S182-I201 CarbonylContact C-O 3.47Å; S182-I201 VanDerWaalsContact CA-O 3.31Å; S182-I201 WeakPolarHBondContact CA-O 3.18Å
183K96.4Very high92.7Very high59 Ų5971.7 Ų71.726%0.25739%0.391SS..EExtended strand (participates in β ladder)trans-130.1137.6176.1-66.8-176.9-175.9-81.30109.7V157 S158 L185 T200 I201 V203V157-K183 HydrophobicContact CB-CD 3.49Å; V157-K183 VanDerWaalsContact CB-CD 3.49Å; V157-K183 HydrophobicContact CG1-CB 4.34Å; V157-K183 HydrophobicContact CG1-CD 3.54Å; V157-K183 HydrophobicContact CG2-CD 4.16Å; S158-K183 WeakPolarHBondContact O-CE 3.45Å; S158-K183 PolarHBondContact O-NZ 3.31Å; K183-L185 HydrophobicContact CB-CD1 4.41Å; K183-T200 CarbonylContact O-C 3.47Å; K183-T200 WeakPolarHBondContact O-CA 3.46Å; K183-I201 HydrophobicContact CB-CG1 4.27Å; K183-I201 PolarHBondContact N-O 2.85Å; K183-I201 WeakPolarHBondContact O-CG1 3.28Å; K183-I201 PolarHBondContact O-N 3.17Å; K183-V203 HydrophobicContact CD-CG2 4.42Å
184T96.6Very high91.3Very high93 Ų9376.5 Ų76.557%0.57141%0.411SS*.EExtended strand (participates in β ladder)trans-103.9129-178.6-53.60000110.2P198 V199 T200T184-P198 HydrophobicContact CG2-CB 4.13Å; T184-V199 CarbonylContact C-O 3.58Å; T184-V199 WeakPolarHBondContact CA-O 3.3Å; T184-T200 PolarHBondContact OG1-OG1 3.07Å
185L95.6Very high90.2Very high6 Ų674.2 Ų74.23%0.03142%0.421CS..EExtended strand (participates in β ladder)trans-135.4163.6180-5098.6000109.6V140 P154 V157 K183 P198 V199 I201V140-L185 HydrophobicContact CG2-CD2 3.98Å; P154-L185 HydrophobicContact CG-CD2 4.04Å; P154-L185 WeakPolarHBondContact O-CD2 3.41Å; V157-L185 HydrophobicContact CG1-CD1 4.41Å; V157-L185 HydrophobicContact CG1-CD2 3.82Å; K183-L185 HydrophobicContact CB-CD1 4.41Å; L185-P198 CarbonylContact O-C 3.53Å; L185-P198 WeakPolarHBondContact O-CA 3.1Å; L185-V199 PolarHBondContact N-O 3Å; L185-V199 PolarHBondContact O-N 3.48Å; L185-I201 HydrophobicContact CD1-CB 4.41Å; L185-I201 HydrophobicContact CD1-CD1 3.33Å; L185-I201 HydrophobicContact CD1-CG1 3.41Å; L185-I201 VanDerWaalsContact CD1-CG1 3.41Å; L185-I201 HydrophobicContact CD1-CG2 4.22Å
186F95.1Very high89.6Confident102 Ų10275.5 Ų75.545%0.44743%0.43SS..EExtended strand (participates in β ladder)trans-86.5126.3167.8-67.2-73000110.2Y152 K153 K197 P198Y152-F186 CarbonylContact C-O 3.46Å; Y152-F186 VanDerWaalsContact CA-O 3.31Å; Y152-F186 WeakPolarHBondContact CA-O 2.93Å; K153-F186 HydrophobicContact CB-CB 4.25Å; K153-F186 PolarHBondContact N-O 2.85Å; K153-F186 PolarHBondContact O-N 3.04Å; F186-K197 WeakPolarHBondContact CA-O 3.35Å; F186-P198 HydrophobicContact CD1-CB 4.38Å; F186-P198 HydrophobicContact CE1-CB 4.2Å
187E93Very high89.2Confident56 Ų5676.9 Ų76.926%0.26243%0.433SS..EExtended strand (participates in β ladder)trans-94.4133168.6-170.7176.6112.200109.5V150 Y152 K197 V199V150-E187 HydrophobicContact CG1-CG 3.6Å; Y152-E187 HydrophobicContact CD1-CB 4.22Å; Y152-E187 HydrophobicContact CD1-CG 4.36Å; Y152-E187 HydrophobicContact CE1-CB 3.91Å; Y152-E187 HydrophobicContact CE1-CG 3.77Å; Y152-E187 WeakPolarHBondContact CE1-OE2 3.47Å; Y152-E187 PolarHBondContact OH-OE2 3.31Å; E187-K197 PolarHBondContact N-O 3.16Å; E187-K197 PolarHBondContact O-N 3.32Å; E187-V199 HydrophobicContact CB-CB 4.35Å; E187-V199 HydrophobicContact CB-CG2 3.69Å
188I91.1Very high89.2Confident37 Ų3779.1 Ų79.119%0.1945%0.447CS..EExtended strand (participates in β ladder)trans-127.9121.7-178.3-50.4-174.3000108.6V150 F151 K153 L192 T196V150-I188 CarbonylContact C-O 3.34Å; V150-I188 WeakPolarHBondContact CA-O 3.22Å; F151-I188 PolarHBondContact N-O 3.23Å; F151-I188 PolarHBondContact O-N 2.64Å; K153-I188 HydrophobicContact CG-CD1 3.83Å; I188-L192 HydrophobicContact CG2-CD1 4.19Å; I188-T196 HydrophobicContact CD1-CG2 3.84Å; I188-T196 HydrophobicContact CG1-CG2 3.78Å
189T90.6Very high89.1Confident52 Ų5279 Ų7932%0.31945%0.446SS..EExtended strand (participates in β ladder)trans-109.2132.7177.1-49.60000110.2N149 V150 P191N149-T189 WeakPolarHBondContact ND2-CG2 3.43Å; N149-T189 CarbonylContact O-C 3.41Å; N149-T189 VanDerWaalsContact O-CA 3.28Å; N149-T189 WeakPolarHBondContact O-CA 3.41Å; V150-T189 HydrophobicContact CG2-CG2 4.18Å; T189-P191 CarbonylContact O-C 3.18Å
190V89.2Confident89.1Confident71 Ų7181.8 Ų81.843%0.4346%0.458SS..SBendtrans-108.3134.9-178.4-178.40000110.2N149 F151 L192N149-V190 WeakPolarHBondContact CB-O 3.29Å; N149-V190 PolarHBondContact O-N 2.89Å; F151-V190 HydrophobicContact CD2-CG2 4.17Å; F151-V190 HydrophobicContact CE2-CG2 4.02Å; V190-L192 HydrophobicContact CG2-CD1 4.37Å
191P86.1Confident89Confident98 Ų9875 Ų7564%0.63643%0.432SS*.SBendcis-66.7149.8-1.928.4-34.1000112.6T189 T193T189-P191 CarbonylContact O-C 3.18Å; P191-T193 HydrophobicContact CG-CG2 4.36Å; P191-T193 PolarHBondContact O-N 3.47Å
192L81.3Confident89Confident121 Ų12174.3 Ų74.363%0.63443%0.434SS*.  trans-66.382-179.3-93.381.7000110.6I188 V190I188-L192 HydrophobicContact CG2-CD1 4.19Å; V190-L192 HydrophobicContact CG2-CD1 4.37Å
193T73.4Confident89Confident114 Ų11470 Ų7070%0.69940%0.403SS*.SBendtrans-88.4-24.3173.753.30000111.5P191P191-T193 HydrophobicContact CG-CG2 4.36Å; P191-T193 PolarHBondContact O-N 3.47Å
194Q67.1Low88.9Confident123 Ų12368 Ų6858%0.57540%0.398SS*.SBendtrans-133.6140.6177.8-60.2178.78.800107.7
195G73.4Confident89Confident59 Ų5964.6 Ų64.661%0.60838%0.376SS*.  trans-59.5169.9178.300000113.1K197G195-K197 PolarHBondContact O-N 3.18Å
196T83.4Confident89.1Confident75 Ų7565.8 Ų65.846%0.4638%0.381SS..  trans-63122.6-179.958.70000111I188I188-T196 HydrophobicContact CD1-CG2 3.84Å; I188-T196 HydrophobicContact CG1-CG2 3.78Å
197K85.8Confident89.2Confident109 Ų10964.9 Ų64.947%0.47439%0.385SS..EExtended strand (participates in β ladder)trans-104.7132-178.6-71175.6177.6176.90110.5F186 E187 G195 V199F186-K197 WeakPolarHBondContact CA-O 3.35Å; E187-K197 PolarHBondContact N-O 3.16Å; E187-K197 PolarHBondContact O-N 3.32Å; G195-K197 PolarHBondContact O-N 3.18Å; K197-V199 PolarHBondContact O-N 3.18Å
198P93.7Very high89.4Confident89 Ų8967.4 Ų67.458%0.57840%0.397SS*.EExtended strand (participates in β ladder)trans-70.8123.2169.729-31.6000109.4T184 L185 F186T184-P198 HydrophobicContact CG2-CB 4.13Å; L185-P198 CarbonylContact O-C 3.53Å; L185-P198 WeakPolarHBondContact O-CA 3.1Å; F186-P198 HydrophobicContact CD1-CB 4.38Å; F186-P198 HydrophobicContact CE1-CB 4.2Å
199V94.5Very high89.6Confident44 Ų4466.5 Ų66.527%0.26739%0.393SS..EExtended strand (participates in β ladder)trans-119.8134.3178.7177.30000108.7T184 L185 E187 K197 I201T184-V199 CarbonylContact C-O 3.58Å; T184-V199 WeakPolarHBondContact CA-O 3.3Å; L185-V199 PolarHBondContact N-O 3Å; L185-V199 PolarHBondContact O-N 3.48Å; E187-V199 HydrophobicContact CB-CB 4.35Å; E187-V199 HydrophobicContact CB-CG2 3.69Å; K197-V199 PolarHBondContact O-N 3.18Å; V199-I201 HydrophobicContact CG1-CG2 4.27Å
200T95.7Very high89.9Confident85 Ų8566.1 Ų66.152%0.52139%0.393SS..EExtended strand (participates in β ladder)trans-97.1117.2173.2-60.10000109.3K183 T184K183-T200 CarbonylContact O-C 3.47Å; K183-T200 WeakPolarHBondContact O-CA 3.46Å; T184-T200 PolarHBondContact OG1-OG1 3.07Å
201I94.2Very high90.2Very high15 Ų1564.2 Ų64.28%0.07738%0.382CS..EExtended strand (participates in β ladder)trans-100152.7175.366.6172000110.2V140 F144 V157 S182 K183 L185 V199 V203V140-I201 HydrophobicContact CB-CD1 4.28Å; V140-I201 HydrophobicContact CG1-CD1 3.5Å; V140-I201 VanDerWaalsContact CG1-CD1 3.5Å; V140-I201 HydrophobicContact CG2-CD1 3.74Å; F144-I201 HydrophobicContact CE2-CB 4.45Å; F144-I201 HydrophobicContact CE2-CD1 3.84Å; F144-I201 HydrophobicContact CZ-CB 4.28Å; F144-I201 HydrophobicContact CZ-CD1 4.38Å; V157-I201 HydrophobicContact CG1-CD1 4.48Å; S182-I201 CarbonylContact C-O 3.47Å; S182-I201 VanDerWaalsContact CA-O 3.31Å; S182-I201 WeakPolarHBondContact CA-O 3.18Å; K183-I201 HydrophobicContact CB-CG1 4.27Å; K183-I201 PolarHBondContact N-O 2.85Å; K183-I201 WeakPolarHBondContact O-CG1 3.28Å; K183-I201 PolarHBondContact O-N 3.17Å; L185-I201 HydrophobicContact CD1-CB 4.41Å; L185-I201 HydrophobicContact CD1-CD1 3.33Å; L185-I201 HydrophobicContact CD1-CG1 3.41Å; L185-I201 VanDerWaalsContact CD1-CG1 3.41Å; L185-I201 HydrophobicContact CD1-CG2 4.22Å; V199-I201 HydrophobicContact CG1-CG2 4.27Å; I201-V203 HydrophobicContact CD1-CG2 3.48Å; I201-V203 VanDerWaalsContact CD1-CG2 3.48Å; I201-V203 HydrophobicContact CG1-CG2 3.65Å
202S95.9Very high90.6Very high60 Ų6060.7 Ų60.742%0.4236%0.358SS..EExtended strand (participates in β ladder)trans-108.1109176.2-1740000109.7F144 Y180F144-S202 VanDerWaalsContact CZ-O 3.31Å; F144-S202 WeakPolarHBondContact CZ-O 3.25Å; Y180-S202 WeakPolarHBondContact CB-OG 3.3Å
203V96.1Very high91.2Very high1 Ų156 Ų561%0.00634%0.335CS..EExtended strand (participates in β ladder)trans-107.9131.6-171.1-166.60000110.4F144 V157 V159 Y180 L181 K183 I201 N205F144-V203 HydrophobicContact CE2-CG2 4.18Å; F144-V203 HydrophobicContact CZ-CG2 4.16Å; V157-V203 HydrophobicContact CG2-CG1 4.13Å; V157-V203 HydrophobicContact CG2-CG2 4.2Å; V159-V203 HydrophobicContact CG1-CB 4.06Å; V159-V203 HydrophobicContact CG1-CG1 3.72Å; V159-V203 HydrophobicContact CG2-CG1 4.26Å; Y180-V203 WeakPolarHBondContact CA-O 3.42Å; L181-V203 PolarHBondContact N-O 2.98Å; L181-V203 PolarHBondContact O-N 3.12Å; K183-V203 HydrophobicContact CD-CG2 4.42Å; I201-V203 HydrophobicContact CD1-CG2 3.48Å; I201-V203 VanDerWaalsContact CD1-CG2 3.48Å; I201-V203 HydrophobicContact CG1-CG2 3.65Å; V203-N205 PolarHBondContact O-N 3.48Å
204A95.9Very high91.9Very high19 Ų1959.2 Ų59.216%0.15734%0.339CS..EExtended strand (participates in β ladder)trans-62.2128.8177.100000111.5R161 T178 Y180R161-A204 PolarHBondContact NE-O 3.1Å; R161-A204 PolarHBondContact NH2-O 3.29Å; T178-A204 HydrophobicContact CG2-CB 3.92Å; Y180-A204 HydrophobicContact CD1-CB 4.36Å; Y180-A204 HydrophobicContact CE1-CB 3.98Å
205N97.6Very high92.8Very high21 Ų2159.2 Ų59.211%0.11234%0.343CS..EExtended strand (participates in β ladder)trans-127107.2180-173.576.4000109.3Y160 G179 L181 V203 T207Y160-N205 WeakPolarHBondContact CB-OD1 3.46Å; Y160-N205 PolarHBondContact N-OD1 3.34Å; G179-N205 PolarHBondContact N-O 2.87Å; G179-N205 PolarHBondContact O-N 3Å; L181-N205 HydrophobicContact CD1-CB 3.81Å; L181-N205 HydrophobicContact CG-CB 3.82Å; V203-N205 PolarHBondContact O-N 3.48Å; N205-T207 PolarHBondContact O-N 3.36Å
206H97.7Very high93.5Very high30 Ų3059.4 Ų59.414%0.13933%0.329CS..EExtended strand (participates in β ladder)trans-70.9129.5-178.3-59.6-179.3000109.6Y160 C162 N175Y160-H206 PolarHBondContact O-N 3.04Å; C162-H206 PolarHBondContact N-ND1 3.15Å; C162-H206 PolarHBondContact SG-ND1 2.86Å; N175-H206 HydrophobicContact CB-CB 4.24Å
207T96.6Very high93.6Very high84 Ų8457.6 Ų57.652%0.51532%0.317SS..EExtended strand (participates in β ladder)trans-105.8-25.1-178.4450000112.3S177 N205S177-T207 PolarHBondContact O-N 3.41Å; S177-T207 PolarHBondContact O-OG1 2.87Å; S177-T207 PolarHBondContact OG-OG1 3.47Å; N205-T207 PolarHBondContact O-N 3.36Å
208Q97.4Very high93.5Very high109 Ų10959.7 Ų59.751%0.50932%0.323SS..EExtended strand (participates in β ladder)trans-144.4140.5175.3-164.4177.227.500111.2N175 I176 S177N175-Q208 WeakPolarHBondContact CA-O 3.45Å; I176-Q208 HydrophobicContact CD1-CG 4.39Å; I176-Q208 PolarHBondContact N-O 3.16Å; S177-Q208 PolarHBondContact N-O 3.29Å; S177-Q208 WeakPolarHBondContact OG-CB 3.39Å; S177-Q208 PolarHBondContact OG-N 2.64Å
209C97Very high93Very high17 Ų1763.9 Ų63.912%0.11533%0.327CS..EExtended strand (participates in β ladder)trans-126.4152.4-179.8-52.10000111M132 P133 C162 R174M132-C209 VanDerWaalsContact C-SG 3.52Å; P133-C209 VanDerWaalsContact CD-SG 3.53Å; C162-C209 WeakPolarHBondContact CA-SG 3.46Å; C162-C209 HydrophobicContact CB-CB 3.77Å; C162-C209 WeakPolarHBondContact CB-SG 3.41Å; C162-C209 WeakPolarHBondContact SG-CB 3.38Å; C162-C209 CovalentContact SG-SG 2.02Å; C162-C209 PolarHBondContact SG-SG 2.99Å; R174-C209 CarbonylContact O-C 3.58Å; R174-C209 VanDerWaalsContact O-CA 3.23Å; R174-C209 WeakPolarHBondContact O-CA 3.39Å
210S96Very high92.2Very high45 Ų4565.2 Ų65.232%0.31533%0.33SS..EExtended strand (participates in β ladder)trans-150.2159.3170.2-179.50000111.4R174 L212R174-S210 PolarHBondContact N-O 3.39Å; R174-S210 PolarHBondContact O-N 3.23Å; S210-L212 PolarHBondContact O-N 2.85Å
211C96Very high91.4Very high31 Ų3166.2 Ų66.221%0.20934%0.336CS..EExtended strand (participates in β ladder)trans-83.1105.5173.7-72.60000109.8C131 C166 K171C131-C211 VanDerWaalsContact CB-SG 3.58Å; C166-C211 WeakPolarHBondContact CA-SG 3.43Å; C166-C211 HydrophobicContact CB-CB 3.78Å; C166-C211 WeakPolarHBondContact CB-SG 3.26Å; C166-C211 VanDerWaalsContact SG-CA 3.53Å; C166-C211 WeakPolarHBondContact SG-CB 3.49Å; C166-C211 CovalentContact SG-SG 2.03Å; C166-C211 PolarHBondContact SG-SG 3.06Å; K171-C211 HydrophobicContact CB-CB 4.09Å; K171-C211 HydrophobicContact CD-CB 4.22Å
212L94.4Very high90.3Very high24 Ų2470.4 Ų70.413%0.12636%0.355CS..EExtended strand (participates in β ladder)trans-107.7138.8-175.6-59.1-177.2000110.7K171 Q172 R174 S210 D216 I217K171-L212 WeakPolarHBondContact CA-O 3.36Å; Q172-L212 PolarHBondContact N-O 2.89Å; Q172-L212 PolarHBondContact O-N 3.24Å; R174-L212 HydrophobicContact CB-CD1 4.02Å; R174-L212 HydrophobicContact CB-CG 4.45Å; S210-L212 PolarHBondContact O-N 2.85Å; L212-D216 HydrophobicContact CB-CB 4.07Å; L212-D216 HydrophobicContact CD2-CB 4.24Å; L212-I217 HydrophobicContact CB-CG1 3.85Å; L212-I217 HydrophobicContact CD1-CG1 4.46Å
213S93.5Very high88.6Confident21 Ų2171.7 Ų71.715%0.14736%0.364CS..EExtended strand (participates in β ladder)trans-73.2165.4170.172.90000110.8L215 D216 I217S213-L215 PolarHBondContact O-N 3.48Å; S213-L215 PolarHBondContact OG-N 2.97Å; S213-D216 WeakPolarHBondContact CB-OD2 3.14Å; S213-D216 PolarHBondContact N-OD2 3.42Å; S213-D216 PolarHBondContact O-N 3.25Å; S213-D216 VanDerWaalsContact O-N 3.07Å; S213-D216 PolarHBondContact OG-N 3.31Å; S213-D216 PolarHBondContact OG-OD2 2.94Å; S213-I217 WeakPolarHBondContact O-CG1 3.35Å; S213-I217 PolarHBondContact O-N 3.5Å
214K88.3Confident86.8Confident182 Ų18277.4 Ų77.479%0.79139%0.394SS*.Hα-helixtrans-53.2-37.4173.6-67.5-179.5-179.1174.40112.7Y218K214-Y218 PolarHBondContact O-N 3.42Å
215L86.5Confident84.8Confident124 Ų12484.1 Ų84.165%0.64943%0.425SS*.Hα-helixtrans-70.2-39.9178.1-68.6172.9000112.1S213 I217 Y218 R219S213-L215 PolarHBondContact O-N 3.48Å; S213-L215 PolarHBondContact OG-N 2.97Å; L215-I217 VanDerWaalsContact C-N 3.35Å; L215-Y218 PolarHBondContact O-N 3.48Å; L215-R219 WeakPolarHBondContact O-CG 3.46Å; L215-R219 PolarHBondContact O-N 3.31Å
216D87.3Confident82.7Confident62 Ų6291.2 Ų91.233%0.33245%0.45SS..Hα-helixtrans-67.8-37.9178.7-60.9-45000111.4L212 S213 Y218 R219 Q220L212-D216 HydrophobicContact CB-CB 4.07Å; L212-D216 HydrophobicContact CD2-CB 4.24Å; S213-D216 WeakPolarHBondContact CB-OD2 3.14Å; S213-D216 PolarHBondContact N-OD2 3.42Å; S213-D216 PolarHBondContact O-N 3.25Å; S213-D216 VanDerWaalsContact O-N 3.07Å; S213-D216 PolarHBondContact OG-N 3.31Å; S213-D216 PolarHBondContact OG-OD2 2.94Å; D216-Y218 VanDerWaalsContact C-N 3.34Å; D216-Y218 PolarHBondContact O-N 3.03Å; D216-R219 PolarHBondContact O-N 3.22Å; D216-Q220 WeakPolarHBondContact O-CB 3.49Å; D216-Q220 PolarHBondContact O-N 2.88Å
217I85.3Confident80.4Confident38 Ų38100.7 Ų100.720%0.19549%0.485CS..Hα-helixtrans-60.1-46.8173.2-64.9166.9000110.1Q172 R174 L212 S213 L215 R219 Q220 V221Q172-I217 HydrophobicContact CB-CD1 4.44Å; R174-I217 HydrophobicContact CG-CD1 4.2Å; R174-I217 HydrophobicContact CG-CG1 4.38Å; L212-I217 HydrophobicContact CB-CG1 3.85Å; L212-I217 HydrophobicContact CD1-CG1 4.46Å; S213-I217 WeakPolarHBondContact O-CG1 3.35Å; S213-I217 PolarHBondContact O-N 3.5Å; L215-I217 VanDerWaalsContact C-N 3.35Å; I217-R219 VanDerWaalsContact C-N 3.32Å; I217-R219 PolarHBondContact O-N 2.81Å; I217-Q220 PolarHBondContact O-N 2.92Å; I217-V221 WeakPolarHBondContact O-CG2 3.05Å; I217-V221 PolarHBondContact O-N 3.35Å
218Y83.5Confident78.1Confident153 Ų153101.1 Ų101.160%0.650%0.497SS*.Hα-helixtrans-59.6-43.5176.7-175.6-93.5000111.7K214 L215 D216 Q220 V221 H222K214-Y218 PolarHBondContact O-N 3.42Å; L215-Y218 PolarHBondContact O-N 3.48Å; D216-Y218 VanDerWaalsContact C-N 3.34Å; D216-Y218 PolarHBondContact O-N 3.03Å; Y218-Q220 VanDerWaalsContact C-N 3.35Å; Y218-Q220 PolarHBondContact O-N 2.93Å; Y218-V221 PolarHBondContact O-N 3.27Å; Y218-H222 AromaticContact CD2-CD2 3.53Å; Y218-H222 AromaticContact CD2-NE2 3.93Å; Y218-H222 HydrophobicContact CE1-CB 4.48Å; Y218-H222 AromaticContact CE1-CD2 3.93Å; Y218-H222 AromaticContact CE2-CD2 3.29Å; Y218-H222 WeakPolarHBondContact CE2-CD2 3.37Å; Y218-H222 AromaticContact CE2-NE2 3.47Å; Y218-H222 WeakPolarHBondContact CE2-NE2 3.47Å; Y218-H222 AromaticContact CG-CD2 3.95Å; Y218-H222 AromaticContact CZ-CD2 3.5Å; Y218-H222 AromaticContact CZ-NE2 3.97Å; Y218-H222 WeakPolarHBondContact O-CB 3.38Å; Y218-H222 PolarHBondContact O-CD2 2.98Å; Y218-H222 VanDerWaalsContact O-CD2 3.31Å; Y218-H222 PolarHBondContact O-N 2.98Å
219R83.1Confident75.7Confident176 Ų176101.1 Ų101.166%0.66450%0.5SS*.Hα-helixtrans-64.6-36.4176.5-73.3175.3176.2-178.8-1.1113.1L215 D216 I217 H222 S223L215-R219 WeakPolarHBondContact O-CG 3.46Å; L215-R219 PolarHBondContact O-N 3.31Å; D216-R219 PolarHBondContact O-N 3.22Å; I217-R219 VanDerWaalsContact C-N 3.32Å; I217-R219 PolarHBondContact O-N 2.81Å; R219-H222 CarbonylContact O-C 3.53Å; R219-S223 WeakPolarHBondContact O-CA 3.45Å; R219-S223 PolarHBondContact O-N 3.16Å
220Q78.4Confident73.6Confident72 Ų72104.9 Ų104.934%0.33652%0.524SS..Hα-helixtrans-69.2-42.7179.1-171.8-176.40.800111.5N175 D216 I217 Y218 S223N175-Q220 PolarHBondContact O-NE2 3.48Å; D216-Q220 WeakPolarHBondContact O-CB 3.49Å; D216-Q220 PolarHBondContact O-N 2.88Å; I217-Q220 PolarHBondContact O-N 2.92Å; Y218-Q220 VanDerWaalsContact C-N 3.35Å; Y218-Q220 PolarHBondContact O-N 2.93Å; Q220-S223 PolarHBondContact O-OG 2.95Å
221V77.7Confident71.8Confident107 Ų107110.6 Ų110.665%0.64855%0.546SS*.Hα-helixtrans-70.7-40177.8176.10000111.2I217 Y218 S223I217-V221 WeakPolarHBondContact O-CG2 3.05Å; I217-V221 PolarHBondContact O-N 3.35Å; Y218-V221 PolarHBondContact O-N 3.27Å; V221-S223 VanDerWaalsContact C-N 3.35Å
222H71.4Confident70Confident102 Ų102110.7 Ų110.747%0.47255%0.547SS..THydrogen-bonded Turntrans-100.437.7178.5-60.8-73.3000111.9Y218 R219 I224Y218-H222 AromaticContact CD2-CD2 3.53Å; Y218-H222 AromaticContact CD2-NE2 3.93Å; Y218-H222 HydrophobicContact CE1-CB 4.48Å; Y218-H222 AromaticContact CE1-CD2 3.93Å; Y218-H222 AromaticContact CE2-CD2 3.29Å; Y218-H222 WeakPolarHBondContact CE2-CD2 3.37Å; Y218-H222 AromaticContact CE2-NE2 3.47Å; Y218-H222 WeakPolarHBondContact CE2-NE2 3.47Å; Y218-H222 AromaticContact CG-CD2 3.95Å; Y218-H222 AromaticContact CZ-CD2 3.5Å; Y218-H222 AromaticContact CZ-NE2 3.97Å; Y218-H222 WeakPolarHBondContact O-CB 3.38Å; Y218-H222 PolarHBondContact O-CD2 2.98Å; Y218-H222 VanDerWaalsContact O-CD2 3.31Å; Y218-H222 PolarHBondContact O-N 2.98Å; R219-H222 CarbonylContact O-C 3.53Å; H222-I224 PolarHBondContact O-N 3.1Å
223S60.2Low68.4Low87 Ų87113.8 Ų113.861%0.60858%0.576SS**  trans-67.977.7170.869.40000108.4R219 Q220 V221 I225R219-S223 WeakPolarHBondContact O-CA 3.45Å; R219-S223 PolarHBondContact O-N 3.16Å; Q220-S223 PolarHBondContact O-OG 2.95Å; V221-S223 VanDerWaalsContact C-N 3.35Å; S223-I225 PolarHBondContact O-N 2.05Å; S223-I225 VanDerWaalsContact O-N 3.16Å
224I58.8Low66.6Low122 Ų122121.7 Ų121.763%0.62662%0.615SS**  trans-53.8123162.2-61.9168.6000103.6H222 R226H222-I224 PolarHBondContact O-N 3.1Å; I224-R226 HydrophobicContact CB-CG 4.43Å; I224-R226 HydrophobicContact CG2-CG 4.13Å; I224-R226 PolarHBondContact O-N 2.91Å
225I54.8Low64.8Low160 Ų160115.4 Ų115.482%0.82160%0.598SS**  trans-60.380.8167.3-56.8170.3000105.9S223 R227S223-I225 PolarHBondContact O-N 2.05Å; S223-I225 VanDerWaalsContact O-N 3.16Å; I225-R227 PolarHBondContact O-N 2.97Å
226R53.7Low63.5Low169 Ų169116.7 Ų116.764%0.63861%0.605SS**  trans-72.598.8159.9-67.2-174.4-177.1-1193.2101.8I224 A228 L229I224-R226 HydrophobicContact CB-CG 4.43Å; I224-R226 HydrophobicContact CG2-CG 4.13Å; I224-R226 PolarHBondContact O-N 2.91Å; R226-A228 PolarHBondContact O-N 2.87Å; R226-L229 HydrophobicContact CB-CD1 4.14Å; R226-L229 HydrophobicContact CG-CD1 4.12Å
227R49Very low62.2Low229 Ų229123.7 Ų123.786%0.86463%0.627SS**  trans-36.5117.4143.3-74.7-178.5-179.11280.2104I225 L229I225-R227 PolarHBondContact O-N 2.97Å; R227-L229 PolarHBondContact O-N 2.78Å
228A48.7Very low61.4Low94 Ų94127.7 Ų127.778%0.77765%0.653SS**  trans-37.4107.1-17500000107.5R226 P230R226-A228 PolarHBondContact O-N 2.87Å; A228-P230 WeakPolarHBondContact O-CD 3.06Å; A228-P230 VanDerWaalsContact O-N 3.14Å
229L47.1Very low61Low108 Ų108121.9 Ų121.957%0.56563%0.634SS**  trans-57.7128.1173.3-99.394.3000102.9R226 R227 E231R226-L229 HydrophobicContact CB-CD1 4.14Å; R226-L229 HydrophobicContact CG-CD1 4.12Å; R227-L229 PolarHBondContact O-N 2.78Å; L229-E231 PolarHBondContact O-N 3.32Å
230P52Low60.7Low97 Ų97116.7 Ų116.763%0.6362%0.624SS**  trans-48.6125.2173.3-22.431.1000106.8A228 C232A228-P230 WeakPolarHBondContact O-CD 3.06Å; A228-P230 VanDerWaalsContact O-N 3.14Å; P230-C232 CarbonylContact O-C 3.58Å; P230-C232 VanDerWaalsContact O-C 3.31Å; P230-C232 WeakPolarHBondContact O-CA 3.34Å; P230-C232 PolarHBondContact O-N 2.75Å
231E58.2Low60.5Low165 Ų165119.9 Ų119.977%0.77165%0.651SS**SBendtrans-55.6-14.9-171.3-74179.9151.400112.7L229 C250L229-E231 PolarHBondContact O-N 3.32Å; E231-C250 PolarHBondContact O-SG 3.43Å
232C58.5Low60.2Low32 Ų32116.9 Ų116.922%0.21664%0.642CS.*SBendtrans-134.9128.6156.2-51.60000109.3P230 L234 W245 C250P230-C232 CarbonylContact O-C 3.58Å; P230-C232 VanDerWaalsContact O-C 3.31Å; P230-C232 WeakPolarHBondContact O-CA 3.34Å; P230-C232 PolarHBondContact O-N 2.75Å; C232-L234 PolarHBondContact O-N 3.19Å; C232-W245 HydrophobicContact CB-CZ2 4.18Å; C232-C250 HydrophobicContact CB-CB 3.95Å; C232-C250 WeakPolarHBondContact CB-SG 3Å; C232-C250 VanDerWaalsContact SG-CA 3.56Å; C232-C250 WeakPolarHBondContact SG-CB 3.36Å; C232-C250 CovalentContact SG-SG 2.05Å; C232-C250 PolarHBondContact SG-SG 3.33Å
233A59.4Low60.8Low89 Ų89115.9 Ų115.974%0.73664%0.637SS**  trans-63.3123.2171.600000109.2A235A233-A235 PolarHBondContact O-N 2.95Å
234L57.7Low61.8Low187 Ų187116.2 Ų116.298%0.97964%0.635SS**SBendtrans3.278.8169.4-72.8159.6000115.1C232C232-L234 PolarHBondContact O-N 3.19Å
235A50Low62.9Low51 Ų51113.2 Ų113.242%0.42162%0.616SS.*  trans-115.8122.4163.700000106.6A233 R237 W245A233-A235 PolarHBondContact O-N 2.95Å; A235-R237 PolarHBondContact O-N 2.74Å; A235-R237 VanDerWaalsContact O-N 3.1Å; A235-W245 HydrophobicContact CB-CH2 4.17Å
236N58.1Low63.9Low151 Ų151107.2 Ų107.281%0.80759%0.586SS**  trans-47.2119.3177.9-76.8-27.7000109.6T238N236-T238 PolarHBondContact O-N 2.58Å
237R61.6Low64.6Low208 Ų208103 Ų10379%0.78558%0.579SS**  trans-71.533.4-173.5-68.4-178.6164.6-176.2-4.5113.6A235A235-R237 PolarHBondContact O-N 2.74Å; A235-R237 VanDerWaalsContact O-N 3.1Å
238T67.3Low65.6Low122 Ų122101.5 Ų101.575%0.74858%0.579SS**  trans-110.299.1-174.6-220000108.6N236N236-T238 PolarHBondContact O-N 2.58Å
239C74.7Confident66.5Low31 Ų31102 Ų10221%0.20957%0.565CS.*PPolyproline II helixtrans-83.3149.6174-66.60000111Q243 C252C239-Q243 HydrophobicContact CB-CB 4.08Å; C239-Q243 WeakPolarHBondContact CB-O 3.44Å; C239-C252 WeakPolarHBondContact CA-SG 3.36Å; C239-C252 HydrophobicContact CB-CB 3.78Å; C239-C252 WeakPolarHBondContact CB-SG 3.4Å; C239-C252 WeakPolarHBondContact SG-CB 2.96Å; C239-C252 CovalentContact SG-SG 2.03Å; C239-C252 PolarHBondContact SG-SG 3.23Å
240P78.2Confident67.9Low68 Ų6899.4 Ų99.444%0.44256%0.555SS.*PPolyproline II helixtrans-57.9157.4171.6-19.130.2000111.9G242 Q243P240-G242 PolarHBondContact O-N 3.19Å; P240-Q243 PolarHBondContact O-N 2.03Å; P240-Q243 VanDerWaalsContact O-N 3.16Å
241P72.6Confident69Low138 Ų13899.7 Ų99.790%0.89655%0.548SS*.THydrogen-bonded Turntrans-56.2124.8178.23.4-4.5000111.3
242G73.1Confident70.2Confident45 Ų4593.6 Ų93.646%0.46452%0.523SS..THydrogen-bonded Turntrans97.83.3-178.600000116P240 M255P240-G242 PolarHBondContact O-N 3.19Å; G242-M255 WeakPolarHBondContact O-CG 3.42Å
243Q83.7Confident71.3Confident81 Ų8193.8 Ų93.838%0.37952%0.522SS..EExtended strand (participates in β ladder)trans-120.3147.8175.9-59.9-178.62300112.2C239 P240 C252 I253C239-Q243 HydrophobicContact CB-CB 4.08Å; C239-Q243 WeakPolarHBondContact CB-O 3.44Å; P240-Q243 PolarHBondContact O-N 2.03Å; P240-Q243 VanDerWaalsContact O-N 3.16Å; Q243-C252 HydrophobicContact CB-CB 3.99Å; Q243-I253 CarbonylContact C-O 3.59Å; Q243-I253 VanDerWaalsContact CA-O 3.27Å; Q243-I253 WeakPolarHBondContact CA-O 3.27Å; Q243-I253 WeakPolarHBondContact CB-O 3.45Å
244V80.3Confident72.1Confident93 Ų9392.1 Ų92.156%0.56451%0.505SS*.EExtended strand (participates in β ladder)trans-116.3135.9178.1-176.50000108.9N246 I253V244-N246 PolarHBondContact O-N 3.2Å; V244-I253 PolarHBondContact N-O 2.62Å; V244-I253 VanDerWaalsContact O-CG1 3.25Å; V244-I253 WeakPolarHBondContact O-CG1 3.47Å; V244-I253 PolarHBondContact O-N 2.83Å
245W82.3Confident72.2Confident59 Ų5990.2 Ų90.222%0.22349%0.492CS..EExtended strand (participates in β ladder)trans-68.3124.6176.4-178.5-98.6000110.8C232 A235 C250C232-W245 HydrophobicContact CB-CZ2 4.18Å; A235-W245 HydrophobicContact CB-CH2 4.17Å; W245-C250 HydrophobicContact CH2-CB 4.45Å; W245-C250 WeakPolarHBondContact CH2-O 3.48Å; W245-C250 HydrophobicContact CZ2-CB 4.15Å
246N76.5Confident72.6Confident35 Ų3591.7 Ų91.719%0.18751%0.505CS..EExtended strand (participates in β ladder)trans-98.1110.8173-172.1-20000110.9V244 K248 Q249 C250 Q251 I253V244-N246 PolarHBondContact O-N 3.2Å; N246-K248 PolarHBondContact O-N 2.84Å; N246-K248 WeakPolarHBondContact OD1-CB 3.25Å; N246-K248 PolarHBondContact OD1-N 2.67Å; N246-Q249 HydrophobicContact CB-CB 4.17Å; N246-Q249 PolarHBondContact ND2-NE2 2.92Å; N246-Q249 PolarHBondContact ND2-OE1 3.32Å; N246-Q249 PolarHBondContact O-N 2.81Å; N246-Q249 VanDerWaalsContact O-N 3.15Å; N246-C250 PolarHBondContact O-N 3.38Å; N246-Q251 PolarHBondContact N-O 3.36Å; N246-I253 HydrophobicContact CB-CD1 3.85Å; N246-I253 HydrophobicContact CB-CG1 3.99Å; N246-I253 HydrophobicContact CB-CG2 4.28Å
247T67.8Low72.1Confident79 Ų7988.1 Ų88.149%0.48549%0.491SS..THydrogen-bonded Turntrans-62.3-27.4178.9-39.30000113.5
248K70.5Confident71.6Confident199 Ų19984 Ų8487%0.86549%0.489SS*.THydrogen-bonded Turntrans-80.7-19.3178.3-62.3-169.8177.8-175.90113.5N246N246-K248 PolarHBondContact O-N 2.84Å; N246-K248 WeakPolarHBondContact OD1-CB 3.25Å; N246-K248 PolarHBondContact OD1-N 2.67Å
249Q66.3Low70.5Confident103 Ų10383.9 Ų83.948%0.48149%0.488SS..THydrogen-bonded Turntrans-116.8-4.2-175-64.1166.4-8.800112.5N246 Q251N246-Q249 HydrophobicContact CB-CB 4.17Å; N246-Q249 PolarHBondContact ND2-NE2 2.92Å; N246-Q249 PolarHBondContact ND2-OE1 3.32Å; N246-Q249 PolarHBondContact O-N 2.81Å; N246-Q249 VanDerWaalsContact O-N 3.15Å; Q249-Q251 HydrophobicContact CB-CG 3.9Å; Q249-Q251 PolarHBondContact O-N 2.83Å
250C76.3Confident68.8Low54 Ų5491.5 Ų91.537%0.36552%0.518SS..THydrogen-bonded Turntrans4641.5-175.5-63.90000114.3E231 C232 W245 N246E231-C250 PolarHBondContact O-SG 3.43Å; C232-C250 HydrophobicContact CB-CB 3.95Å; C232-C250 WeakPolarHBondContact CB-SG 3Å; C232-C250 VanDerWaalsContact SG-CA 3.56Å; C232-C250 WeakPolarHBondContact SG-CB 3.36Å; C232-C250 CovalentContact SG-SG 2.05Å; C232-C250 PolarHBondContact SG-SG 3.33Å; W245-C250 HydrophobicContact CH2-CB 4.45Å; W245-C250 WeakPolarHBondContact CH2-O 3.48Å; W245-C250 HydrophobicContact CZ2-CB 4.15Å; N246-C250 PolarHBondContact O-N 3.38Å
251Q76.7Confident67Low104 Ų10493.6 Ų93.649%0.48653%0.531SS..EExtended strand (participates in β ladder)trans-150.1158.3179.466.4-174.51.800111.5N246 Q249 I253N246-Q251 PolarHBondContact N-O 3.36Å; Q249-Q251 HydrophobicContact CB-CG 3.9Å; Q249-Q251 PolarHBondContact O-N 2.83Å; Q251-I253 HydrophobicContact CG-CG2 4.17Å
252C82.8Confident65.7Low37 Ų3792.5 Ų92.525%0.2552%0.524CS..EExtended strand (participates in β ladder)trans-76125.7170.4-61.40000109.7C239 Q243C239-C252 WeakPolarHBondContact CA-SG 3.36Å; C239-C252 HydrophobicContact CB-CB 3.78Å; C239-C252 WeakPolarHBondContact CB-SG 3.4Å; C239-C252 WeakPolarHBondContact SG-CB 2.96Å; C239-C252 CovalentContact SG-SG 2.03Å; C239-C252 PolarHBondContact SG-SG 3.23Å; Q243-C252 HydrophobicContact CB-CB 3.99Å
253I80.8Confident64.3Low36 Ų3696 Ų9619%0.18554%0.539CS..EExtended strand (participates in β ladder)trans-111.7143.5176.556.2167.8000110.4Q243 V244 N246 Q251Q243-I253 CarbonylContact C-O 3.59Å; Q243-I253 VanDerWaalsContact CA-O 3.27Å; Q243-I253 WeakPolarHBondContact CA-O 3.27Å; Q243-I253 WeakPolarHBondContact CB-O 3.45Å; V244-I253 PolarHBondContact N-O 2.62Å; V244-I253 VanDerWaalsContact O-CG1 3.25Å; V244-I253 WeakPolarHBondContact O-CG1 3.47Å; V244-I253 PolarHBondContact O-N 2.83Å; N246-I253 HydrophobicContact CB-CD1 3.85Å; N246-I253 HydrophobicContact CB-CG1 3.99Å; N246-I253 HydrophobicContact CB-CG2 4.28Å; Q251-I253 HydrophobicContact CG-CG2 4.17Å
254S76Confident62.4Low54 Ų5497.4 Ų97.438%0.37856%0.555SS.*EExtended strand (participates in β ladder)trans-69.6135.3174.7174.40000110.6A256 S257S254-A256 PolarHBondContact O-N 3.01Å; S254-A256 PolarHBondContact OG-N 2.82Å; S254-S257 PolarHBondContact O-N 2.82Å; S254-S257 PolarHBondContact O-OG 3.15Å
255M59.8Low60.4Low146 Ų14698.7 Ų98.772%0.71957%0.565SS**G310 helixtrans-55.3-15.9173.456.6-163.8-94.900114.1G242 S257G242-M255 WeakPolarHBondContact O-CG 3.42Å; M255-S257 VanDerWaalsContact C-N 3.33Å; M255-S257 PolarHBondContact O-N 2.7Å
256A58.3Low58.1Low82 Ų82103.4 Ų103.468%0.67859%0.594SS**G310 helixtrans-81.6-1.4175.400000114.9S254S254-A256 PolarHBondContact O-N 3.01Å; S254-A256 PolarHBondContact OG-N 2.82Å
257S49.6Very low56.1Low76 Ų76109.7 Ų109.753%0.53163%0.627SS.*G310 helixtrans-104.68.8-176.760.50000115.2S254 M255 V259S254-S257 PolarHBondContact O-N 2.82Å; S254-S257 PolarHBondContact O-OG 3.15Å; M255-S257 VanDerWaalsContact C-N 3.33Å; M255-S257 PolarHBondContact O-N 2.7Å; S257-V259 PolarHBondContact O-N 2.75Å
258V50Low54.5Low121 Ų121114.8 Ų114.873%0.73365%0.645SS**  trans-91.943.3169.4-163.80000110.9
259V45.2Very low52.6Low121 Ų121113.3 Ų113.373%0.73365%0.645SS**  trans-112.7100.2165.1-176.70000106.2S257S257-V259 PolarHBondContact O-N 2.75Å
260K37.4Very low50.9Low191 Ų191119.9 Ų119.983%0.8367%0.665SS**PPolyproline II helixtrans-50.9131.9167.2-97.3175171177.70108.2
261P41.9Very low48.7Very low112 Ų112120 Ų12073%0.72767%0.667SS**PPolyproline II helixtrans-60.1144.316525.5-30.4000109
262P45.5Very low46.8Very low115 Ų115119 Ų11975%0.74767%0.67SS**PPolyproline II helixtrans-61.9147.1176.426-32.7000110.2
263P43.2Very low44.7Very low118 Ų118124.6 Ų124.677%0.76669%0.692SS**PPolyproline II helixtrans-62.4147.7174.426.8-32.2000110.3
264P43.7Very low42.8Very low110 Ų110130.5 Ų130.571%0.71472%0.719SS**PPolyproline II helixtrans-59.7151.7172.825.7-32.1000110.2L266P264-L266 PolarHBondContact O-N 2.81Å; P264-L266 VanDerWaalsContact O-N 3.1Å
265P38.4Very low41.3Very low121 Ų121132.1 Ų132.179%0.78672%0.721SS**PPolyproline II helixtrans-59.5120.6-178.723.5-30.6000109.1L267P265-L267 PolarHBondContact O-N 2.79Å
266L34.3Very low40.8Very low158 Ų158130.2 Ų130.283%0.82771%0.71SS**  trans-59107.1164.1-70.7170.1000106.3P264 H268P264-L266 PolarHBondContact O-N 2.81Å; P264-L266 VanDerWaalsContact O-N 3.1Å; L266-H268 PolarHBondContact O-N 2.66Å
267L33.2Very low40.4Very low167 Ų167129.6 Ų129.687%0.87470%0.695SS**  trans-56.8113.9162.9-77166.3000106.1P265 L269P265-L267 PolarHBondContact O-N 2.79Å; L267-L269 VanDerWaalsContact C-N 3.28Å; L267-L269 PolarHBondContact O-N 3.24Å
268H35.5Very low40.4Very low186 Ų186130 Ų13086%0.86169%0.694SS**  trans-5396.5169.8-75.9-79.4000108.1L266 R270L266-H268 PolarHBondContact O-N 2.66Å; H268-R270 VanDerWaalsContact C-N 3.3Å; H268-R270 PolarHBondContact O-N 3.43Å
269L30.5Very low40.6Very low167 Ų167127.3 Ų127.387%0.87468%0.675SS**  trans-61.8107.6153.5-152.375.5000103.8L267 S271L267-L269 VanDerWaalsContact C-N 3.28Å; L267-L269 PolarHBondContact O-N 3.24Å; L269-S271 VanDerWaalsContact C-N 3.34Å; L269-S271 PolarHBondContact O-N 3.2Å
270R29.4Very low40.9Very low241 Ų241122.7 Ų122.791%0.90965%0.648SS**  trans-52.2102179.2-159.6174.2-165.9-178.52.1106.6H268H268-R270 VanDerWaalsContact C-N 3.3Å; H268-R270 PolarHBondContact O-N 3.43Å
271S30.8Very low41.6Very low57 Ų57115.9 Ų115.940%0.39962%0.624SS.*  trans-64.3143.8177.148.30000107.7L269 Q273L269-S271 VanDerWaalsContact C-N 3.34Å; L269-S271 PolarHBondContact O-N 3.2Å; S271-Q273 PolarHBondContact O-N 2.03Å
272P36.9Very low42.5Very low84 Ų84116.9 Ų116.955%0.54562%0.624SS.*  trans-71.584161.431.2-29.9000106.7Q274 H275P272-Q274 PolarHBondContact O-N 2.52Å; P272-H275 PolarHBondContact O-N 2.97Å
273Q38.7Very low43.5Very low153 Ų153113.8 Ų113.872%0.71560%0.601SS**THydrogen-bonded Turntrans-57.3-9179.1-98.7176.6-3000113.6S271S271-Q273 PolarHBondContact O-N 2.03Å
274Q40.6Very low44.9Very low161 Ų161109 Ų10975%0.75257%0.57SS**THydrogen-bonded Turntrans-86.8-13.7179.3-66.3-174.6-18.300114.2P272P272-Q274 PolarHBondContact O-N 2.52Å
275H45.4Very low46Very low88 Ų88104.9 Ų104.941%0.40755%0.548SS..SBendtrans-100.1-8-174.5-59.5-47.2000114.6Y109 P272Y109-H275 AromaticContact CE1-CE1 3.4Å; Y109-H275 WeakPolarHBondContact CE1-CE1 3.14Å; Y109-H275 AromaticContact CE1-CG 3.78Å; Y109-H275 AromaticContact CE1-ND1 3.28Å; Y109-H275 VanDerWaalsContact CE1-ND1 3.28Å; Y109-H275 WeakPolarHBondContact CE1-ND1 3.39Å; Y109-H275 AromaticContact CE1-NE2 3.92Å; Y109-H275 AromaticContact CZ-CE1 3.59Å; Y109-H275 AromaticContact CZ-ND1 3.35Å; Y109-H275 PolarHBondContact OH-CE1 3.04Å; Y109-H275 PolarHBondContact OH-ND1 2.75Å; P272-H275 PolarHBondContact O-N 2.97Å
276H47.7Very low47.3Very low106 Ų106104 Ų10449%0.49154%0.542SS..Hα-helixtrans-75.5-29.3174.6-83.7-86000112.8
277D50.1Low48.8Very low69 Ų69102.2 Ų102.237%0.36953%0.533SS..Hα-helixtrans-80.1-27.1-168.6-71.4-31.3000113.3S281 R300D277-S281 WeakPolarHBondContact O-CB 3.45Å; D277-S281 PolarHBondContact O-N 2.8Å; D277-S281 VanDerWaalsContact O-N 3.12Å; D277-S281 PolarHBondContact O-OG 2.98Å; D277-R300 IonicContact OD1-CZ 3.44Å; D277-R300 IonicContact OD1-NH1 3.69Å; D277-R300 PolarHBondContact OD1-NH1 2.91Å; D277-R300 IonicContact OD2-NH1 3.81Å
278V49.7Very low50.7Low84 Ų8496.2 Ų96.251%0.50950%0.5SS..Hα-helixtrans-72.3-45.1-174.4-1770000112.1D282V278-D282 PolarHBondContact O-N 3.42Å
279L53.8Low52.6Low64 Ų6492.6 Ų92.634%0.33548%0.483SS..Hα-helixtrans-80.3-31.6-174.8-155.884.4000113.2Y69 A72Y69-L279 HydrophobicContact CD2-CD1 4.24Å; Y69-L279 HydrophobicContact CD2-CD2 3.45Å; Y69-L279 VanDerWaalsContact CD2-CD2 3.45Å; Y69-L279 HydrophobicContact CD2-CG 4.49Å; Y69-L279 HydrophobicContact CE2-CD1 4.47Å; Y69-L279 HydrophobicContact CE2-CD2 4.29Å; Y69-L279 HydrophobicContact CG-CD2 4.18Å; A72-L279 HydrophobicContact CB-CD2 3.92Å
280S51.8Low54.8Low24 Ų2485.2 Ų85.217%0.16845%0.445CS..Hα-helixtrans-70.7-35.3172.6-164.90000110.9L283 C284 L290S280-L283 PolarHBondContact O-N 2.97Å; S280-C284 WeakPolarHBondContact O-CB 3.49Å; S280-C284 PolarHBondContact O-N 2.81Å; S280-L290 PolarHBondContact OG-N 3.24Å
281S53.3Low57.1Low48 Ų4876.5 Ų76.534%0.33642%0.416SS..Hα-helixtrans-67.1-35.3175.2-63.50000113D277 L283 G285D277-S281 WeakPolarHBondContact O-CB 3.45Å; D277-S281 PolarHBondContact O-N 2.8Å; D277-S281 VanDerWaalsContact O-N 3.12Å; D277-S281 PolarHBondContact O-OG 2.98Å; S281-L283 VanDerWaalsContact C-N 3.29Å; S281-L283 PolarHBondContact O-N 3.02Å; S281-G285 WeakPolarHBondContact O-CA 3.3Å; S281-G285 PolarHBondContact O-N 2.87Å
282D59.9Low59.1Low134 Ų13477.7 Ų77.772%0.71742%0.421SS*.Hα-helixtrans-68.5-25.7176.4-80.8-17.6000113.4V278V278-D282 PolarHBondContact O-N 3.42Å
283L66.4Low60.8Low50 Ų5082.2 Ų82.226%0.26244%0.435SS..Hα-helixtrans-94.8-39.9-180-71.1175000113.6A72 R76 S280 S281 L290A72-L283 HydrophobicContact CB-CD1 3.52Å; A72-L283 WeakPolarHBondContact O-CD1 3.49Å; R76-L283 HydrophobicContact CB-CD2 3.92Å; R76-L283 HydrophobicContact CG-CD2 4Å; S280-L283 PolarHBondContact O-N 2.97Å; S281-L283 VanDerWaalsContact C-N 3.29Å; S281-L283 PolarHBondContact O-N 3.02Å; L283-L290 HydrophobicContact CD1-CD2 4.3Å
284C72Confident62.5Low17 Ų1777.5 Ų77.512%0.11542%0.419CS..Hα-helixtrans-110.8-10.5-172.7-74.70000114.3S280 K288 C297S280-C284 WeakPolarHBondContact O-CB 3.49Å; S280-C284 PolarHBondContact O-N 2.81Å; C284-K288 HydrophobicContact CB-CB 3.78Å; C284-K288 WeakPolarHBondContact O-CD 3.25Å; C284-C297 WeakPolarHBondContact CA-SG 3Å; C284-C297 HydrophobicContact CB-CB 3.5Å; C284-C297 WeakPolarHBondContact CB-SG 3.42Å; C284-C297 VanDerWaalsContact SG-CA 3.5Å; C284-C297 WeakPolarHBondContact SG-CB 3.34Å; C284-C297 CovalentContact SG-SG 2.03Å; C284-C297 PolarHBondContact SG-SG 3.27Å
285G68.4Low64.5Low24 Ų2470.4 Ų70.425%0.24739%0.387CS..  trans83.6173.2-171.200000112.8S281S281-G285 WeakPolarHBondContact O-CA 3.3Å; S281-G285 PolarHBondContact O-N 2.87Å
286P64.7Low66Low103 Ų10371 Ų7167%0.66939%0.39SS*.THydrogen-bonded Turntrans-61.5150.6177.426.9-34.1000111.7K288P286-K288 PolarHBondContact O-N 3.04Å
287D66.9Low67.6Low120 Ų12068.2 Ų68.264%0.64238%0.382SS*.THydrogen-bonded Turntrans64.710.9177.5-53.1-44000116.4R300 C319D287-R300 PolarHBondContact O-N 3.18Å; D287-R300 VanDerWaalsContact O-N 3.15Å; D287-C319 HydrophobicContact CB-CB 4.36Å
288K72.7Confident69Low40 Ų4067.8 Ų67.817%0.17438%0.381CS..EExtended strand (participates in β ladder)trans-120.5135.4176.4-66.3-174.7-165.4-172.10112.1C284 P286 C297 V298 R316 N317 C319C284-K288 HydrophobicContact CB-CB 3.78Å; C284-K288 WeakPolarHBondContact O-CD 3.25Å; P286-K288 PolarHBondContact O-N 3.04Å; K288-C297 HydrophobicContact CB-CB 4.32Å; K288-C297 HydrophobicContact CD-CB 4.1Å; K288-V298 CarbonylContact C-O 3.38Å; K288-V298 VanDerWaalsContact CA-O 3.25Å; K288-V298 WeakPolarHBondContact CA-O 3.49Å; K288-R316 WeakPolarHBondContact CE-O 3.29Å; K288-R316 PolarHBondContact NZ-O 3.43Å; K288-N317 VanDerWaalsContact CE-O 3.27Å; K288-N317 WeakPolarHBondContact CE-O 3.46Å; K288-N317 PolarHBondContact NZ-O 2.66Å; K288-C319 WeakPolarHBondContact CE-SG 3.32Å; K288-C319 WeakPolarHBondContact CG-SG 3.25Å
289E73.9Confident70.5Confident110 Ų11064.6 Ų64.651%0.51436%0.363SS..EExtended strand (participates in β ladder)trans-102.6138.8171.8-169.2169-174.700109.5D291 V298E289-D291 PolarHBondContact O-N 3.1Å; E289-V298 HydrophobicContact CB-CG2 4.49Å; E289-V298 PolarHBondContact N-O 3.45Å; E289-V298 WeakPolarHBondContact O-CG2 3.45Å; E289-V298 PolarHBondContact O-N 2.91Å
290L77.6Confident71.3Confident13 Ų1367.3 Ų67.37%0.06837%0.368CS..EExtended strand (participates in β ladder)trans-78.4114.3173.8177.368.1000109.3A72 C75 S280 L283 V292A72-L290 HydrophobicContact CB-CD2 4.19Å; C75-L290 HydrophobicContact CB-CD1 4.07Å; C75-L290 HydrophobicContact CB-CD2 3.77Å; C75-L290 HydrophobicContact CB-CG 4.43Å; S280-L290 PolarHBondContact OG-N 3.24Å; L283-L290 HydrophobicContact CD1-CD2 4.3Å; L290-V292 PolarHBondContact O-N 3.42Å
291D77.3Confident71.9Confident57 Ų5770.3 Ų70.331%0.30538%0.382SS..EExtended strand (participates in β ladder)trans-69.1112.7166.4179.357.9000109.5E289 E293 S294 C295 Q296 V298E289-D291 PolarHBondContact O-N 3.1Å; D291-E293 VanDerWaalsContact C-N 3.28Å; D291-E293 PolarHBondContact O-N 3.08Å; D291-S294 WeakPolarHBondContact OD2-CA 3.39Å; D291-S294 WeakPolarHBondContact OD2-CB 2.98Å; D291-S294 PolarHBondContact OD2-N 3.27Å; D291-S294 PolarHBondContact OD2-OG 2.87Å; D291-C295 WeakPolarHBondContact O-CA 3.41Å; D291-C295 PolarHBondContact O-N 3.38Å; D291-Q296 WeakPolarHBondContact CB-O 3.48Å; D291-Q296 PolarHBondContact N-O 2.91Å; D291-V298 HydrophobicContact CB-CG1 4.28Å; D291-V298 HydrophobicContact CB-CG2 4.29Å
292V72.3Confident72Confident83 Ų8375.4 Ų75.450%0.50340%0.401SS..THydrogen-bonded Turntrans-67.6-28.8-172.4173.80000112.3A71 L290A71-V292 HydrophobicContact CB-CB 4.34Å; A71-V292 HydrophobicContact CB-CG1 3.49Å; A71-V292 VanDerWaalsContact CB-CG1 3.49Å; A71-V292 HydrophobicContact CB-CG2 3.92Å; L290-V292 PolarHBondContact O-N 3.42Å
293E73.9Confident71.6Confident179 Ų17973.2 Ų73.284%0.83639%0.389SS*.THydrogen-bonded Turntrans-79.8-47-176.9-62.8-173.1174.500112D291D291-E293 VanDerWaalsContact C-N 3.28Å; D291-E293 PolarHBondContact O-N 3.08Å
294S73.6Confident70.7Confident54 Ų5476.9 Ų76.938%0.37842%0.416SS..THydrogen-bonded Turntrans-91.5-10.1179.972.20000114.1D291 Q296D291-S294 WeakPolarHBondContact OD2-CA 3.39Å; D291-S294 WeakPolarHBondContact OD2-CB 2.98Å; D291-S294 PolarHBondContact OD2-N 3.27Å; D291-S294 PolarHBondContact OD2-OG 2.87Å; S294-Q296 PolarHBondContact O-N 2.87Å; S294-Q296 WeakPolarHBondContact OG-CB 3.38Å; S294-Q296 WeakPolarHBondContact OG-CG 3.12Å; S294-Q296 PolarHBondContact OG-N 3.48Å
295C82.1Confident69.6Low12 Ų1282 Ų828%0.08145%0.446CS..THydrogen-bonded Turntrans52.336.8-170-66.60000113C75 K78 D291C75-C295 WeakPolarHBondContact CA-SG 3.43Å; C75-C295 HydrophobicContact CB-CB 3.57Å; C75-C295 WeakPolarHBondContact CB-SG 3.39Å; C75-C295 WeakPolarHBondContact SG-CA 3.46Å; C75-C295 WeakPolarHBondContact SG-CB 3.32Å; C75-C295 CovalentContact SG-SG 2.05Å; C75-C295 PolarHBondContact SG-SG 2.9Å; K78-C295 HydrophobicContact CD-CB 4.46Å; D291-C295 WeakPolarHBondContact O-CA 3.41Å; D291-C295 PolarHBondContact O-N 3.38Å
296Q78.2Confident68.9Low101 Ų10189.8 Ų89.847%0.47247%0.469SS..EExtended strand (participates in β ladder)trans-107.1140.5176.3-62.9-178.514.300110.2D291 S294 V298D291-Q296 WeakPolarHBondContact CB-O 3.48Å; D291-Q296 PolarHBondContact N-O 2.91Å; S294-Q296 PolarHBondContact O-N 2.87Å; S294-Q296 WeakPolarHBondContact OG-CB 3.38Å; S294-Q296 WeakPolarHBondContact OG-CG 3.12Å; S294-Q296 PolarHBondContact OG-N 3.48Å; Q296-V298 PolarHBondContact O-N 2.04Å
297C80.8Confident68.7Low47 Ų4792 Ų9232%0.31848%0.475SS..EExtended strand (participates in β ladder)trans-78.6110.1171-58.30000109C284 K288C284-C297 WeakPolarHBondContact CA-SG 3Å; C284-C297 HydrophobicContact CB-CB 3.5Å; C284-C297 WeakPolarHBondContact CB-SG 3.42Å; C284-C297 VanDerWaalsContact SG-CA 3.5Å; C284-C297 WeakPolarHBondContact SG-CB 3.34Å; C284-C297 CovalentContact SG-SG 2.03Å; C284-C297 PolarHBondContact SG-SG 3.27Å; K288-C297 HydrophobicContact CB-CB 4.32Å; K288-C297 HydrophobicContact CD-CB 4.1Å
298V80.4Confident68.7Low59 Ų5987.4 Ų87.436%0.35845%0.452SS..EExtended strand (participates in β ladder)trans-104.2148.8177.6-640000109.6K288 E289 D291 Q296K288-V298 CarbonylContact C-O 3.38Å; K288-V298 VanDerWaalsContact CA-O 3.25Å; K288-V298 WeakPolarHBondContact CA-O 3.49Å; E289-V298 HydrophobicContact CB-CG2 4.49Å; E289-V298 PolarHBondContact N-O 3.45Å; E289-V298 WeakPolarHBondContact O-CG2 3.45Å; E289-V298 PolarHBondContact O-N 2.91Å; D291-V298 HydrophobicContact CB-CG1 4.28Å; D291-V298 HydrophobicContact CB-CG2 4.29Å; Q296-V298 PolarHBondContact O-N 2.04Å
299C79.6Confident68.6Low18 Ų1887.3 Ų87.312%0.12246%0.462CS..EExtended strand (participates in β ladder)trans-68.8139176.1-60.10000110L301 L314 C319C299-L301 HydrophobicContact CB-CD1 4.09Å; C299-L301 WeakPolarHBondContact O-CD1 3.23Å; C299-L301 PolarHBondContact O-N 2.82Å; C299-L314 HydrophobicContact CB-CD2 3.93Å; C299-C319 WeakPolarHBondContact CA-SG 3.42Å; C299-C319 HydrophobicContact CB-CB 3.58Å; C299-C319 WeakPolarHBondContact CB-SG 3.49Å; C299-C319 WeakPolarHBondContact SG-CA 3.06Å; C299-C319 WeakPolarHBondContact SG-CB 3.15Å; C299-C319 CovalentContact SG-SG 2.03Å; C299-C319 PolarHBondContact SG-SG 2.88Å
300R70.9Confident68.4Low120 Ų12088.3 Ų88.345%0.45348%0.478SS..  trans-72.193.1177.2-172.9175.1173.6164.3-3.7109.5D277 D287 E302D277-R300 IonicContact OD1-CZ 3.44Å; D277-R300 IonicContact OD1-NH1 3.69Å; D277-R300 PolarHBondContact OD1-NH1 2.91Å; D277-R300 IonicContact OD2-NH1 3.81Å; D287-R300 PolarHBondContact O-N 3.18Å; D287-R300 VanDerWaalsContact O-N 3.15Å; R300-E302 IonicContact NH2-OE1 3.05Å; R300-E302 PolarHBondContact O-N 3.29Å
301L64.8Low68Low88 Ų8893.8 Ų93.846%0.46150%0.501SS..  trans-8896.9169.9-79.389.5000108.7C299 N303 L314C299-L301 HydrophobicContact CB-CD1 4.09Å; C299-L301 WeakPolarHBondContact O-CD1 3.23Å; C299-L301 PolarHBondContact O-N 2.82Å; L301-N303 PolarHBondContact O-N 2.03Å; L301-L314 HydrophobicContact CD1-CD2 3.82Å
302E55.3Low67.9Low154 Ų15495.1 Ų95.172%0.7250%0.502SS*.SBendtrans-60.7-0.9173.1-94.3179.4167.900114.3R300R300-E302 IonicContact NH2-OE1 3.05Å; R300-E302 PolarHBondContact O-N 3.29Å
303N52.8Low68Low88 Ų8895.4 Ų95.447%0.47150%0.498SS..  trans-147.8123174-91.8-64.4000112.3L301 T305 R306L301-N303 PolarHBondContact O-N 2.03Å; N303-T305 PolarHBondContact O-N 2.84Å; N303-T305 VanDerWaalsContact O-N 3.08Å; N303-R306 PolarHBondContact O-N 2.84Å
304P46.8Very low68.1Low128 Ų12889.5 Ų89.583%0.83147%0.472SS*.THydrogen-bonded Turntrans-64.5-9.8176.6-18.329.6000115
305T49.2Very low68Low123 Ų12389 Ų8976%0.75547%0.465SS*.THydrogen-bonded Turntrans-100.46.1-17551.40000114.1N303N303-T305 PolarHBondContact O-N 2.84Å; N303-T305 VanDerWaalsContact O-N 3.08Å
306R52.3Low67.4Low189 Ų18996.9 Ų96.971%0.71349%0.493SS*.  trans-107.466.4174.6-77-175.6150.2176.6-4.3110.7N303 C308N303-R306 PolarHBondContact O-N 2.84Å; R306-C308 PolarHBondContact O-N 2.67Å
307D62.3Low66.9Low149 Ų14998.3 Ų98.380%0.79750%0.504SS*.  trans-50.4124.1144.7-80.3-34.5000106.1G309D307-G309 PolarHBondContact O-N 3.44Å
308C66.4Low66.4Low23 Ų2399.1 Ų99.116%0.15551%0.507CS..  trans-43.2117.9173.1-70.70000107R306 R312 L314 C321R306-C308 PolarHBondContact O-N 2.67Å; C308-R312 HydrophobicContact CB-CB 3.76Å; C308-R312 WeakPolarHBondContact CB-O 3.45Å; C308-L314 VanDerWaalsContact SG-CA 3.6Å; C308-L314 PolarHBondContact SG-N 2.02Å; C308-C321 VanDerWaalsContact CA-SG 3.55Å; C308-C321 HydrophobicContact CB-CB 3.68Å; C308-C321 WeakPolarHBondContact CB-SG 3.16Å; C308-C321 VanDerWaalsContact SG-CA 3.53Å; C308-C321 WeakPolarHBondContact SG-CB 3.13Å; C308-C321 CovalentContact SG-SG 2.04Å; C308-C321 PolarHBondContact SG-SG 3.43Å
309G70.8Confident66.1Low38 Ų3897.5 Ų97.539%0.39250%0.498SS..THydrogen-bonded Turntrans-51.8172.4-165.500000113.9D307 K311 R312D307-G309 PolarHBondContact O-N 3.44Å; G309-K311 PolarHBondContact O-N 3.45Å; G309-R312 WeakPolarHBondContact O-CB 3.06Å; G309-R312 PolarHBondContact O-N 2.88Å
310P69.3Low66Low132 Ų132102.8 Ų102.886%0.85752%0.521SS*.THydrogen-bonded Turntrans-49.4128.3-168.420.4-33000113.1
311K68.9Low66.3Low127 Ų12799.9 Ų99.955%0.55252%0.519SS*.THydrogen-bonded Turntrans7421.6-175.6-48.9-178.3179.4-175.30116.4G309 D324G309-K311 PolarHBondContact O-N 3.45Å; K311-D324 WeakPolarHBondContact CA-OD2 3.05Å; K311-D324 PolarHBondContact O-N 3.15Å
312R74.9Confident66.8Low86 Ų8698 Ų9833%0.32551%0.511SS..EExtended strand (participates in β ladder)trans-124.7146.1171.7-62.3177177.7-162.92.3109.8C308 G309 C321 V322 K339 E340 C342C308-R312 HydrophobicContact CB-CB 3.76Å; C308-R312 WeakPolarHBondContact CB-O 3.45Å; G309-R312 WeakPolarHBondContact O-CB 3.06Å; G309-R312 PolarHBondContact O-N 2.88Å; R312-C321 HydrophobicContact CB-CB 4.42Å; R312-V322 CarbonylContact C-O 3.54Å; R312-V322 WeakPolarHBondContact CA-O 3.1Å; R312-V322 WeakPolarHBondContact CB-O 3.44Å; R312-K339 PolarHBondContact NH2-O 2.86Å; R312-E340 PolarHBondContact NH2-O 3.1Å; R312-C342 VanDerWaalsContact CG-SG 3.52Å
313H74.9Confident67.8Low89 Ų8991.8 Ų91.841%0.41248%0.484SS..EExtended strand (participates in β ladder)trans-120.8155167.965.2-86.7000110.1D315 C321 V322 D324H313-D315 PolarHBondContact O-N 3.19Å; H313-C321 CarbonylContact O-C 3.46Å; H313-C321 WeakPolarHBondContact O-CA 2.99Å; H313-V322 VanDerWaalsContact CE1-CG2 3.42Å; H313-V322 WeakPolarHBondContact CE1-CG2 3.36Å; H313-V322 PolarHBondContact N-O 2.82Å; H313-V322 WeakPolarHBondContact NE2-CG2 3.38Å; H313-V322 PolarHBondContact O-N 3.32Å; H313-D324 IonicContact CE1-OD1 2.68Å; H313-D324 IonicContact CG-OD1 2.87Å; H313-D324 IonicContact ND1-OD1 2.81Å; H313-D324 PolarHBondContact ND1-OD1 2.9Å
314L76.9Confident68.8Low54 Ų5491.9 Ų91.928%0.28349%0.485SS..EExtended strand (participates in β ladder)trans-78.1118.2173.5-174.167.9000109.1C299 L301 C308 R316C299-L314 HydrophobicContact CB-CD2 3.93Å; L301-L314 HydrophobicContact CD1-CD2 3.82Å; C308-L314 VanDerWaalsContact SG-CA 3.6Å; C308-L314 PolarHBondContact SG-N 2.02Å; L314-R316 PolarHBondContact O-N 3.1Å
315D69.9Low69.7Low44 Ų4491 Ų9124%0.23547%0.471CS..  trans-71.4112.4168.1177.64.3000108.9H313 N317 T318 C319 Q320 V322H313-D315 PolarHBondContact O-N 3.19Å; D315-N317 PolarHBondContact O-N 2.05Å; D315-N317 WeakPolarHBondContact OD1-CB 3.49Å; D315-N317 PolarHBondContact OD1-N 3.32Å; D315-T318 WeakPolarHBondContact CB-OG1 3.04Å; D315-T318 PolarHBondContact O-N 3.01Å; D315-T318 WeakPolarHBondContact OD2-CB 3.13Å; D315-T318 VanDerWaalsContact OD2-CG2 3.3Å; D315-T318 WeakPolarHBondContact OD2-CG2 3.47Å; D315-T318 PolarHBondContact OD2-OG1 2.93Å; D315-C319 VanDerWaalsContact O-CA 3.25Å; D315-C319 WeakPolarHBondContact O-CA 3.43Å; D315-C319 PolarHBondContact O-N 3.39Å; D315-Q320 WeakPolarHBondContact CB-O 3.03Å; D315-Q320 PolarHBondContact N-O 2.94Å; D315-V322 HydrophobicContact CB-CG1 4.03Å; D315-V322 HydrophobicContact CB-CG2 4Å
316R70.3Confident70Confident178 Ų17892.7 Ų92.767%0.67247%0.474SS*.THydrogen-bonded Turntrans-65.9-18.2-178.2-58179.588.6-171.34.4112.8K288 L314K288-R316 WeakPolarHBondContact CE-O 3.29Å; K288-R316 PolarHBondContact NZ-O 3.43Å; L314-R316 PolarHBondContact O-N 3.1Å
317N67.5Low70.1Confident130 Ų13089.8 Ų89.870%0.69548%0.48SS*.THydrogen-bonded Turntrans-86.5-40.6-179.8-69.3-16.3000112.2K288 D315K288-N317 VanDerWaalsContact CE-O 3.27Å; K288-N317 WeakPolarHBondContact CE-O 3.46Å; K288-N317 PolarHBondContact NZ-O 2.66Å; D315-N317 PolarHBondContact O-N 2.05Å; D315-N317 WeakPolarHBondContact OD1-CB 3.49Å; D315-N317 PolarHBondContact OD1-N 3.32Å
318T70.1Confident69.1Low64 Ų6487.1 Ų87.139%0.39348%0.478SS..THydrogen-bonded Turntrans-102.3-10.7-177.459.70000113.9D315 Q320D315-T318 WeakPolarHBondContact CB-OG1 3.04Å; D315-T318 PolarHBondContact O-N 3.01Å; D315-T318 WeakPolarHBondContact OD2-CB 3.13Å; D315-T318 VanDerWaalsContact OD2-CG2 3.3Å; D315-T318 WeakPolarHBondContact OD2-CG2 3.47Å; D315-T318 PolarHBondContact OD2-OG1 2.93Å; T318-Q320 PolarHBondContact O-N 3.24Å
319C75.4Confident68.7Low26 Ų2691.5 Ų91.518%0.17651%0.507CS..  trans56.627.2-172.6-65.10000114.5D287 K288 C299 D315D287-C319 HydrophobicContact CB-CB 4.36Å; K288-C319 WeakPolarHBondContact CE-SG 3.32Å; K288-C319 WeakPolarHBondContact CG-SG 3.25Å; C299-C319 WeakPolarHBondContact CA-SG 3.42Å; C299-C319 HydrophobicContact CB-CB 3.58Å; C299-C319 WeakPolarHBondContact CB-SG 3.49Å; C299-C319 WeakPolarHBondContact SG-CA 3.06Å; C299-C319 WeakPolarHBondContact SG-CB 3.15Å; C299-C319 CovalentContact SG-SG 2.03Å; C299-C319 PolarHBondContact SG-SG 2.88Å; D315-C319 VanDerWaalsContact O-CA 3.25Å; D315-C319 WeakPolarHBondContact O-CA 3.43Å; D315-C319 PolarHBondContact O-N 3.39Å
320Q76.1Confident68.5Low129 Ų12994.6 Ų94.660%0.60352%0.522SS*.  trans-108.9143.3176.7-64.7178.7800110.3D315 T318 V322D315-Q320 WeakPolarHBondContact CB-O 3.03Å; D315-Q320 PolarHBondContact N-O 2.94Å; T318-Q320 PolarHBondContact O-N 3.24Å; Q320-V322 PolarHBondContact O-N 2.77Å
321C77.3Confident68.4Low59 Ų5989.3 Ų89.340%0.39949%0.488SS..EExtended strand (participates in β ladder)trans-73.8112170.1-67.20000109.7C308 R312 H313C308-C321 VanDerWaalsContact CA-SG 3.55Å; C308-C321 HydrophobicContact CB-CB 3.68Å; C308-C321 WeakPolarHBondContact CB-SG 3.16Å; C308-C321 VanDerWaalsContact SG-CA 3.53Å; C308-C321 WeakPolarHBondContact SG-CB 3.13Å; C308-C321 CovalentContact SG-SG 2.04Å; C308-C321 PolarHBondContact SG-SG 3.43Å; R312-C321 HydrophobicContact CB-CB 4.42Å; H313-C321 CarbonylContact O-C 3.46Å; H313-C321 WeakPolarHBondContact O-CA 2.99Å
322V75.1Confident68.4Low49 Ų4987.2 Ų87.230%0.29749%0.487SS..EExtended strand (participates in β ladder)trans-105.6153.4177.4-61.40000110.3R312 H313 D315 Q320R312-V322 CarbonylContact C-O 3.54Å; R312-V322 WeakPolarHBondContact CA-O 3.1Å; R312-V322 WeakPolarHBondContact CB-O 3.44Å; H313-V322 VanDerWaalsContact CE1-CG2 3.42Å; H313-V322 WeakPolarHBondContact CE1-CG2 3.36Å; H313-V322 PolarHBondContact N-O 2.82Å; H313-V322 WeakPolarHBondContact NE2-CG2 3.38Å; H313-V322 PolarHBondContact O-N 3.32Å; D315-V322 HydrophobicContact CB-CG1 4.03Å; D315-V322 HydrophobicContact CB-CG2 4Å; Q320-V322 PolarHBondContact O-N 2.77Å
323C77.9Confident68.1Low22 Ų2291.3 Ų91.315%0.14951%0.51CS..EExtended strand (participates in β ladder)trans-73143.9179.2-59.10000111.4M325 F337 C342C323-M325 VanDerWaalsContact C-N 3.28Å; C323-M325 HydrophobicContact CB-CG 4.36Å; C323-M325 PolarHBondContact O-N 3.44Å; C323-F337 HydrophobicContact CB-CZ 3.9Å; C323-C342 HydrophobicContact CB-CB 3.61Å; C323-C342 WeakPolarHBondContact CB-SG 3.01Å; C323-C342 VanDerWaalsContact SG-CA 3.57Å; C323-C342 WeakPolarHBondContact SG-CB 3.25Å; C323-C342 CovalentContact SG-SG 2.03Å; C323-C342 PolarHBondContact SG-SG 2.85Å
324D72.3Confident67.8Low91 Ų9191.3 Ų91.349%0.48751%0.513SS..  trans-68.882.4171.9-62.5-38.3000110.3K311 H313 L326K311-D324 WeakPolarHBondContact CA-OD2 3.05Å; K311-D324 PolarHBondContact O-N 3.15Å; H313-D324 IonicContact CE1-OD1 2.68Å; H313-D324 IonicContact CG-OD1 2.87Å; H313-D324 IonicContact ND1-OD1 2.81Å; H313-D324 PolarHBondContact ND1-OD1 2.9Å; D324-L326 PolarHBondContact O-N 3.29Å
325M65.2Low67.7Low110 Ų11090.7 Ų90.754%0.54251%0.509SS..  trans-86.2108.3176.1-65.8-69.5-80.800108.8C323 F337C323-M325 VanDerWaalsContact C-N 3.28Å; C323-M325 HydrophobicContact CB-CG 4.36Å; C323-M325 PolarHBondContact O-N 3.44Å; M325-F337 HydrophobicContact CE-CD2 4.22Å; M325-F337 HydrophobicContact CE-CE2 4.03Å; M325-F337 HydrophobicContact CE-CZ 4.45Å; M325-F337 HydrophobicContact SD-CD2 4.23Å; M325-F337 HydrophobicContact SD-CE2 3.47Å; M325-F337 WeakPolarHBondContact SD-CE2 3.49Å; M325-F337 HydrophobicContact SD-CZ 3.73Å
326L56.3Low67.9Low158 Ų15892.7 Ų92.783%0.82752%0.519SS*.  trans-53.4143.9163.6-71.5163.8000109.2D324 A328D324-L326 PolarHBondContact O-N 3.29Å; L326-A328 PolarHBondContact O-N 2.96Å
327P54.5Low68.1Low128 Ų12887.3 Ų87.383%0.83150%0.5SS*.SBendtrans-69.4101.3-165.126.5-33000112.3
328A41.9Very low68.3Low92 Ų9283.6 Ų83.676%0.7648%0.48SS*.SBendtrans62.8155.2158.500000120.4L326L326-A328 PolarHBondContact O-N 2.96Å
329P56.8Low68.2Low116 Ų11688.8 Ų88.875%0.75350%0.497SS*.  cis-94.9178.9-11.922.8-3.6000110.8
330S67Low67.8Low103 Ų10395.1 Ų95.172%0.7252%0.524SS*.SBendtrans-30.6148.316738.70000114.4
331C66.9Low67.5Low20 Ų2092.1 Ų92.114%0.13552%0.515CS..SBendtrans-29.9139.8178.6-67.80000114.2H335 F337 C344C331-H335 HydrophobicContact CB-CB 3.82Å; C331-H335 WeakPolarHBondContact CB-O 3.43Å; C331-F337 VanDerWaalsContact SG-CB 3.56Å; C331-C344 VanDerWaalsContact CA-SG 3.51Å; C331-C344 HydrophobicContact CB-CB 3.65Å; C331-C344 WeakPolarHBondContact CB-SG 3.45Å; C331-C344 WeakPolarHBondContact SG-CB 3.41Å; C331-C344 CovalentContact SG-SG 2.02Å; C331-C344 PolarHBondContact SG-SG 3Å
332P70.1Confident67.4Low83 Ų8390.1 Ų90.154%0.53950%0.502SS..SBendtrans-52.8154-177.318.5-29.6000112.7N334 H335P332-N334 PolarHBondContact O-N 3.37Å; P332-H335 VanDerWaalsContact O-CB 3.27Å; P332-H335 WeakPolarHBondContact O-CB 3.44Å; P332-H335 PolarHBondContact O-N 2.96Å; P332-H335 PolarHBondContact O-ND1 2.94Å
333Q68.6Low67.3Low172 Ų17292.6 Ų92.680%0.80451%0.51SS*.THydrogen-bonded Turntrans-40.3128.6-173.9-140.1101.4-10.100113H335Q333-H335 VanDerWaalsContact C-N 3.34Å; Q333-H335 PolarHBondContact O-N 3.22Å; Q333-H335 PolarHBondContact O-ND1 3.5Å
334N67.8Low67.3Low89 Ų8994.1 Ų94.148%0.47652%0.52SS..THydrogen-bonded Turntrans70.512.2-176.6-48.5-52000117.1P332 N347 K348 C361P332-N334 PolarHBondContact O-N 3.37Å; N334-N347 PolarHBondContact O-N 2.99Å; N334-K348 HydrophobicContact CB-CB 4.34Å; N334-C361 PolarHBondContact O-SG 3.32Å; N334-C361 VanDerWaalsContact O-SG 3.37Å
335H74.5Confident67.4Low41 Ų4193 Ų9319%0.1952%0.517CS..EExtended strand (participates in β ladder)trans-103.7137.2170.2-59.673.6000111C331 P332 Q333 C344 T345 C361C331-H335 HydrophobicContact CB-CB 3.82Å; C331-H335 WeakPolarHBondContact CB-O 3.43Å; P332-H335 VanDerWaalsContact O-CB 3.27Å; P332-H335 WeakPolarHBondContact O-CB 3.44Å; P332-H335 PolarHBondContact O-N 2.96Å; P332-H335 PolarHBondContact O-ND1 2.94Å; Q333-H335 VanDerWaalsContact C-N 3.34Å; Q333-H335 PolarHBondContact O-N 3.22Å; Q333-H335 PolarHBondContact O-ND1 3.5Å; H335-C344 HydrophobicContact CB-CB 3.97Å; H335-T345 CarbonylContact C-O 3.55Å; H335-T345 VanDerWaalsContact CA-O 3.25Å; H335-T345 WeakPolarHBondContact CA-O 3.11Å; H335-C361 WeakPolarHBondContact CE1-CB 3.26Å
336I73.8Confident68.2Low87 Ų8789.4 Ų89.445%0.44650%0.502SS..EExtended strand (participates in β ladder)trans-100.6135.3173.7-65.1-175.4000108.5N338 C344 T345 N347I336-N338 PolarHBondContact O-N 3.32Å; I336-C344 CarbonylContact O-C 3.53Å; I336-C344 WeakPolarHBondContact O-CA 3.27Å; I336-T345 PolarHBondContact N-O 3Å; I336-T345 PolarHBondContact O-N 3.5Å; I336-T345 PolarHBondContact O-OG1 3.33Å; I336-N347 HydrophobicContact CD1-CB 3.53Å; I336-N347 WeakPolarHBondContact CD1-ND2 3.25Å; I336-N347 HydrophobicContact CG1-CB 3.75Å
337F75.6Confident69.2Low65 Ų6586.9 Ų86.929%0.28549%0.49SS..EExtended strand (participates in β ladder)trans-75.8120.4174.4-174.8-107.6000110.6C323 M325 C331 K339 C342C323-F337 HydrophobicContact CB-CZ 3.9Å; M325-F337 HydrophobicContact CE-CD2 4.22Å; M325-F337 HydrophobicContact CE-CE2 4.03Å; M325-F337 HydrophobicContact CE-CZ 4.45Å; M325-F337 HydrophobicContact SD-CD2 4.23Å; M325-F337 HydrophobicContact SD-CE2 3.47Å; M325-F337 WeakPolarHBondContact SD-CE2 3.49Å; M325-F337 HydrophobicContact SD-CZ 3.73Å; C331-F337 VanDerWaalsContact SG-CB 3.56Å; F337-K339 HydrophobicContact CD1-CG 4.24Å; F337-K339 HydrophobicContact CE1-CG 4.39Å; F337-C342 HydrophobicContact CZ-CB 4.44Å
338N71.5Confident70.2Confident52 Ų5284.4 Ų84.428%0.27847%0.466SS..EExtended strand (participates in β ladder)trans-87.4114.7171.5-174.7-29.5000109.7I336 E340 T341 C342 Q343I336-N338 PolarHBondContact O-N 3.32Å; N338-E340 VanDerWaalsContact C-N 3.27Å; N338-E340 PolarHBondContact O-N 2.92Å; N338-E340 WeakPolarHBondContact OD1-CB 3.01Å; N338-E340 PolarHBondContact OD1-N 2.79Å; N338-T341 WeakPolarHBondContact CB-OG1 3.41Å; N338-T341 VanDerWaalsContact CG-OG1 3.31Å; N338-T341 PolarHBondContact OD1-N 2.73Å; N338-C342 WeakPolarHBondContact O-CA 3.46Å; N338-C342 PolarHBondContact O-N 2.03Å; N338-Q343 PolarHBondContact N-O 3.19Å
339K68.5Low71.9Confident172 Ų17286.1 Ų86.175%0.74847%0.467SS*.THydrogen-bonded Turntrans-66.5-24.7-179.1-63.7-177.4179.5-178.30113.5R312 F337R312-K339 PolarHBondContact NH2-O 2.86Å; F337-K339 HydrophobicContact CD1-CG 4.24Å; F337-K339 HydrophobicContact CE1-CG 4.39Å
340E67Low72.9Confident159 Ų15982 Ų8274%0.74344%0.44SS*.THydrogen-bonded Turntrans-84.7-36.7-179.1-64176.7-178.400112.1R312 N338R312-E340 PolarHBondContact NH2-O 3.1Å; N338-E340 VanDerWaalsContact C-N 3.27Å; N338-E340 PolarHBondContact O-N 2.92Å; N338-E340 WeakPolarHBondContact OD1-CB 3.01Å; N338-E340 PolarHBondContact OD1-N 2.79Å
341T68.4Low73.4Confident66 Ų6681 Ų8141%0.40543%0.432SS..THydrogen-bonded Turntrans-99-5.8-17959.10000113.7N338 Q343N338-T341 WeakPolarHBondContact CB-OG1 3.41Å; N338-T341 VanDerWaalsContact CG-OG1 3.31Å; N338-T341 PolarHBondContact OD1-N 2.73Å; T341-Q343 WeakPolarHBondContact O-CG 3.01Å; T341-Q343 PolarHBondContact O-N 2.03Å
342C74.8Confident73.5Confident18 Ų1891.8 Ų91.812%0.12247%0.469CS..THydrogen-bonded Turntrans51.939.3-173.1-600000112.2R312 C323 F337 N338R312-C342 VanDerWaalsContact CG-SG 3.52Å; C323-C342 HydrophobicContact CB-CB 3.61Å; C323-C342 WeakPolarHBondContact CB-SG 3.01Å; C323-C342 VanDerWaalsContact SG-CA 3.57Å; C323-C342 WeakPolarHBondContact SG-CB 3.25Å; C323-C342 CovalentContact SG-SG 2.03Å; C323-C342 PolarHBondContact SG-SG 2.85Å; F337-C342 HydrophobicContact CZ-CB 4.44Å; N338-C342 WeakPolarHBondContact O-CA 3.46Å; N338-C342 PolarHBondContact O-N 2.03Å
343Q74.2Confident73.6Confident100 Ų10093.3 Ų93.347%0.46747%0.469SS..EExtended strand (participates in β ladder)trans-134.3150.9-176.8-72175.525.900111.6N338 T341N338-Q343 PolarHBondContact N-O 3.19Å; T341-Q343 WeakPolarHBondContact O-CG 3.01Å; T341-Q343 PolarHBondContact O-N 2.03Å
344C76.9Confident74Confident55 Ų5588 Ų8837%0.37244%0.444SS..EExtended strand (participates in β ladder)trans-87.7119174.9-61.80000110.3C331 H335 I336C331-C344 VanDerWaalsContact CA-SG 3.51Å; C331-C344 HydrophobicContact CB-CB 3.65Å; C331-C344 WeakPolarHBondContact CB-SG 3.45Å; C331-C344 WeakPolarHBondContact SG-CB 3.41Å; C331-C344 CovalentContact SG-SG 2.02Å; C331-C344 PolarHBondContact SG-SG 3Å; H335-C344 HydrophobicContact CB-CB 3.97Å; I336-C344 CarbonylContact O-C 3.53Å; I336-C344 WeakPolarHBondContact O-CA 3.27Å
345T75.2Confident74.5Confident67 Ų6787.1 Ų87.141%0.41144%0.443SS..EExtended strand (participates in β ladder)trans-107.5135.8177.953.70000111H335 I336 N347H335-T345 CarbonylContact C-O 3.55Å; H335-T345 VanDerWaalsContact CA-O 3.25Å; H335-T345 WeakPolarHBondContact CA-O 3.11Å; I336-T345 PolarHBondContact N-O 3Å; I336-T345 PolarHBondContact O-N 3.5Å; I336-T345 PolarHBondContact O-OG1 3.33Å; T345-N347 PolarHBondContact O-N 2.84Å
346C81.4Confident74.8Confident34 Ų3488.1 Ų88.123%0.2345%0.45CS..EExtended strand (participates in β ladder)trans-67.5127.2178.2175.50000111.4C361C346-C361 VanDerWaalsContact CA-SG 3.59Å; C346-C361 HydrophobicContact CB-CB 3.66Å; C346-C361 WeakPolarHBondContact CB-SG 3.42Å; C346-C361 WeakPolarHBondContact SG-CA 3.47Å; C346-C361 WeakPolarHBondContact SG-CB 3.39Å; C346-C361 CovalentContact SG-SG 2.03Å; C346-C361 PolarHBondContact SG-SG 3.32Å
347N77.9Confident74.9Confident106 Ų10686.1 Ų86.157%0.56744%0.44SS*.  trans-111.324.1176.8-170.832.1000113.1N334 I336 T345N334-N347 PolarHBondContact O-N 2.99Å; I336-N347 HydrophobicContact CD1-CB 3.53Å; I336-N347 WeakPolarHBondContact CD1-ND2 3.25Å; I336-N347 HydrophobicContact CG1-CB 3.75Å; T345-N347 PolarHBondContact O-N 2.84Å
348K75.3Confident74.8Confident76 Ų7691.4 Ų91.433%0.3346%0.463SS..PPolyproline II helixtrans-82.2125.3-177.8-165.1175.5-172.2175.60110.8N334 L356 C361N334-K348 HydrophobicContact CB-CB 4.34Å; K348-L356 HydrophobicContact CB-CD1 3.92Å; K348-L356 HydrophobicContact CG-CD1 4.47Å; K348-L356 WeakPolarHBondContact O-CD2 3.03Å; K348-C361 WeakPolarHBondContact CD-O 3.02Å
349T76.9Confident74.7Confident127 Ų12794.7 Ų94.778%0.77949%0.485SS*.PPolyproline II helixtrans-93.4125.5171.6-53.40000109.1
350C77.8Confident74.8Confident29 Ų2993.3 Ų93.320%0.19648%0.479CS..PPolyproline II helixtrans-101.5151.5-179.3-63.20000112.1Q354 L356 C363C350-Q354 WeakPolarHBondContact CB-O 3.25Å; C350-L356 VanDerWaalsContact SG-CD1 3.51Å; C350-C363 WeakPolarHBondContact CA-SG 3.4Å; C350-C363 HydrophobicContact CB-CB 3.75Å; C350-C363 WeakPolarHBondContact CB-SG 3.14Å; C350-C363 WeakPolarHBondContact SG-CA 3.27Å; C350-C363 WeakPolarHBondContact SG-CB 3.35Å; C350-C363 CovalentContact SG-SG 2.03Å; C350-C363 PolarHBondContact SG-SG 3.31Å
351P77.4Confident75.4Confident84 Ų8486 Ų8655%0.54545%0.445SS..PPolyproline II helixtrans-57.6154.5173.4-21.932.3000112.2H353 Q354P351-H353 PolarHBondContact O-N 2.03Å; P351-Q354 PolarHBondContact O-N 3.16Å
352R70.3Confident75.9Confident245 Ų24584 Ų8493%0.92543%0.434SS*.THydrogen-bonded Turntrans-50.1-25.7-176.1-116.6-169.2177.9-170.10.1115.3
353H71.3Confident76.2Confident115 Ų11584 Ų8453%0.53244%0.435SS..THydrogen-bonded Turntrans-104.66-175.2-58.4-63.7000114.3P351 T383P351-H353 PolarHBondContact O-N 2.03Å; H353-T383 WeakPolarHBondContact CB-O 3.48Å
354Q77.4Confident76.5Confident60 Ų6082.8 Ų82.828%0.2843%0.429SS..SBendtrans-132.7105.2-178.6-164.5174.524.700110.4C350 P351 C363C350-Q354 WeakPolarHBondContact CB-O 3.25Å; P351-Q354 PolarHBondContact O-N 3.16Å; Q354-C363 HydrophobicContact CB-CB 4.24Å; Q354-C363 VanDerWaalsContact CD-C 3.41Å; Q354-C363 HydrophobicContact CG-CB 3.56Å; Q354-C363 PolarHBondContact NE2-O 2.87Å
355P77.8Confident76.6Confident71 Ų7182.2 Ų82.246%0.46143%0.425SS..  trans-65.7146.9178.724.2-32.2000112.4E364 N366P355-E364 WeakPolarHBondContact CD-O 3.48Å; P355-E364 VanDerWaalsContact CG-O 3.31Å; P355-E364 WeakPolarHBondContact CG-O 3.04Å; P355-E364 PolarHBondContact O-N 2.95Å; P355-N366 HydrophobicContact CG-CB 4.36Å
356L80.8Confident76.6Confident63 Ų6384.2 Ų84.233%0.3343%0.433SS..EExtended strand (participates in β ladder)trans-79.4122.8176.7178.869000110.8K348 C350 K358K348-L356 HydrophobicContact CB-CD1 3.92Å; K348-L356 HydrophobicContact CG-CD1 4.47Å; K348-L356 WeakPolarHBondContact O-CD2 3.03Å; C350-L356 VanDerWaalsContact SG-CD1 3.51Å; L356-K358 PolarHBondContact O-N 2.9Å
357N77.1Confident76.4Confident45 Ų4585.3 Ų85.324%0.24144%0.435CS..EExtended strand (participates in β ladder)trans-82.3109.9167.2-170-26.1000109.8T359 C361 S362 E364N357-T359 VanDerWaalsContact C-N 3.34Å; N357-T359 PolarHBondContact O-N 2.79Å; N357-T359 PolarHBondContact OD1-N 3.38Å; N357-T359 PolarHBondContact OD1-OG1 3.41Å; N357-C361 VanDerWaalsContact O-CA 3.25Å; N357-C361 WeakPolarHBondContact O-CA 3.01Å; N357-C361 PolarHBondContact O-N 3.05Å; N357-S362 WeakPolarHBondContact CB-O 3.39Å; N357-S362 PolarHBondContact N-O 3.39Å; N357-S362 PolarHBondContact O-N 3.48Å; N357-E364 PolarHBondContact ND2-OE2 2.77Å
358K72.4Confident76.4Confident175 Ų17582.8 Ų82.876%0.76143%0.425SS*.THydrogen-bonded Turntrans-67.3-26-173.3-65.8-177.2179.9-179.50114.6L356L356-K358 PolarHBondContact O-N 2.9Å
359T69.1Low76.5Confident121 Ų12182.9 Ų82.974%0.74243%0.434SS*.THydrogen-bonded Turntrans-86.7-32.9-176.756.20000112.8N357N357-T359 VanDerWaalsContact C-N 3.34Å; N357-T359 PolarHBondContact O-N 2.79Å; N357-T359 PolarHBondContact OD1-N 3.38Å; N357-T359 PolarHBondContact OD1-OG1 3.41Å
360K72.3Confident76.3Confident144 Ų14482.5 Ų82.563%0.62643%0.427SS*.THydrogen-bonded Turntrans-97.8-8.3176.8-66.5-178.5-178.21770113.4S362K360-S362 WeakPolarHBondContact CB-OG 3Å; K360-S362 PolarHBondContact O-N 3.43Å
361C79.4Confident76.2Confident4 Ų486.4 Ų86.43%0.02744%0.441CS..THydrogen-bonded Turntrans47.741.5-171.1-162.10000112.2N334 H335 C346 K348 N357N334-C361 PolarHBondContact O-SG 3.32Å; N334-C361 VanDerWaalsContact O-SG 3.37Å; H335-C361 WeakPolarHBondContact CE1-CB 3.26Å; C346-C361 VanDerWaalsContact CA-SG 3.59Å; C346-C361 HydrophobicContact CB-CB 3.66Å; C346-C361 WeakPolarHBondContact CB-SG 3.42Å; C346-C361 WeakPolarHBondContact SG-CA 3.47Å; C346-C361 WeakPolarHBondContact SG-CB 3.39Å; C346-C361 CovalentContact SG-SG 2.03Å; C346-C361 PolarHBondContact SG-SG 3.32Å; K348-C361 WeakPolarHBondContact CD-O 3.02Å; N357-C361 VanDerWaalsContact O-CA 3.25Å; N357-C361 WeakPolarHBondContact O-CA 3.01Å; N357-C361 PolarHBondContact O-N 3.05Å
362S78.4Confident76.1Confident24 Ų2482.4 Ų82.417%0.16842%0.415CS..EExtended strand (participates in β ladder)trans-116.8144.7-178.854.90000109.8N357 K360 E364N357-S362 WeakPolarHBondContact CB-O 3.39Å; N357-S362 PolarHBondContact N-O 3.39Å; N357-S362 PolarHBondContact O-N 3.48Å; K360-S362 WeakPolarHBondContact CB-OG 3Å; K360-S362 PolarHBondContact O-N 3.43Å; S362-E364 PolarHBondContact OG-OE1 2Å
363C82.1Confident76.1Confident20 Ų2078.4 Ų78.414%0.13540%0.404CS..EExtended strand (participates in β ladder)trans-83.3123.2168.2-52.20000105.5C350 Q354C350-C363 WeakPolarHBondContact CA-SG 3.4Å; C350-C363 HydrophobicContact CB-CB 3.75Å; C350-C363 WeakPolarHBondContact CB-SG 3.14Å; C350-C363 WeakPolarHBondContact SG-CA 3.27Å; C350-C363 WeakPolarHBondContact SG-CB 3.35Å; C350-C363 CovalentContact SG-SG 2.03Å; C350-C363 PolarHBondContact SG-SG 3.31Å; Q354-C363 HydrophobicContact CB-CB 4.24Å; Q354-C363 VanDerWaalsContact CD-C 3.41Å; Q354-C363 HydrophobicContact CG-CB 3.56Å; Q354-C363 PolarHBondContact NE2-O 2.87Å
364E79.4Confident76.1Confident74 Ų7480 Ų8035%0.34642%0.416SS..  trans-131.5142.5-177.7-72.3174.9-175.500109.2P355 N357 S362P355-E364 WeakPolarHBondContact CD-O 3.48Å; P355-E364 VanDerWaalsContact CG-O 3.31Å; P355-E364 WeakPolarHBondContact CG-O 3.04Å; P355-E364 PolarHBondContact O-N 2.95Å; N357-E364 PolarHBondContact ND2-OE2 2.77Å; S362-E364 PolarHBondContact OG-OE1 2Å
365C79.8Confident75.8Confident43 Ų4385.7 Ų85.729%0.29144%0.435SS..  trans-83.1136.2-179.9-63.70000110.4E367 F379 C384C365-E367 VanDerWaalsContact C-N 3.32Å; C365-F379 HydrophobicContact CB-CZ 4.4Å; C365-C384 HydrophobicContact CB-CB 3.47Å; C365-C384 VanDerWaalsContact CB-CB 3.47Å; C365-C384 WeakPolarHBondContact CB-SG 3.44Å; C365-C384 WeakPolarHBondContact SG-CB 3.31Å; C365-C384 CovalentContact SG-SG 2Å; C365-C384 PolarHBondContact SG-SG 2.89Å
366N75.1Confident75.2Confident109 Ų10985.2 Ų85.258%0.58344%0.443SS*.SBendtrans-70.8-29.6179.561.5-12.6000112.6P355P355-N366 HydrophobicContact CG-CB 4.36Å
367E77.5Confident74.9Confident57 Ų5787.2 Ų87.227%0.26645%0.446SS..SBendtrans-100.3138.5175.8-64.7-170.8157.100110.1C365 F379 S385 C386C365-E367 VanDerWaalsContact C-N 3.32Å; E367-F379 HydrophobicContact CB-CD2 4.43Å; E367-F379 HydrophobicContact CB-CE2 4.2Å; E367-F379 WeakPolarHBondContact O-CE2 3.1Å; E367-S385 WeakPolarHBondContact OE2-CA 3.44Å; E367-C386 PolarHBondContact OE2-N 3.44Å; E367-C386 PolarHBondContact OE2-SG 3.36Å
368S77.4Confident74.8Confident53 Ų5394.7 Ų94.737%0.37147%0.471SS..  trans-112.8156.8177.1690000110.5N370 K371 C372S368-N370 PolarHBondContact O-N 2.79Å; S368-N370 VanDerWaalsContact O-N 3.16Å; S368-K371 PolarHBondContact O-N 2.84Å; S368-K371 WeakPolarHBondContact OG-CB 3.06Å; S368-K371 PolarHBondContact OG-N 3.13Å; S368-C372 PolarHBondContact O-N 3.01Å
369P76.3Confident75Confident77 Ų7788.4 Ų88.450%0.544%0.444SS..Hα-helixtrans-48.6-43.7175.6-28.133.8000113C372 F373 F379P369-C372 PolarHBondContact O-N 3.2Å; P369-F373 VanDerWaalsContact O-CB 3.3Å; P369-F373 WeakPolarHBondContact O-CB 3.42Å; P369-F373 PolarHBondContact O-N 2.76Å; P369-F379 HydrophobicContact CB-CB 4.34Å; P369-F379 HydrophobicContact CB-CD1 4.45Å; P369-F379 HydrophobicContact CG-CD1 3.75Å; P369-F379 HydrophobicContact CG-CE1 4.21Å; P369-F379 HydrophobicContact CG-CG 4.24Å
370N73.3Confident75.5Confident119 Ų11986.5 Ų86.564%0.63643%0.426SS*.Hα-helixtrans-67.5-39.9179.5-63.7-14.8000111.9S368 F373 L374S368-N370 PolarHBondContact O-N 2.79Å; S368-N370 VanDerWaalsContact O-N 3.16Å; N370-F373 PolarHBondContact O-N 2.94Å; N370-L374 WeakPolarHBondContact O-CB 3.3Å; N370-L374 VanDerWaalsContact O-CG 3.26Å; N370-L374 WeakPolarHBondContact O-CG 3.16Å; N370-L374 PolarHBondContact O-N 2.83Å
371K76.6Confident75.4Confident112 Ų11287.7 Ų87.749%0.48743%0.434SS..Hα-helixtrans-69.1-33.8179.5-159.5175.5-175.7-177.80112S368 R375S368-K371 PolarHBondContact O-N 2.84Å; S368-K371 WeakPolarHBondContact OG-CB 3.06Å; S368-K371 PolarHBondContact OG-N 3.13Å; K371-R375 WeakPolarHBondContact O-CG 3.01Å; K371-R375 PolarHBondContact O-N 3.24Å
372C74.9Confident74.9Confident0 Ų091.6 Ų91.60%047%0.467CS..Hα-helixtrans-71.1-42.6171.1-660000112.3S368 P369 L374 R375 G376 R377 F379 C386S368-C372 PolarHBondContact O-N 3.01Å; P369-C372 PolarHBondContact O-N 3.2Å; C372-L374 PolarHBondContact O-N 2.88Å; C372-R375 CarbonylContact O-C 3.6Å; C372-R375 WeakPolarHBondContact O-CA 3.46Å; C372-R375 PolarHBondContact O-N 2.02Å; C372-G376 PolarHBondContact O-N 3.42Å; C372-R377 CarbonylContact C-O 3.44Å; C372-R377 WeakPolarHBondContact CB-O 3.48Å; C372-R377 PolarHBondContact O-N 2.8Å; C372-F379 HydrophobicContact CB-CB 3.93Å; C372-F379 VanDerWaalsContact SG-CD2 3.59Å; C372-C386 WeakPolarHBondContact CA-SG 3.39Å; C372-C386 HydrophobicContact CB-CB 3.79Å; C372-C386 WeakPolarHBondContact CB-SG 3.47Å; C372-C386 WeakPolarHBondContact SG-CA 3.3Å; C372-C386 WeakPolarHBondContact SG-CB 3.4Å; C372-C386 CovalentContact SG-SG 2.02Å; C372-C386 PolarHBondContact SG-SG 2.97Å
373F70.4Confident74.6Confident161 Ų16192.7 Ų92.771%0.70647%0.472SS*.Hα-helixtrans-60.4-45.6178.5-179.6-100.5000111.7P369 N370 R375 G376 R377P369-F373 VanDerWaalsContact O-CB 3.3Å; P369-F373 WeakPolarHBondContact O-CB 3.42Å; P369-F373 PolarHBondContact O-N 2.76Å; N370-F373 PolarHBondContact O-N 2.94Å; F373-R375 PolarHBondContact O-N 3.01Å; F373-R375 VanDerWaalsContact O-N 3.14Å; F373-G376 PolarHBondContact O-N 2.92Å; F373-R377 PolarHBondContact N-O 3.44Å
374L71.8Confident74.4Confident148 Ų14892.5 Ų92.578%0.77547%0.471SS*.Hα-helixtrans-60.5-22.7173.9-70.4171.6000113.1N370 C372N370-L374 WeakPolarHBondContact O-CB 3.3Å; N370-L374 VanDerWaalsContact O-CG 3.26Å; N370-L374 WeakPolarHBondContact O-CG 3.16Å; N370-L374 PolarHBondContact O-N 2.83Å; C372-L374 PolarHBondContact O-N 2.88Å
375R70.8Confident74.3Confident179 Ų17990.6 Ų90.668%0.67547%0.466SS*.THydrogen-bonded Turntrans-95.310174.7-69.1-169.3174.8-151.6-2.4113.5K371 C372 F373 R377K371-R375 WeakPolarHBondContact O-CG 3.01Å; K371-R375 PolarHBondContact O-N 3.24Å; C372-R375 CarbonylContact O-C 3.6Å; C372-R375 WeakPolarHBondContact O-CA 3.46Å; C372-R375 PolarHBondContact O-N 2.02Å; F373-R375 PolarHBondContact O-N 3.01Å; F373-R375 VanDerWaalsContact O-N 3.14Å; R375-R377 VanDerWaalsContact C-N 3.26Å; R375-R377 PolarHBondContact O-N 2.91Å
376G63.9Low74.3Confident62 Ų6289.1 Ų89.164%0.63946%0.456SS*.THydrogen-bonded Turntrans6723.9179.500000114C372 F373C372-G376 PolarHBondContact O-N 3.42Å; F373-G376 PolarHBondContact O-N 2.92Å
377R75.4Confident74.1Confident105 Ų10588.2 Ų88.240%0.39645%0.451SS..  trans-122.1153-178.5-65.3-176.1-171.9-160.52.3110.1C372 F373 R375 C386 L387C372-R377 CarbonylContact C-O 3.44Å; C372-R377 WeakPolarHBondContact CB-O 3.48Å; C372-R377 PolarHBondContact O-N 2.8Å; F373-R377 PolarHBondContact N-O 3.44Å; R375-R377 VanDerWaalsContact C-N 3.26Å; R375-R377 PolarHBondContact O-N 2.91Å; R377-C386 HydrophobicContact CB-CB 3.72Å; R377-C386 WeakPolarHBondContact CD-O 3.16Å; R377-C386 HydrophobicContact CG-CB 4.39Å; R377-L387 WeakPolarHBondContact CB-O 3.26Å
378R73.8Confident73.5Confident201 Ų20192.2 Ų92.276%0.75846%0.463SS*.EExtended strand (participates in β ladder)trans-90.1130.2175.7-160.8174.8-170-161.12.1109.4H380 L387R378-H380 PolarHBondContact O-N 3.29Å; R378-L387 PolarHBondContact N-O 3.47Å; R378-L387 PolarHBondContact O-N 3.14Å
379F78.4Confident72.7Confident43 Ų4393.2 Ų93.219%0.18947%0.469CS..EExtended strand (participates in β ladder)trans-71.9124.8174.3179.3-108.2000110.1C365 E367 P369 C372 Q381 C384C365-F379 HydrophobicContact CB-CZ 4.4Å; E367-F379 HydrophobicContact CB-CD2 4.43Å; E367-F379 HydrophobicContact CB-CE2 4.2Å; E367-F379 WeakPolarHBondContact O-CE2 3.1Å; P369-F379 HydrophobicContact CB-CB 4.34Å; P369-F379 HydrophobicContact CB-CD1 4.45Å; P369-F379 HydrophobicContact CG-CD1 3.75Å; P369-F379 HydrophobicContact CG-CE1 4.21Å; P369-F379 HydrophobicContact CG-CG 4.24Å; C372-F379 HydrophobicContact CB-CB 3.93Å; C372-F379 VanDerWaalsContact SG-CD2 3.59Å; F379-Q381 HydrophobicContact CE1-CB 4.44Å; F379-C384 HydrophobicContact CE2-CB 4.28Å; F379-C384 HydrophobicContact CZ-CB 4.24Å
380H77.8Confident71.8Confident82 Ų8295.4 Ų95.438%0.3848%0.483SS..EExtended strand (participates in β ladder)trans-95.3111.7175.4-170.5-98.7000109.8R378 A382 T383 C384 S385 L387R378-H380 PolarHBondContact O-N 3.29Å; H380-A382 VanDerWaalsContact C-N 3.32Å; H380-A382 PolarHBondContact O-N 3.16Å; H380-T383 PolarHBondContact ND1-N 3.43Å; H380-T383 PolarHBondContact ND1-OG1 2.81Å; H380-T383 PolarHBondContact O-N 2.99Å; H380-C384 WeakPolarHBondContact O-CA 3.44Å; H380-C384 PolarHBondContact O-N 2.85Å; H380-S385 PolarHBondContact N-O 2.98Å; H380-L387 HydrophobicContact CB-CD1 3.58Å; H380-L387 HydrophobicContact CB-CG 4.01Å
381Q70.7Confident71.3Confident168 Ų16891 Ų9179%0.78546%0.461SS*.THydrogen-bonded Turntrans-65.7-31-169.3-165.6170.913.200113.6F379F379-Q381 HydrophobicContact CE1-CB 4.44Å
382A69.4Low70.5Confident87 Ų8795 Ų9572%0.71948%0.481SS*.THydrogen-bonded Turntrans-80.3-23.8-177.400000114.1H380H380-A382 VanDerWaalsContact C-N 3.32Å; H380-A382 PolarHBondContact O-N 3.16Å
383T72.9Confident69.5Low46 Ų4699.6 Ų99.628%0.28251%0.509SS..THydrogen-bonded Turntrans-115.60.1-178.556.80000112.7H353 H380 S385H353-T383 WeakPolarHBondContact CB-O 3.48Å; H380-T383 PolarHBondContact ND1-N 3.43Å; H380-T383 PolarHBondContact ND1-OG1 2.81Å; H380-T383 PolarHBondContact O-N 2.99Å; T383-S385 PolarHBondContact O-N 3.16Å; T383-S385 VanDerWaalsContact O-N 3.13Å; T383-S385 PolarHBondContact OG1-OG 3.25Å
384C77.8Confident68.8Low16 Ų16102 Ų10211%0.10851%0.514CS..THydrogen-bonded Turntrans47.241.6-178.2-77.10000114.1C365 F379 H380C365-C384 HydrophobicContact CB-CB 3.47Å; C365-C384 VanDerWaalsContact CB-CB 3.47Å; C365-C384 WeakPolarHBondContact CB-SG 3.44Å; C365-C384 WeakPolarHBondContact SG-CB 3.31Å; C365-C384 CovalentContact SG-SG 2Å; C365-C384 PolarHBondContact SG-SG 2.89Å; F379-C384 HydrophobicContact CE2-CB 4.28Å; F379-C384 HydrophobicContact CZ-CB 4.24Å; H380-C384 WeakPolarHBondContact O-CA 3.44Å; H380-C384 PolarHBondContact O-N 2.85Å
385S77.5Confident68Low34 Ų34106.1 Ų106.124%0.23852%0.519CS..EExtended strand (participates in β ladder)trans-128.3143.1-175.662.80000111.5E367 H380 T383 L387E367-S385 WeakPolarHBondContact OE2-CA 3.44Å; H380-S385 PolarHBondContact N-O 2.98Å; T383-S385 PolarHBondContact O-N 3.16Å; T383-S385 VanDerWaalsContact O-N 3.13Å; T383-S385 PolarHBondContact OG1-OG 3.25Å; S385-L387 PolarHBondContact O-N 2.99Å
386C77.7Confident67.5Low13 Ų13107.1 Ų107.19%0.08852%0.523CS..EExtended strand (participates in β ladder)trans-75.6101.6169.7-56.40000111.5E367 C372 R377E367-C386 PolarHBondContact OE2-N 3.44Å; E367-C386 PolarHBondContact OE2-SG 3.36Å; C372-C386 WeakPolarHBondContact CA-SG 3.39Å; C372-C386 HydrophobicContact CB-CB 3.79Å; C372-C386 WeakPolarHBondContact CB-SG 3.47Å; C372-C386 WeakPolarHBondContact SG-CA 3.3Å; C372-C386 WeakPolarHBondContact SG-CB 3.4Å; C372-C386 CovalentContact SG-SG 2.02Å; C372-C386 PolarHBondContact SG-SG 2.97Å; R377-C386 HydrophobicContact CB-CB 3.72Å; R377-C386 WeakPolarHBondContact CD-O 3.16Å; R377-C386 HydrophobicContact CG-CB 4.39Å
387L71.1Confident67.7Low89 Ų89114.1 Ų114.147%0.46654%0.535SS..EExtended strand (participates in β ladder)trans-89.5138.5174.2-64.3175.3000110.6R377 R378 H380 S385R377-L387 WeakPolarHBondContact CB-O 3.26Å; R378-L387 PolarHBondContact N-O 3.47Å; R378-L387 PolarHBondContact O-N 3.14Å; H380-L387 HydrophobicContact CB-CD1 3.58Å; H380-L387 HydrophobicContact CB-CG 4.01Å; S385-L387 PolarHBondContact O-N 2.99Å
388R65.4Low67.5Low141 Ų141110.6 Ų110.653%0.53253%0.527SS..PPolyproline II helixtrans-78.9125.2171.1-166-177.4-77.4131.7-12107.3
389P60.6Low67.6Low74 Ų74108.5 Ų108.548%0.48153%0.526SS..PPolyproline II helixtrans-60.5139.917722.6-29.9000109.9C391P389-C391 PolarHBondContact O-N 3.49Å
390P58.5Low67.3Low123 Ų123111.5 Ų111.580%0.79956%0.559SS**PPolyproline II helixtrans-60.6133.9173.224.2-30.9000109.1E392P390-E392 PolarHBondContact O-N 2.92Å
391C61Low67.2Low26 Ų26109.9 Ų109.918%0.17656%0.564CS.*PPolyproline II helixtrans-55.2128.2175.9-54.10000108.7P389 V393 F404 C409P389-C391 PolarHBondContact O-N 3.49Å; C391-V393 VanDerWaalsContact C-N 3.28Å; C391-V393 WeakPolarHBondContact O-CG2 3.49Å; C391-V393 PolarHBondContact O-N 3.32Å; C391-F404 HydrophobicContact CB-CE1 4.28Å; C391-F404 HydrophobicContact CB-CZ 4.05Å; C391-C409 VanDerWaalsContact CA-SG 3.58Å; C391-C409 HydrophobicContact CB-CB 3.73Å; C391-C409 WeakPolarHBondContact CB-SG 3.42Å; C391-C409 WeakPolarHBondContact SG-CA 3.09Å; C391-C409 WeakPolarHBondContact SG-CB 3.06Å; C391-C409 CovalentContact SG-SG 2.03Å; C391-C409 PolarHBondContact SG-SG 3.18Å
392E60.8Low67.6Low196 Ų196106.2 Ų106.292%0.91655%0.546SS*.  trans-66.191.7171.9-99177.8163.800108.7P390 R394P390-E392 PolarHBondContact O-N 2.92Å; E392-R394 VanDerWaalsContact C-N 3.29Å; E392-R394 PolarHBondContact O-N 2.91Å
393V54.8Low67.9Low97 Ų97104.3 Ų104.359%0.58852%0.521SS*.  trans-75.280.5-175.3-134.80000109.7C391 R395C391-V393 VanDerWaalsContact C-N 3.28Å; C391-V393 WeakPolarHBondContact O-CG2 3.49Å; C391-V393 PolarHBondContact O-N 3.32Å; V393-R395 HydrophobicContact CB-CG 4.42Å; V393-R395 HydrophobicContact CG1-CG 3.79Å; V393-R395 PolarHBondContact O-N 3.21Å; V393-R395 VanDerWaalsContact O-N 3.16Å
394R53.8Low68Low213 Ų213105.9 Ų105.980%0.80452%0.524SS*.  trans-71.796.5141.4-88-175.4166.3176.8-4.1105E392 R396E392-R394 VanDerWaalsContact C-N 3.29Å; E392-R394 PolarHBondContact O-N 2.91Å; R394-R396 PolarHBondContact O-N 3.21Å
395R56.1Low67.6Low233 Ų233105.7 Ų105.788%0.87952%0.523SS*.  trans-57.874.4174.9-72-175.7178.5-175.7-0.3110.3V393 K397V393-R395 HydrophobicContact CB-CG 4.42Å; V393-R395 HydrophobicContact CG1-CG 3.79Å; V393-R395 PolarHBondContact O-N 3.21Å; V393-R395 VanDerWaalsContact O-N 3.16Å; R395-K397 PolarHBondContact O-N 2.03Å
396R59.6Low67Low201 Ų201111.5 Ų111.576%0.75855%0.547SS*.PPolyproline II helixtrans-75.5117.6162.9-69.5-173176-171.2-0.8105.2R394 C398R394-R396 PolarHBondContact O-N 3.21Å; R396-C398 PolarHBondContact O-N 3.26Å; R396-C398 VanDerWaalsContact O-N 3.15Å
397K68.4Low66.3Low208 Ų208117 Ų11790%0.90457%0.571SS**PPolyproline II helixtrans-55.1121.6169.6-85.6178.5174.5177.50107R395R395-K397 PolarHBondContact O-N 2.03Å
398C71.7Confident66Low32 Ų32116.4 Ų116.422%0.21657%0.571CS.*PPolyproline II helixtrans-62.1144.1171.8-610000109R396 F402 F404 C411R396-C398 PolarHBondContact O-N 3.26Å; R396-C398 VanDerWaalsContact O-N 3.15Å; C398-F402 HydrophobicContact CB-CB 4.02Å; C398-F402 VanDerWaalsContact CB-O 3.31Å; C398-F402 WeakPolarHBondContact CB-O 3.46Å; C398-F404 PolarHBondContact SG-N 2.03Å; C398-C411 WeakPolarHBondContact CA-SG 3.45Å; C398-C411 HydrophobicContact CB-CB 3.67Å; C398-C411 WeakPolarHBondContact CB-SG 3.02Å; C398-C411 VanDerWaalsContact SG-CA 3.59Å; C398-C411 WeakPolarHBondContact SG-CB 3.4Å; C398-C411 CovalentContact SG-SG 2.03Å; C398-C411 PolarHBondContact SG-SG 2.65Å
399E75Confident66.2Low156 Ų156112.5 Ų112.573%0.72956%0.564SS**PPolyproline II helixtrans-59.7156175.8-70.6176.1175.100111.2G401 F402E399-G401 PolarHBondContact O-N 3.15Å; E399-F402 PolarHBondContact O-N 3.47Å
400A73.1Confident66.6Low107 Ų107116.1 Ų116.188%0.88457%0.568SS**THydrogen-bonded Turntrans-56125.3-178.800000110.4
401G76.1Confident67.4Low48 Ų48112.7 Ų112.750%0.49555%0.547SS..THydrogen-bonded Turntrans96.8-2.8-173.900000115E399 S414E399-G401 PolarHBondContact O-N 3.15Å; G401-S414 WeakPolarHBondContact O-CB 3.35Å; G401-S414 PolarHBondContact O-N 2.82Å; G401-S414 PolarHBondContact O-OG 3.49Å
402F78Confident68.2Low90 Ų90112 Ų11240%0.39554%0.542SS..EExtended strand (participates in β ladder)trans-118.9143.3172.9-66.1-105.3000111.7C398 E399 C411 V412 P413 S414C398-F402 HydrophobicContact CB-CB 4.02Å; C398-F402 VanDerWaalsContact CB-O 3.31Å; C398-F402 WeakPolarHBondContact CB-O 3.46Å; E399-F402 PolarHBondContact O-N 3.47Å; F402-C411 HydrophobicContact CB-CB 4.14Å; F402-V412 CarbonylContact C-O 3.53Å; F402-V412 WeakPolarHBondContact CA-O 3.21Å; F402-V412 WeakPolarHBondContact CB-O 3.42Å; F402-P413 HydrophobicContact CD1-CB 4.41Å; F402-P413 HydrophobicContact CD1-CG 4.06Å; F402-P413 HydrophobicContact CE1-CB 4.24Å; F402-P413 HydrophobicContact CE1-CG 3.61Å; F402-P413 HydrophobicContact CZ-CG 4.32Å; F402-S414 PolarHBondContact N-OG 2.69Å
403F76.4Confident69.1Low47 Ų47104.3 Ų104.321%0.20651%0.508CS..EExtended strand (participates in β ladder)trans-117149.5171.377.4-76.3000110.4S405 C411 V412 P413 R417F403-S405 PolarHBondContact O-N 3Å; F403-C411 CarbonylContact O-C 3.51Å; F403-C411 WeakPolarHBondContact O-CA 3.48Å; F403-V412 HydrophobicContact CD1-CG2 3.93Å; F403-V412 WeakPolarHBondContact CD1-O 3.45Å; F403-V412 HydrophobicContact CE1-CG2 3.56Å; F403-V412 HydrophobicContact CE2-CG2 4.18Å; F403-V412 HydrophobicContact CG-CG2 4.44Å; F403-V412 HydrophobicContact CZ-CG2 3.7Å; F403-V412 PolarHBondContact N-O 2.81Å; F403-V412 WeakPolarHBondContact O-CG2 3.2Å; F403-V412 PolarHBondContact O-N 3.49Å; F403-P413 WeakPolarHBondContact CE1-O 3.37Å; F403-R417 HydrophobicContact CE1-CB 3.93Å; F403-R417 HydrophobicContact CZ-CB 4.02Å; F403-R417 HydrophobicContact CZ-CG 4.44Å
404F74.8Confident70.1Confident80 Ų80101.9 Ų101.935%0.35150%0.496SS..EExtended strand (participates in β ladder)trans-75.5118.7175.7-171.2-96.4000109.3C391 C398 E406 C409C391-F404 HydrophobicContact CB-CE1 4.28Å; C391-F404 HydrophobicContact CB-CZ 4.05Å; C398-F404 PolarHBondContact SG-N 2.03Å; F404-E406 HydrophobicContact CD1-CG 4.49Å; F404-C409 HydrophobicContact CZ-CB 4.36Å
405S68.6Low71.2Confident11 Ų1199 Ų998%0.07749%0.492CS..EExtended strand (participates in β ladder)trans-92.1119173.9173.60000110.1F403 E407 V408 C409 R410F403-S405 PolarHBondContact O-N 3Å; S405-E407 PolarHBondContact O-N 2.89Å; S405-E407 WeakPolarHBondContact OG-CB 3.31Å; S405-E407 PolarHBondContact OG-N 3.32Å; S405-V408 PolarHBondContact O-N 3.39Å; S405-C409 WeakPolarHBondContact O-CA 3.02Å; S405-C409 PolarHBondContact O-N 3.36Å; S405-R410 PolarHBondContact N-O 3.18Å
406E66.6Low72Confident157 Ų15796.2 Ų96.273%0.73448%0.481SS*.THydrogen-bonded Turntrans-66.6-14.5172.5-62-171.1170.800112.5F404F404-E406 HydrophobicContact CD1-CG 4.49Å
407E61.7Low72.3Confident129 Ų12993.8 Ų93.860%0.60347%0.472SS*.THydrogen-bonded Turntrans-76.6-31.3176.9-55.4-171.1151.400112.7S405 R418S405-E407 PolarHBondContact O-N 2.89Å; S405-E407 WeakPolarHBondContact OG-CB 3.31Å; S405-E407 PolarHBondContact OG-N 3.32Å; E407-R418 IonicContact OE2-NH2 3.95Å
408V65Low71.9Confident75 Ų7593.1 Ų93.146%0.45546%0.464SS..THydrogen-bonded Turntrans-123.72.8-173.7-135.30000113S405 R410S405-V408 PolarHBondContact O-N 3.39Å; V408-R410 HydrophobicContact CB-CG 4.18Å; V408-R410 PolarHBondContact O-N 3.39Å
409C70Confident71Confident59 Ų5999.6 Ų99.640%0.39950%0.495SS..THydrogen-bonded Turntrans48.836.7-178.6-61.90000114.9C391 F404 S405C391-C409 VanDerWaalsContact CA-SG 3.58Å; C391-C409 HydrophobicContact CB-CB 3.73Å; C391-C409 WeakPolarHBondContact CB-SG 3.42Å; C391-C409 WeakPolarHBondContact SG-CA 3.09Å; C391-C409 WeakPolarHBondContact SG-CB 3.06Å; C391-C409 CovalentContact SG-SG 2.03Å; C391-C409 PolarHBondContact SG-SG 3.18Å; F404-C409 HydrophobicContact CZ-CB 4.36Å; S405-C409 WeakPolarHBondContact O-CA 3.02Å; S405-C409 PolarHBondContact O-N 3.36Å
410R67.8Low69.6Low151 Ų151103.1 Ų103.157%0.5752%0.519SS*.EExtended strand (participates in β ladder)trans-148.5161.517966.1-174176.8167.4-0.6111.9S405 V408 V412S405-R410 PolarHBondContact N-O 3.18Å; V408-R410 HydrophobicContact CB-CG 4.18Å; V408-R410 PolarHBondContact O-N 3.39Å; R410-V412 HydrophobicContact CG-CG1 4.02Å; R410-V412 PolarHBondContact O-N 3.08Å
411C77Confident69.4Low51 Ų51103 Ų10335%0.34550%0.501SS..EExtended strand (participates in β ladder)trans-68.8120.9170.6-61.30000109.7C398 F402 F403C398-C411 WeakPolarHBondContact CA-SG 3.45Å; C398-C411 HydrophobicContact CB-CB 3.67Å; C398-C411 WeakPolarHBondContact CB-SG 3.02Å; C398-C411 VanDerWaalsContact SG-CA 3.59Å; C398-C411 WeakPolarHBondContact SG-CB 3.4Å; C398-C411 CovalentContact SG-SG 2.03Å; C398-C411 PolarHBondContact SG-SG 2.65Å; F402-C411 HydrophobicContact CB-CB 4.14Å; F403-C411 CarbonylContact O-C 3.51Å; F403-C411 WeakPolarHBondContact O-CA 3.48Å
412V76.4Confident69.1Low12 Ų12105.8 Ų105.87%0.07350%0.501CS..EExtended strand (participates in β ladder)trans-120.4152.7178.1-67.70000110F402 F403 R410F402-V412 CarbonylContact C-O 3.53Å; F402-V412 WeakPolarHBondContact CA-O 3.21Å; F402-V412 WeakPolarHBondContact CB-O 3.42Å; F403-V412 HydrophobicContact CD1-CG2 3.93Å; F403-V412 WeakPolarHBondContact CD1-O 3.45Å; F403-V412 HydrophobicContact CE1-CG2 3.56Å; F403-V412 HydrophobicContact CE2-CG2 4.18Å; F403-V412 HydrophobicContact CG-CG2 4.44Å; F403-V412 HydrophobicContact CZ-CG2 3.7Å; F403-V412 PolarHBondContact N-O 2.81Å; F403-V412 WeakPolarHBondContact O-CG2 3.2Å; F403-V412 PolarHBondContact O-N 3.49Å; R410-V412 HydrophobicContact CG-CG1 4.02Å; R410-V412 PolarHBondContact O-N 3.08Å
413P79.9Confident68.6Low33 Ų33106.7 Ų106.721%0.21451%0.507CS..EExtended strand (participates in β ladder)trans-57.5140.8-178.2-23.631.9000112.8F402 F403 H415 W416F402-P413 HydrophobicContact CD1-CB 4.41Å; F402-P413 HydrophobicContact CD1-CG 4.06Å; F402-P413 HydrophobicContact CE1-CB 4.24Å; F402-P413 HydrophobicContact CE1-CG 3.61Å; F402-P413 HydrophobicContact CZ-CG 4.32Å; F403-P413 WeakPolarHBondContact CE1-O 3.37Å; P413-H415 WeakPolarHBondContact CB-CE1 3.46Å; P413-H415 WeakPolarHBondContact CB-ND1 3.4Å; P413-H415 PolarHBondContact O-N 2.79Å; P413-H415 VanDerWaalsContact O-N 3.16Å; P413-W416 WeakPolarHBondContact O-CB 3.2Å; P413-W416 PolarHBondContact O-N 3.24Å
414S76.8Confident68.1Low47 Ų47110.2 Ų110.233%0.32953%0.525SS..G310 helixtrans-60.8-27.4-175.7-54.80000114.1G401 F402 W416 R417G401-S414 WeakPolarHBondContact O-CB 3.35Å; G401-S414 PolarHBondContact O-N 2.82Å; G401-S414 PolarHBondContact O-OG 3.49Å; F402-S414 PolarHBondContact N-OG 2.69Å; S414-W416 PolarHBondContact O-N 3.37Å; S414-R417 WeakPolarHBondContact O-CB 3.39Å; S414-R417 PolarHBondContact O-N 2.99Å
415H76.1Confident67.7Low153 Ų153112.1 Ų112.171%0.70854%0.536SS*.G310 helixtrans-75.5-8.4177.365.7-86.1000113.7P413 R417P413-H415 WeakPolarHBondContact CB-CE1 3.46Å; P413-H415 WeakPolarHBondContact CB-ND1 3.4Å; P413-H415 PolarHBondContact O-N 2.79Å; P413-H415 VanDerWaalsContact O-N 3.16Å; H415-R417 VanDerWaalsContact C-N 3.26Å
416W72.4Confident67.6Low173 Ų173118.9 Ų118.966%0.65557%0.566SS**G310 helixtrans-86-0.8171.3-75.136.8000112.4P413 S414 R418P413-W416 WeakPolarHBondContact O-CB 3.2Å; P413-W416 PolarHBondContact O-N 3.24Å; S414-W416 PolarHBondContact O-N 3.37Å; W416-R418 PolarHBondContact O-N 3.16Å; W416-R418 VanDerWaalsContact O-N 3.08Å
417R67.4Low67.7Low151 Ų151116.1 Ų116.157%0.5755%0.554SS**  trans-65.9109.1171.8-170.9-177.7-65.7-1670.3107.4F403 S414 H415 L419F403-R417 HydrophobicContact CE1-CB 3.93Å; F403-R417 HydrophobicContact CZ-CB 4.02Å; F403-R417 HydrophobicContact CZ-CG 4.44Å; S414-R417 WeakPolarHBondContact O-CB 3.39Å; S414-R417 PolarHBondContact O-N 2.99Å; H415-R417 VanDerWaalsContact C-N 3.26Å; R417-L419 PolarHBondContact O-N 3.22Å
418R59.2Low68.2Low194 Ų194115.2 Ų115.273%0.73255%0.551SS**  trans-59121.3167.2-79.6-175.3-101-176.6-0.4107E407 W416 D420E407-R418 IonicContact OE2-NH2 3.95Å; W416-R418 PolarHBondContact O-N 3.16Å; W416-R418 VanDerWaalsContact O-N 3.08Å; R418-D420 PolarHBondContact O-N 2.95Å
419L52.7Low68.5Low168 Ų168118.5 Ų118.588%0.8856%0.559SS**  trans-72.5112.8164.3-71.2157.7000104.5R417R417-L419 PolarHBondContact O-N 3.22Å
420D45.7Very low68.3Low230 Ų230123.9 Ų123.9100%1.2357%0.573SS**  trans-66.50170.9-73.3-33.4000110.7R418R418-D420 PolarHBondContact O-N 2.95Å

Retrieved 420 of 420 residues in 151.1 ms (Link to these results)