A0A093JJG7_STRCA Loading...

Alpha-crystallin B chain

May contribute to the transparency and refractive index of the lens.

AlphaFold DB , UniProt , Accession A0A093JJG7, Species STRCA (Struthio camelus australis), Gene n/a, Length 174 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
1M43.6Very low44.5Very low247 Ų247156.2 Ų156.2100%1.21780%0.798SS**  0102.30-70.3-167.2-177.100106.4
2D45.7Very low45.1Very low161 Ų161160.6 Ų160.686%0.86180%0.797SS**  trans-77.1130.5173.5-61.4-61.9000109.6
3I41.8Very low44.9Very low155 Ų155156.5 Ų156.580%0.79579%0.789SS**  trans-149.6109.5136.7-49.4-179.1000108.8I5I3-I5 HydrophobicContact CG2-CD1 4.35Å; I3-I5 HydrophobicContact CG2-CG1 4.02Å
4T45.7Very low44.8Very low135 Ų135156 Ų15683%0.82879%0.789SS**  trans-86132.6157.347.10000109.5
5I46.7Very low44.6Very low153 Ų153155.3 Ų155.379%0.78579%0.787SS**  trans-137.2107.9152.6-56.3178.6000108.4I3I3-I5 HydrophobicContact CG2-CD1 4.35Å; I3-I5 HydrophobicContact CG2-CG1 4.02Å
6H44.3Very low44.4Very low175 Ų175150.6 Ų150.681%0.8177%0.773SS**  trans-86.6140.4155.2-122.1-77.9000107.6
7N38.2Very low44.3Very low118 Ų118151.2 Ų151.263%0.63178%0.777SS**  trans-143.3113.3150-162.832000111.4L9N7-L9 PolarHBondContact O-N 2.89Å
8P49.3Very low44.3Very low108 Ų108151.6 Ų151.670%0.70178%0.78SS**  trans-9364.5-178.937.3-32.2000110.8
9L41.8Very low44.3Very low105 Ų105146.5 Ų146.555%0.5576%0.762SS.*  trans-13966.1-177.9-73.2172.3000112.2N7 R11N7-L9 PolarHBondContact O-N 2.89Å; L9-R11 HydrophobicContact CD2-CG 4.41Å; L9-R11 PolarHBondContact O-N 3.04Å
10I48.9Very low44Very low175 Ų175144.1 Ų144.190%0.89776%0.756SS**  trans-75.386.5146.6-61.3173000105.3R12I10-R12 PolarHBondContact O-N 2.88Å; I10-R12 VanDerWaalsContact O-N 3.17Å
11R43.3Very low43.8Very low186 Ų186143.2 Ų143.270%0.70276%0.762SS**PPolyproline II helixtrans-59.3119.4165.9-76.1-170.2175.3-1430.7106.9L9L9-R11 HydrophobicContact CD2-CG 4.41Å; L9-R11 PolarHBondContact O-N 3.04Å
12R51.6Low44Very low209 Ų209139.6 Ų139.679%0.78974%0.735SS**PPolyproline II helixtrans-46.3134.2156.4-67.8-179.4175.2-174.2-1.9107.3I10 L14I10-R12 PolarHBondContact O-N 2.88Å; I10-R12 VanDerWaalsContact O-N 3.17Å; R12-L14 PolarHBondContact O-N 3.28Å
13P42.4Very low44.1Very low107 Ų107138.7 Ų138.770%0.69573%0.729SS**PPolyproline II helixtrans-56.4131.5176.123.5-31.3000108.1L15 S16P13-L15 PolarHBondContact O-N 3Å; P13-S16 PolarHBondContact O-N 3.22Å
14L44.3Very low44.1Very low150 Ų150140.9 Ų140.979%0.78573%0.733SS**THydrogen-bonded Turntrans-63.73.9-172.6-146.3109.2000113.7R12R12-L14 PolarHBondContact O-N 3.28Å
15L41.9Very low44Very low146 Ų146140.2 Ų140.276%0.76472%0.724SS**THydrogen-bonded Turntrans-106.226.2176.9-84158000112.8P13 L17P13-L15 PolarHBondContact O-N 3Å; L15-L17 PolarHBondContact O-N 3.08Å
16S40.4Very low44.2Very low80 Ų80135.8 Ų135.856%0.55970%0.7SS**THydrogen-bonded Turntrans-69.56.8173.1-169.60000114.3P13P13-S16 PolarHBondContact O-N 3.22Å
17L43.9Very low44.5Very low160 Ų160130.2 Ų130.284%0.83868%0.679SS**THydrogen-bonded Turntrans-90.8-7.6-172.2-88.4151.9000114.9L15L15-L17 PolarHBondContact O-N 3.08Å
18L43Very low44.8Very low159 Ų159134.6 Ų134.683%0.83269%0.692SS**SBendtrans-127.63.7-176.1-79.9154.6000114.3
19A45.4Very low44.8Very low54 Ų54132.2 Ų132.245%0.44669%0.688SS.*SBendtrans-111.1124.4177.400000109.6
20P38.4Very low45.3Very low99 Ų99130.7 Ų130.764%0.64368%0.678SS**  trans-59.1154.616826.8-32000108.7R22P20-R22 WeakPolarHBondContact O-CG 3.48Å; P20-R22 PolarHBondContact O-N 3.3Å
21S39.3Very low45.5Very low125 Ų125130.5 Ų130.587%0.87467%0.673SS**  trans-51.694177.837.60000111.1
22R48.4Very low46Very low171 Ų171126.6 Ų126.665%0.64567%0.665SS**PPolyproline II helixtrans-84.3120.4176.3-72.5-175.2-173.7-176.20.8108.2P20 F24P20-R22 WeakPolarHBondContact O-CG 3.48Å; P20-R22 PolarHBondContact O-N 3.3Å; R22-F24 PolarHBondContact O-N 3.08Å
23I47.6Very low45.9Very low142 Ų142122.5 Ų122.573%0.72866%0.655SS**PPolyproline II helixtrans-65.7116.5165.8-66.9167.5000106D25I23-D25 PolarHBondContact O-N 3.21Å
24F41.7Very low46Very low201 Ų201124.6 Ų124.688%0.88266%0.655SS**SBendtrans-59.9130.8-179.5-106.7-104.1000109.7R22R22-F24 PolarHBondContact O-N 3.08Å
25D42.5Very low46.2Very low121 Ų121120.8 Ų120.865%0.64764%0.642SS**  trans75.3105.4170.1-151.71.3000117.1I23 T27I23-D25 PolarHBondContact O-N 3.21Å; D25-T27 PolarHBondContact OD1-N 2.74Å; D25-T27 PolarHBondContact OD1-OG1 2.93Å
26Q51.9Low46.5Very low60 Ų60118.9 Ų118.928%0.2863%0.629SS.*  trans-127.513.8172.1-67.4-175.427.800111.3L64Q26-L64 HydrophobicContact CB-CD2 4.21Å; Q26-L64 HydrophobicContact CG-CD2 4.36Å
27T50.9Low47Very low59 Ų59120 Ų12036%0.36263%0.628SS.*  trans-102.820.1-171.741.50000113.7D25 G29 E30D25-T27 PolarHBondContact OD1-N 2.74Å; D25-T27 PolarHBondContact OD1-OG1 2.93Å; T27-G29 PolarHBondContact O-N 3.3Å; T27-G29 VanDerWaalsContact O-N 3.12Å; T27-E30 PolarHBondContact O-N 2.73Å
28F44.4Very low47.1Very low209 Ų209118 Ų11892%0.91762%0.618SS**THydrogen-bonded Turntrans-67.1112.3178.8-172.8-96.1000110.8
29G48.8Very low47.1Very low59 Ų59115.6 Ų115.661%0.60861%0.611SS**THydrogen-bonded Turntrans87.48.9175.300000116.1T27T27-G29 PolarHBondContact O-N 3.3Å; T27-G29 VanDerWaalsContact O-N 3.12Å
30E53Low47.2Very low73 Ų73119.7 Ų119.734%0.34163%0.631SS.*  trans-76.3144.6163.8-76.2-165.7143.300110.2T27 K81T27-E30 PolarHBondContact O-N 2.73Å; E30-K81 IonicContact OE1-NZ 3.66Å; E30-K81 PolarHBondContact OE1-NZ 3.25Å
31H51.8Low47.6Very low171 Ų171117.7 Ų117.779%0.79262%0.62SS**  trans-63.2135.1-178.8-169.474.1000110.5Q33H31-Q33 PolarHBondContact O-N 3.14Å; H31-Q33 VanDerWaalsContact O-N 3.09Å
32L53.4Low47.8Very low104 Ų104118.5 Ų118.555%0.54562%0.622SS.*  trans-61.3113.3166.2-69.8171.5000107E36 L37L32-E36 WeakPolarHBondContact CA-OE2 3.46Å; L32-E36 VanDerWaalsContact CD2-OE2 3.23Å; L32-E36 WeakPolarHBondContact CD2-OE2 3.33Å; L32-L37 HydrophobicContact CB-CD2 4.25Å; L32-L37 HydrophobicContact CD1-CD2 4.12Å
33Q50.8Low47.9Very low123 Ų123113.9 Ų113.958%0.57563%0.627SS**  trans-62.1147.1179-157.2-178.33.600108.5H31 S35 E36H31-Q33 PolarHBondContact O-N 3.14Å; H31-Q33 VanDerWaalsContact O-N 3.09Å; Q33-S35 WeakPolarHBondContact CB-OG 3.46Å; Q33-S35 WeakPolarHBondContact CG-OG 3.05Å; Q33-S35 PolarHBondContact O-N 3.01Å; Q33-S35 PolarHBondContact OE1-OG 3.11Å; Q33-E36 HydrophobicContact CB-CG 4.28Å; Q33-E36 WeakPolarHBondContact O-CA 3.44Å; Q33-E36 VanDerWaalsContact O-CB 3.27Å; Q33-E36 WeakPolarHBondContact O-CB 3.32Å; Q33-E36 PolarHBondContact O-N 2.84Å
34E44.7Very low47.9Very low150 Ų150111.8 Ų111.870%0.70162%0.617SS**Hα-helixtrans-58.9-23.5-177.8-141.7172.6-169.700112.5E36 L37 L38E34-E36 VanDerWaalsContact C-N 3.26Å; E34-E36 PolarHBondContact O-N 3.27Å; E34-L37 PolarHBondContact O-N 3.06Å; E34-L38 PolarHBondContact O-N 3.17Å
35S48.5Very low48Very low71 Ų71105 Ų10550%0.49760%0.595SS.*Hα-helixtrans-67.7-16.8169.4520000114.7Q33Q33-S35 WeakPolarHBondContact CB-OG 3.46Å; Q33-S35 WeakPolarHBondContact CG-OG 3.05Å; Q33-S35 PolarHBondContact O-N 3.01Å; Q33-S35 PolarHBondContact OE1-OG 3.11Å
36E48.3Very low48.2Very low106 Ų106103.9 Ų103.950%0.49559%0.592SS.*Hα-helixtrans-91.9-17.1172.7-57-170.3147.900112.3L32 Q33 E34L32-E36 WeakPolarHBondContact CA-OE2 3.46Å; L32-E36 VanDerWaalsContact CD2-OE2 3.23Å; L32-E36 WeakPolarHBondContact CD2-OE2 3.33Å; Q33-E36 HydrophobicContact CB-CG 4.28Å; Q33-E36 WeakPolarHBondContact O-CA 3.44Å; Q33-E36 VanDerWaalsContact O-CB 3.27Å; Q33-E36 WeakPolarHBondContact O-CB 3.32Å; Q33-E36 PolarHBondContact O-N 2.84Å; E34-E36 VanDerWaalsContact C-N 3.26Å; E34-E36 PolarHBondContact O-N 3.27Å
37L51.3Low47.9Very low104 Ų104109.4 Ų109.455%0.54562%0.616SS.*Hα-helixtrans-87.8-24.1179.7-62.8178.2000113.1L32 E34L32-L37 HydrophobicContact CB-CD2 4.25Å; L32-L37 HydrophobicContact CD1-CD2 4.12Å; E34-L37 PolarHBondContact O-N 3.06Å
38L45.3Very low47.6Very low118 Ų118112.4 Ų112.462%0.61863%0.629SS**SBendtrans-120.9115.4-176.5-68.5169.5000111.4E34 T40E34-L38 PolarHBondContact O-N 3.17Å; L38-T40 PolarHBondContact O-N 3.22Å
39P43.7Very low47.6Very low108 Ų108108.7 Ų108.770%0.70162%0.616SS**  trans-69.1101.3172.428-31.5000109.1S41P39-S41 PolarHBondContact O-N 2.82Å; P39-S41 VanDerWaalsContact O-N 3.09Å
40T46.3Very low47.6Very low139 Ų139113 Ų11385%0.85361%0.614SS**SBendtrans-70.60178.7-16.20000113.4L38L38-T40 PolarHBondContact O-N 3.22Å
41S47.5Very low47.1Very low58 Ų58111.7 Ų111.741%0.40661%0.613SS.*SBendtrans-159.8138.9168.559.80000112.7P39 G43P39-S41 PolarHBondContact O-N 2.82Å; P39-S41 VanDerWaalsContact O-N 3.09Å; S41-G43 PolarHBondContact O-N 2.76Å
42P43.2Very low46.7Very low142 Ų142108.2 Ų108.292%0.92261%0.605SS**THydrogen-bonded Turntrans-80.7104.4172.831.5-28.6000108.8
43G51.1Low46.3Very low74 Ų74109.8 Ų109.876%0.76361%0.613SS**THydrogen-bonded Turntrans145.6-12.8169.700000116.1S41S41-G43 PolarHBondContact O-N 2.76Å
44L47.2Very low46.1Very low97 Ų97113.3 Ų113.351%0.50863%0.627SS.*SBendtrans-113.3112.9174.5-64.6174.7000109.2T46 M49L44-T46 PolarHBondContact O-N 2.68Å; L44-M49 HydrophobicContact CB-CE 4.06Å; L44-M49 HydrophobicContact CD1-CE 3.39Å; L44-M49 HydrophobicContact CG-CE 4.32Å
45S42.8Very low46.2Very low60 Ų60110.9 Ų110.942%0.4261%0.611SS.*  trans-47.4130.5171.8-176.60000110.4F47 L48S45-F47 PolarHBondContact O-N 2.64Å; S45-F47 VanDerWaalsContact OG-CD2 3.23Å; S45-F47 WeakPolarHBondContact OG-CD2 3.05Å; S45-L48 PolarHBondContact O-N 2.67Å
46T47.4Very low45.9Very low96 Ų96113.6 Ų113.659%0.58962%0.618SS**THydrogen-bonded Turntrans-54.1-19.9174.530.50000112.6L44 L48L44-T46 PolarHBondContact O-N 2.68Å; T46-L48 VanDerWaalsContact C-N 3.28Å; T46-L48 PolarHBondContact O-N 2.85Å
47F45.1Very low45.6Very low176 Ų176112.1 Ų112.177%0.77262%0.617SS**THydrogen-bonded Turntrans-69.3-18.3173-62.6-87.6000114.2S45S45-F47 PolarHBondContact O-N 2.64Å; S45-F47 VanDerWaalsContact OG-CD2 3.23Å; S45-F47 WeakPolarHBondContact OG-CD2 3.05Å
48L44.9Very low45.5Very low122 Ų122109.9 Ų109.964%0.63961%0.61SS**THydrogen-bonded Turntrans-98.3-18.9-178.2-64.3175.5000113.8S45 T46 R50S45-L48 PolarHBondContact O-N 2.67Å; T46-L48 VanDerWaalsContact C-N 3.28Å; T46-L48 PolarHBondContact O-N 2.85Å; L48-R50 PolarHBondContact O-N 2.82Å
49M44.9Very low45.6Very low131 Ų131108.2 Ų108.265%0.64560%0.596SS**SBendtrans-81.5-3.5176-70.7-63.4150.400113.3L44 S51L44-M49 HydrophobicContact CB-CE 4.06Å; L44-M49 HydrophobicContact CD1-CE 3.39Å; L44-M49 HydrophobicContact CG-CE 4.32Å; M49-S51 PolarHBondContact O-N 3.06Å
50R48.2Very low45.5Very low150 Ų150107.5 Ų107.557%0.56659%0.585SS**  trans-78.941.3171.7-142.6173.2-167.7-1144.9111.7L48L48-R50 PolarHBondContact O-N 2.82Å
51S42.9Very low45.2Very low46 Ų46105.8 Ų105.832%0.32257%0.567SS.*  trans-74.2127.1-178.4-1700000110.2M49 I53M49-S51 PolarHBondContact O-N 3.06Å; S51-I53 PolarHBondContact O-N 3.28Å
52P44.2Very low44.9Very low98 Ų98103.9 Ų103.964%0.63655%0.553SS**G310 helixtrans-74.2-2.3-178.430.8-35.1000113.5
53I45Very low45.3Very low137 Ų13797.6 Ų97.670%0.70352%0.515SS*.G310 helixtrans-82.1-25.2-169.1-60.2169.1000112.5S51S51-I53 PolarHBondContact O-N 3.28Å
54F45.4Very low45.7Very low196 Ų19696.6 Ų96.686%0.8649%0.491SS*.G310 helixtrans-104.810.7178.6-66.5-74.6000113.6
55R46.3Very low46.9Very low99 Ų9993.2 Ų93.237%0.37448%0.476SS..SBendtrans-87.9136.6177.8-69.3-172.8-173.2-156.2-8.6110.7
56M42.6Very low48.8Very low129 Ų12992.9 Ų92.964%0.63547%0.468SS*.SBendtrans-53.4158165-70.1-63.8-78.900109.7S58M56-S58 PolarHBondContact O-N 3.1Å; M56-S58 VanDerWaalsContact O-N 3.07Å
57P42.6Very low50.8Low74 Ų7493.4 Ų93.448%0.48147%0.465SS..SBendtrans-48.8124.6-174.219.6-33.2000110.6W59 I60P57-W59 PolarHBondContact O-N 3.11Å; P57-I60 HydrophobicContact CG-CD1 4.21Å; P57-I60 PolarHBondContact O-N 3.46Å; P57-I60 VanDerWaalsContact O-N 3.13Å
58S48.7Very low52.9Low57 Ų5789.5 Ų89.540%0.39945%0.445SS..THydrogen-bonded Turntrans-53.9-19.9-154.348.90000116.8M56 T62M56-S58 PolarHBondContact O-N 3.1Å; M56-S58 VanDerWaalsContact O-N 3.07Å; S58-T62 PolarHBondContact O-OG1 3.42Å
59W47Very low55Low84 Ų8488.3 Ų88.332%0.31844%0.439SS..THydrogen-bonded Turntrans-76.2-23.3-177.864.2-67.3000114.4P57 V141P57-W59 PolarHBondContact O-N 3.11Å; W59-V141 HydrophobicContact CE3-CG1 4.32Å; W59-V141 HydrophobicContact CZ3-CG1 4.48Å
60I42.2Very low57.1Low92 Ų9286 Ų8647%0.47243%0.426SS..THydrogen-bonded Turntrans-79.5-22.3-178.5-59.2175.8000111.9P57P57-I60 HydrophobicContact CG-CD1 4.21Å; P57-I60 PolarHBondContact O-N 3.46Å; P57-I60 VanDerWaalsContact O-N 3.13Å
61E39.8Very low59Low103 Ų10387.3 Ų87.348%0.48144%0.436SS..THydrogen-bonded Turntrans-120.2-12.2-164.6-156.9174.2-175.200115.1
62T42.3Very low61.3Low18 Ų1890.1 Ų90.111%0.1145%0.447CS..SBendtrans-120.58-163.557.50000117.8S58 L64S58-T62 PolarHBondContact O-OG1 3.42Å; T62-L64 WeakPolarHBondContact O-CG 3.19Å; T62-L64 PolarHBondContact O-N 2.74Å; T62-L64 WeakPolarHBondContact OG1-CD1 3.48Å; T62-L64 WeakPolarHBondContact OG1-CG 3.48Å
63G49.9Very low63.6Low11 Ų1189.4 Ų89.411%0.11343%0.434CS..  trans67.64.6-179.700000113.7D79G63-D79 WeakPolarHBondContact CA-OD2 3.37Å; G63-D79 PolarHBondContact N-OD2 3Å
64L59.8Low66Low52 Ų5283 Ų8327%0.27240%0.401SS..  trans-83.1133.2-165-70.6179.8000110.6Q26 T62 E66Q26-L64 HydrophobicContact CB-CD2 4.21Å; Q26-L64 HydrophobicContact CG-CD2 4.36Å; T62-L64 WeakPolarHBondContact O-CG 3.19Å; T62-L64 PolarHBondContact O-N 2.74Å; T62-L64 WeakPolarHBondContact OG1-CD1 3.48Å; T62-L64 WeakPolarHBondContact OG1-CG 3.48Å; L64-E66 PolarHBondContact O-N 3.06Å
65S73.3Confident68.3Low27 Ų2774 Ų7419%0.18936%0.363CS..  trans-72.3127.5159.6175.80000109.5N77 Y121S65-N77 CarbonylContact C-O 3.57Å; S65-N77 WeakPolarHBondContact CA-O 3.21Å; S65-Y121 WeakPolarHBondContact CB-OH 3.43Å; S65-Y121 VanDerWaalsContact OG-CE1 3.23Å; S65-Y121 WeakPolarHBondContact OG-CE1 3.4Å; S65-Y121 VanDerWaalsContact OG-CZ 3.26Å; S65-Y121 PolarHBondContact OG-OH 3.21Å
66E83.3Confident70.6Confident53 Ų5369.3 Ų69.325%0.24835%0.345CS..EExtended strand (participates in β ladder)trans-115.1124168.9-170.4179-176.800109.3L64 R68 V76 N77L64-E66 PolarHBondContact O-N 3.06Å; E66-R68 HydrophobicContact CG-CG 4.13Å; E66-R68 IonicContact OE1-CZ 3.57Å; E66-R68 VanDerWaalsContact OE1-CZ 3.23Å; E66-R68 IonicContact OE1-NE 3.56Å; E66-R68 PolarHBondContact OE1-NE 3.24Å; E66-R68 IonicContact OE1-NH2 2.88Å; E66-R68 PolarHBondContact OE1-NH2 2.75Å; E66-R68 IonicContact OE2-CZ 2.84Å; E66-R68 IonicContact OE2-NE 2.95Å; E66-R68 IonicContact OE2-NH2 3.74Å; E66-R68 PolarHBondContact OE2-NH2 2.83Å; E66-V76 CarbonylContact O-C 3.51Å; E66-V76 WeakPolarHBondContact O-CA 3.48Å; E66-N77 PolarHBondContact N-O 3.23Å; E66-N77 PolarHBondContact O-N 2.82Å
67M88.4Confident73.1Confident107 Ų10764.2 Ų64.253%0.52732%0.321SS..EExtended strand (participates in β ladder)trans-105.7123.2171.4175.4172.446.100108.6F74 S75 V76 Y121M67-F74 HydrophobicContact CG-CE2 3.81Å; M67-F74 HydrophobicContact CG-CZ 4.47Å; M67-F74 HydrophobicContact SD-CE2 3.85Å; M67-F74 HydrophobicContact SD-CZ 4.32Å; M67-S75 CarbonylContact C-O 3.53Å; M67-S75 WeakPolarHBondContact CA-O 3.23Å; M67-V76 HydrophobicContact CB-CG2 4.25Å; M67-V76 HydrophobicContact CG-CG2 4.07Å; M67-Y121 HydrophobicContact SD-CD1 4.3Å
68R89Confident75.4Confident94 Ų9460.8 Ų60.836%0.35530%0.298SS..EExtended strand (participates in β ladder)trans-115.6140.3178.5-64.8-168.3178162.910.6111.3E66 S75E66-R68 HydrophobicContact CG-CG 4.13Å; E66-R68 IonicContact OE1-CZ 3.57Å; E66-R68 VanDerWaalsContact OE1-CZ 3.23Å; E66-R68 IonicContact OE1-NE 3.56Å; E66-R68 PolarHBondContact OE1-NE 3.24Å; E66-R68 IonicContact OE1-NH2 2.88Å; E66-R68 PolarHBondContact OE1-NH2 2.75Å; E66-R68 IonicContact OE2-CZ 2.84Å; E66-R68 IonicContact OE2-NE 2.95Å; E66-R68 IonicContact OE2-NH2 3.74Å; E66-R68 PolarHBondContact OE2-NH2 2.83Å; R68-S75 PolarHBondContact N-O 2.77Å; R68-S75 PolarHBondContact O-N 2.97Å
69L89.9Confident77.4Confident97 Ų9759.2 Ų59.251%0.50829%0.285SS..EExtended strand (participates in β ladder)trans-125.288.3177.4-168.373.1000107.8F74 P124 R148L69-F74 HydrophobicContact CD1-CB 4.43Å; L69-F74 HydrophobicContact CD1-CD2 4.06Å; L69-P124 HydrophobicContact CD1-CB 4.28Å; L69-P124 HydrophobicContact CD1-CG 3.73Å; L69-R148 VanDerWaalsContact CD1-CZ 3.44Å; L69-R148 VanDerWaalsContact CD1-NE 3.32Å; L69-R148 VanDerWaalsContact CG-CZ 3.45Å
70E89.4Confident79.6Confident83 Ų8355.3 Ų55.339%0.38827%0.271SS..  trans-87.3169.2176.8-64.8172.5-175.500109.9D72 K73 R148E70-D72 VanDerWaalsContact C-N 3.27Å; E70-D72 PolarHBondContact O-N 3.35Å; E70-K73 WeakPolarHBondContact CA-O 3.41Å; E70-K73 HydrophobicContact CB-CB 4.37Å; E70-K73 WeakPolarHBondContact CB-O 3.47Å; E70-K73 PolarHBondContact N-O 2.82Å; E70-R148 WeakPolarHBondContact O-CD 2.87Å; E70-R148 PolarHBondContact O-NH1 3.41Å
71K87.2Confident81.8Confident176 Ų17655.2 Ų55.277%0.76527%0.267SS*.SBendtrans-57.5-40.5-173.3-69.4-176.7178.5-177.60113.2L150K71-L150 WeakPolarHBondContact O-CD2 2.96Å
72D90.3Very high84.2Confident105 Ų10554.2 Ų54.256%0.56126%0.262SS*.SBendtrans-114.2-8-171.857.8-37.2000112.9E70 P147 R148E70-D72 VanDerWaalsContact C-N 3.27Å; E70-D72 PolarHBondContact O-N 3.35Å; D72-P147 WeakPolarHBondContact O-CA 3.48Å; D72-R148 PolarHBondContact O-N 3.22Å
73K93.1Very high86.5Confident84 Ų8454.8 Ų54.837%0.36526%0.263SS..EExtended strand (participates in β ladder)trans-140.5138.8-172.2-172.6176.8178.3-178.20112.9E70 R148E70-K73 WeakPolarHBondContact CA-O 3.41Å; E70-K73 HydrophobicContact CB-CB 4.37Å; E70-K73 WeakPolarHBondContact CB-O 3.47Å; E70-K73 PolarHBondContact N-O 2.82Å; K73-R148 WeakPolarHBondContact O-CD 3.42Å
74F94.8Very high88.6Confident1 Ų156.1 Ų56.10%0.00427%0.271CS..EExtended strand (participates in β ladder)trans-106.6134165.3166.8-102.7000108.6M67 L69 V76 I97 P124 V127 S145 A146 R148M67-F74 HydrophobicContact CG-CE2 3.81Å; M67-F74 HydrophobicContact CG-CZ 4.47Å; M67-F74 HydrophobicContact SD-CE2 3.85Å; M67-F74 HydrophobicContact SD-CZ 4.32Å; L69-F74 HydrophobicContact CD1-CB 4.43Å; L69-F74 HydrophobicContact CD1-CD2 4.06Å; F74-V76 HydrophobicContact CE1-CG2 4.09Å; F74-V76 HydrophobicContact CE2-CG2 4.21Å; F74-V76 HydrophobicContact CZ-CG2 3.57Å; F74-I97 HydrophobicContact CE1-CD1 3.67Å; F74-I97 HydrophobicContact CZ-CD1 4.14Å; F74-P124 HydrophobicContact CD2-CG 3.78Å; F74-P124 HydrophobicContact CE2-CG 3.99Å; F74-P124 HydrophobicContact CG-CG 4.41Å; F74-V127 HydrophobicContact CB-CG2 3.56Å; F74-V127 HydrophobicContact CD1-CG1 4.39Å; F74-V127 HydrophobicContact CD1-CG2 4.4Å; F74-V127 HydrophobicContact CG-CG2 4.01Å; F74-S145 CarbonylContact O-C 3.55Å; F74-S145 WeakPolarHBondContact O-CA 3.45Å; F74-S145 WeakPolarHBondContact O-CB 3.31Å; F74-A146 PolarHBondContact N-O 2.85Å; F74-A146 PolarHBondContact O-N 2.82Å; F74-R148 HydrophobicContact CB-CG 4.04Å
75S95.3Very high90.2Very high7 Ų758.2 Ų58.25%0.04929%0.287CS..EExtended strand (participates in β ladder)trans-144.5148.9174.759.20000113.2M67 R68 V144M67-S75 CarbonylContact C-O 3.53Å; M67-S75 WeakPolarHBondContact CA-O 3.23Å; R68-S75 PolarHBondContact N-O 2.77Å; R68-S75 PolarHBondContact O-N 2.97Å; S75-V144 CarbonylContact C-O 3.5Å; S75-V144 VanDerWaalsContact CA-O 3.27Å; S75-V144 WeakPolarHBondContact CA-O 3.22Å
76V94.5Very high91.3Very high1 Ų165.5 Ų65.51%0.00632%0.319CS..EExtended strand (participates in β ladder)trans-127.6121.2171.4179.30000107.2E66 M67 F74 Y121 T143 V144E66-V76 CarbonylContact O-C 3.51Å; E66-V76 WeakPolarHBondContact O-CA 3.48Å; M67-V76 HydrophobicContact CB-CG2 4.25Å; M67-V76 HydrophobicContact CG-CG2 4.07Å; F74-V76 HydrophobicContact CE1-CG2 4.09Å; F74-V76 HydrophobicContact CE2-CG2 4.21Å; F74-V76 HydrophobicContact CZ-CG2 3.57Å; V76-Y121 HydrophobicContact CG1-CD1 4.01Å; V76-Y121 HydrophobicContact CG1-CD2 4Å; V76-Y121 HydrophobicContact CG1-CE1 3.74Å; V76-Y121 HydrophobicContact CG1-CE2 3.73Å; V76-Y121 HydrophobicContact CG1-CG 4.14Å; V76-Y121 HydrophobicContact CG2-CD1 4.17Å; V76-Y121 HydrophobicContact CG2-CD2 4.49Å; V76-Y121 HydrophobicContact CG2-CG 4.08Å; V76-T143 CarbonylContact O-C 3.57Å; V76-T143 WeakPolarHBondContact O-CA 3.39Å; V76-V144 HydrophobicContact CB-CB 4.38Å; V76-V144 PolarHBondContact N-O 2.94Å; V76-V144 PolarHBondContact O-N 2.87Å
77N93.4Very high91.9Very high23 Ų2363.9 Ų63.912%0.12331%0.311CS..EExtended strand (participates in β ladder)trans-107.7134.1174.2-63.18.1000107.8S65 E66 V141 L142S65-N77 CarbonylContact C-O 3.57Å; S65-N77 WeakPolarHBondContact CA-O 3.21Å; E66-N77 PolarHBondContact N-O 3.23Å; E66-N77 PolarHBondContact O-N 2.82Å; N77-V141 HydrophobicContact CB-CG1 4.26Å; N77-L142 CarbonylContact C-O 3.53Å; N77-L142 WeakPolarHBondContact CA-O 3.27Å
78L92.9Very high92.3Very high2 Ų259.9 Ų59.91%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-139.3121.5-178.7178.968.5000109.6V80 I99 F117 V141 L142L78-V80 HydrophobicContact CD2-CG1 3.72Å; L78-V80 HydrophobicContact CG-CG1 3.75Å; L78-V80 PolarHBondContact O-N 2.82Å; L78-I99 HydrophobicContact CD2-CD1 4.38Å; L78-I99 HydrophobicContact CD2-CG2 4.02Å; L78-F117 HydrophobicContact CD2-CD2 4.48Å; L78-F117 HydrophobicContact CD2-CE2 3.55Å; L78-F117 HydrophobicContact CD2-CZ 3.73Å; L78-V141 CarbonylContact O-C 3.55Å; L78-L142 HydrophobicContact CB-CB 4.46Å; L78-L142 PolarHBondContact N-O 2.73Å; L78-L142 PolarHBondContact O-N 3.02Å
79D89.4Confident92.8Very high23 Ų2361.3 Ų61.312%0.12330%0.3CS..EExtended strand (participates in β ladder)trans-69.3120.9169.11780.1000109.5G63 K81G63-D79 WeakPolarHBondContact CA-OD2 3.37Å; G63-D79 PolarHBondContact N-OD2 3Å; D79-K81 WeakPolarHBondContact OD1-CB 3.41Å; D79-K81 WeakPolarHBondContact OD1-CD 3.1Å; D79-K81 VanDerWaalsContact OD1-CG 3.26Å; D79-K81 WeakPolarHBondContact OD1-CG 3.17Å; D79-K81 PolarHBondContact OD1-N 2.82Å; D79-K81 IonicContact OD2-NZ 2.72Å; D79-K81 PolarHBondContact OD2-NZ 2.79Å
80V92.7Very high93.1Very high3 Ų359 Ų592%0.01829%0.29CS..  trans-131.326179.5-630000110.9L78 H82 F83 L88 F117 L136 G140 L142L78-V80 HydrophobicContact CD2-CG1 3.72Å; L78-V80 HydrophobicContact CG-CG1 3.75Å; L78-V80 PolarHBondContact O-N 2.82Å; V80-H82 PolarHBondContact O-N 2.85Å; V80-F83 HydrophobicContact CB-CD2 4.32Å; V80-F83 PolarHBondContact O-N 3.47Å; V80-L88 HydrophobicContact CB-CD1 4.17Å; V80-L88 HydrophobicContact CB-CD2 4.11Å; V80-L88 HydrophobicContact CG1-CD2 4.05Å; V80-L88 HydrophobicContact CG2-CD1 3.69Å; V80-L88 HydrophobicContact CG2-CD2 4.49Å; V80-F117 HydrophobicContact CG1-CE1 3.92Å; V80-F117 HydrophobicContact CG1-CZ 3.68Å; V80-L136 HydrophobicContact CG2-CD1 3.52Å; V80-G140 CarbonylContact C-O 3.47Å; V80-G140 WeakPolarHBondContact CA-O 3.29Å; V80-G140 VanDerWaalsContact CG2-O 3.23Å; V80-G140 WeakPolarHBondContact CG2-O 3.48Å; V80-G140 PolarHBondContact N-O 2.99Å; V80-L142 HydrophobicContact CG1-CB 4.22Å; V80-L142 HydrophobicContact CG2-CB 3.8Å
81K89.8Confident93.5Very high90 Ų9060.8 Ų60.839%0.39130%0.297SS..THydrogen-bonded Turntrans-53.8-21.3-175.870.5-165.2174-140.70115.4E30 D79 G140E30-K81 IonicContact OE1-NZ 3.66Å; E30-K81 PolarHBondContact OE1-NZ 3.25Å; D79-K81 WeakPolarHBondContact OD1-CB 3.41Å; D79-K81 WeakPolarHBondContact OD1-CD 3.1Å; D79-K81 VanDerWaalsContact OD1-CG 3.26Å; D79-K81 WeakPolarHBondContact OD1-CG 3.17Å; D79-K81 PolarHBondContact OD1-N 2.82Å; D79-K81 IonicContact OD2-NZ 2.72Å; D79-K81 PolarHBondContact OD2-NZ 2.79Å; K81-G140 PolarHBondContact N-O 2.48Å
82H89.1Confident94Very high81 Ų8155.1 Ų55.138%0.37528%0.277SS..THydrogen-bonded Turntrans-89.34.2178-59-57.2000114.4V80V80-H82 PolarHBondContact O-N 2.85Å
83F92.1Very high94.2Very high30 Ų3055.2 Ų55.213%0.13228%0.276CS..SBendtrans-122.8138.5-178.7-63-91.4000110.3V80 E87 L88 G101 H103 R115 F117V80-F83 HydrophobicContact CB-CD2 4.32Å; V80-F83 PolarHBondContact O-N 3.47Å; F83-E87 WeakPolarHBondContact CA-OE2 3.4Å; F83-E87 HydrophobicContact CB-CB 4.44Å; F83-E87 HydrophobicContact CD1-CB 4.33Å; F83-L88 HydrophobicContact CB-CD1 4.4Å; F83-L88 HydrophobicContact CB-CD2 3.81Å; F83-L88 HydrophobicContact CB-CG 3.99Å; F83-L88 HydrophobicContact CG-CD2 4.15Å; F83-G101 VanDerWaalsContact CE1-C 3.48Å; F83-H103 HydrophobicContact CD1-CB 4.02Å; F83-H103 HydrophobicContact CE1-CB 3.9Å; F83-R115 HydrophobicContact CE1-CB 4.09Å; F83-R115 WeakPolarHBondContact CE1-O 3.45Å; F83-R115 HydrophobicContact CZ-CB 3.71Å; F83-F117 HydrophobicContact CD2-CD1 4.17Å; F83-F117 AromaticContact CD2-CE1 3.8Å; F83-F117 HydrophobicContact CD2-CE1 3.8Å; F83-F117 HydrophobicContact CE1-CD1 4.15Å; F83-F117 HydrophobicContact CE1-CE1 4.35Å; F83-F117 AromaticContact CE2-CD1 3.5Å; F83-F117 HydrophobicContact CE2-CD1 3.5Å; F83-F117 AromaticContact CE2-CE1 3.63Å; F83-F117 HydrophobicContact CE2-CE1 3.63Å; F83-F117 HydrophobicContact CG-CE1 4.26Å; F83-F117 AromaticContact CZ-CD1 3.5Å; F83-F117 HydrophobicContact CZ-CD1 3.5Å; F83-F117 VanDerWaalsContact CZ-CD1 3.5Å; F83-F117 AromaticContact CZ-CE1 3.93Å; F83-F117 HydrophobicContact CZ-CE1 3.93Å
84S92.3Very high94.1Very high39 Ų3954.2 Ų54.227%0.27329%0.29SS..  trans-76.8158.7169.170.40000110.8E86 E87S84-E86 PolarHBondContact O-N 3.47Å; S84-E86 VanDerWaalsContact O-N 3.12Å; S84-E87 PolarHBondContact N-OE2 3.45Å; S84-E87 WeakPolarHBondContact O-CB 3.2Å; S84-E87 PolarHBondContact O-N 2.89Å; S84-E87 VanDerWaalsContact OG-CG 3.29Å; S84-E87 WeakPolarHBondContact OG-CG 3.35Å; S84-E87 PolarHBondContact OG-OE1 2.72Å
85P94.9Very high94Very high96 Ų9657.3 Ų57.362%0.62331%0.307SS*.G310 helixtrans-55.8-31.5178.2-22.330.3000113.5E87 L88 L136P85-E87 VanDerWaalsContact C-N 3.31Å; P85-L88 PolarHBondContact O-N 2.75Å; P85-L136 HydrophobicContact CB-CD2 4.04Å; P85-L136 HydrophobicContact CG-CD2 3.78Å
86E96.2Very high94.1Very high181 Ų18160.9 Ų60.985%0.84632%0.324SS*.G310 helixtrans-73.3-23.4-179.8-59.5-179.2-175.500113.1S84 L88S84-E86 PolarHBondContact O-N 3.47Å; S84-E86 VanDerWaalsContact O-N 3.12Å; E86-L88 VanDerWaalsContact C-N 3.32Å
87E95.8Very high94.2Very high19 Ų1960.8 Ų60.89%0.08932%0.323CS..G310 helixtrans-84.5-10.1178.9-70.3158.9-158.700112.4F83 S84 P85 G101 K102 H103 R106F83-E87 WeakPolarHBondContact CA-OE2 3.4Å; F83-E87 HydrophobicContact CB-CB 4.44Å; F83-E87 HydrophobicContact CD1-CB 4.33Å; S84-E87 PolarHBondContact N-OE2 3.45Å; S84-E87 WeakPolarHBondContact O-CB 3.2Å; S84-E87 PolarHBondContact O-N 2.89Å; S84-E87 VanDerWaalsContact OG-CG 3.29Å; S84-E87 WeakPolarHBondContact OG-CG 3.35Å; S84-E87 PolarHBondContact OG-OE1 2.72Å; P85-E87 VanDerWaalsContact C-N 3.31Å; E87-G101 WeakPolarHBondContact O-CA 3.49Å; E87-K102 WeakPolarHBondContact CB-O 3.36Å; E87-K102 WeakPolarHBondContact CG-O 3.23Å; E87-K102 PolarHBondContact O-N 2.77Å; E87-H103 VanDerWaalsContact CD-ND1 3.33Å; E87-H103 IonicContact OE1-CE1 3.9Å; E87-H103 IonicContact OE1-ND1 2.74Å; E87-H103 PolarHBondContact OE1-ND1 3.2Å; E87-H103 IonicContact OE2-CE1 3.91Å; E87-H103 IonicContact OE2-CG 3.46Å; E87-H103 IonicContact OE2-ND1 3.23Å; E87-H103 PolarHBondContact OE2-ND1 2.88Å; E87-R106 IonicContact OE1-CZ 3.14Å; E87-R106 IonicContact OE1-NH1 2.73Å; E87-R106 PolarHBondContact OE1-NH1 2.88Å; E87-R106 IonicContact OE1-NH2 2.81Å; E87-R106 PolarHBondContact OE1-NH2 2.81Å
88L97.1Very high94.4Very high23 Ų2360.9 Ų60.912%0.1232%0.324CS..EExtended strand (participates in β ladder)trans-100.3137.3-177-64.6170.4000111.5V80 F83 P85 E86 H100 F117 L136V80-L88 HydrophobicContact CB-CD1 4.17Å; V80-L88 HydrophobicContact CB-CD2 4.11Å; V80-L88 HydrophobicContact CG1-CD2 4.05Å; V80-L88 HydrophobicContact CG2-CD1 3.69Å; V80-L88 HydrophobicContact CG2-CD2 4.49Å; F83-L88 HydrophobicContact CB-CD1 4.4Å; F83-L88 HydrophobicContact CB-CD2 3.81Å; F83-L88 HydrophobicContact CB-CG 3.99Å; F83-L88 HydrophobicContact CG-CD2 4.15Å; P85-L88 PolarHBondContact O-N 2.75Å; E86-L88 VanDerWaalsContact C-N 3.32Å; L88-H100 CarbonylContact C-O 3.56Å; L88-H100 WeakPolarHBondContact CA-O 3.49Å; L88-F117 HydrophobicContact CD2-CE1 3.95Å; L88-F117 HydrophobicContact CD2-CZ 3.88Å; L88-L136 HydrophobicContact CD1-CD1 4.44Å; L88-L136 HydrophobicContact CD1-CD2 4.04Å
89K97.9Very high94.6Very high123 Ų12360.8 Ų60.854%0.53532%0.323SS..EExtended strand (participates in β ladder)trans-134.7121.7176.9-68.4176.6-176.2168.30109.5I99 H100K89-I99 WeakPolarHBondContact O-CA 3.41Å; K89-H100 HydrophobicContact CB-CB 4.46Å; K89-H100 PolarHBondContact N-O 3.46Å; K89-H100 PolarHBondContact O-N 2.74Å
90V97.7Very high94.9Very high49 Ų4961.9 Ų61.930%0.29733%0.328SS..EExtended strand (participates in β ladder)trans-109.1128173.5-176.30000108.4I97 I99 L142 V144V90-I97 HydrophobicContact CG1-CG2 4.2Å; V90-I99 HydrophobicContact CG2-CG2 4.35Å; V90-L142 HydrophobicContact CG2-CD1 4.42Å; V90-L142 HydrophobicContact CG2-CD2 3.96Å; V90-V144 HydrophobicContact CG1-CG2 4.31Å
91K97.9Very high95.1Very high121 Ų12161.8 Ų61.853%0.52633%0.327SS..EExtended strand (participates in β ladder)trans-128.9141.5177.1-63.6-179.5-177.91770110L93 I97 D98K91-L93 HydrophobicContact CB-CG 4.49Å; K91-I97 CarbonylContact O-C 3.59Å; K91-I97 WeakPolarHBondContact O-CA 3.27Å; K91-D98 HydrophobicContact CB-CB 4.41Å; K91-D98 PolarHBondContact N-O 2.76Å; K91-D98 PolarHBondContact O-N 2.8Å
92V97Very high95.4Very high56 Ų5661.2 Ų61.234%0.33932%0.324SS..EExtended strand (participates in β ladder)trans-109.5119.9169.8178.30000107.4M96 I97 I123 P129 I132V92-M96 WeakPolarHBondContact CA-O 3.34Å; V92-I97 HydrophobicContact CG2-CG1 4.35Å; V92-I123 HydrophobicContact CG1-CD1 3.82Å; V92-P129 HydrophobicContact CG1-CB 3.88Å; V92-I132 HydrophobicContact CG1-CD1 4.17Å; V92-I132 HydrophobicContact CG2-CB 4.36Å; V92-I132 HydrophobicContact CG2-CD1 4.08Å; V92-I132 HydrophobicContact CG2-CG2 4.17Å
93L93.7Very high95.6Very high107 Ų10758.6 Ų58.656%0.5631%0.312SS*.EExtended strand (participates in β ladder)trans-129.7101.4-177.5-65.1174.1000108.6K91 D95 M96K91-L93 HydrophobicContact CB-CG 4.49Å; L93-D95 PolarHBondContact O-N 2.86Å; L93-D95 VanDerWaalsContact O-N 3.14Å; L93-M96 PolarHBondContact N-O 3.18Å; L93-M96 PolarHBondContact O-N 2.97Å
94G91.5Very high95.7Very high64 Ų6462.2 Ų62.266%0.6633%0.33SS*.THydrogen-bonded Turntrans62-113.9-177.800000111.8
95D93.4Very high95.7Very high66 Ų6666.9 Ų66.935%0.35335%0.347SS..THydrogen-bonded Turntrans-99.818.1178.670.7-21.7000113.2L93 R122 I123L93-D95 PolarHBondContact O-N 2.86Å; L93-D95 VanDerWaalsContact O-N 3.14Å; D95-R122 IonicContact OD2-CZ 3.13Å; D95-R122 IonicContact OD2-NE 3.94Å; D95-R122 IonicContact OD2-NH1 3.3Å; D95-R122 PolarHBondContact OD2-NH1 3.45Å; D95-R122 IonicContact OD2-NH2 2.73Å; D95-R122 PolarHBondContact OD2-NH2 2.93Å; D95-I123 WeakPolarHBondContact O-CB 3.48Å; D95-I123 PolarHBondContact O-N 3.2Å
96M96Very high95.3Very high81 Ų8168.3 Ų68.340%0.39934%0.34SS..EExtended strand (participates in β ladder)trans-128.8142.4179.4-70.3-169.4-7300113.3V92 L93 Y121V92-M96 WeakPolarHBondContact CA-O 3.34Å; L93-M96 PolarHBondContact N-O 3.18Å; L93-M96 PolarHBondContact O-N 2.97Å; M96-Y121 CarbonylContact C-O 3.56Å; M96-Y121 WeakPolarHBondContact CA-O 3.44Å
97I97.1Very high94.8Very high0 Ų066.9 Ų66.90%033%0.334CS..EExtended strand (participates in β ladder)trans-99.1123.4164.4-61.7157.6000107.2F74 V90 K91 V92 I99 K120 Y121 I123 I132 V144F74-I97 HydrophobicContact CE1-CD1 3.67Å; F74-I97 HydrophobicContact CZ-CD1 4.14Å; V90-I97 HydrophobicContact CG1-CG2 4.2Å; K91-I97 CarbonylContact O-C 3.59Å; K91-I97 WeakPolarHBondContact O-CA 3.27Å; V92-I97 HydrophobicContact CG2-CG1 4.35Å; I97-I99 HydrophobicContact CG2-CD1 4.33Å; I97-I99 HydrophobicContact CG2-CG1 3.89Å; I97-K120 CarbonylContact O-C 3.52Å; I97-K120 VanDerWaalsContact O-CA 3.22Å; I97-K120 WeakPolarHBondContact O-CA 3.35Å; I97-Y121 PolarHBondContact N-O 3.39Å; I97-Y121 PolarHBondContact O-N 2.98Å; I97-I123 HydrophobicContact CD1-CG1 3.97Å; I97-I123 HydrophobicContact CG1-CD1 3.97Å; I97-I123 HydrophobicContact CG1-CG1 3.75Å; I97-I132 HydrophobicContact CD1-CD1 4.07Å; I97-I132 HydrophobicContact CG1-CD1 4.07Å; I97-V144 HydrophobicContact CD1-CG1 3.98Å; I97-V144 HydrophobicContact CG2-CG1 4.35Å
98D97.1Very high94Very high25 Ų2568.7 Ų68.713%0.13434%0.344CS..EExtended strand (participates in β ladder)trans-110.4116.4175.2-169.7-15.2000108.8K91 N118 K120K91-D98 HydrophobicContact CB-CB 4.41Å; K91-D98 PolarHBondContact N-O 2.76Å; K91-D98 PolarHBondContact O-N 2.8Å; D98-N118 PolarHBondContact OD1-ND2 2.79Å; D98-N118 PolarHBondContact OD1-OD1 3.42Å; D98-K120 HydrophobicContact CB-CG 4.34Å; D98-K120 WeakPolarHBondContact OD2-CE 3.48Å; D98-K120 IonicContact OD2-NZ 2.68Å
99I97Very high93.1Very high0 Ų076.3 Ų76.30%038%0.379CS..EExtended strand (participates in β ladder)trans-111117.2177.8-50.2-174.7000107.9L78 K89 V90 I97 F117 N118 R119 Y121 L142 V144L78-I99 HydrophobicContact CD2-CD1 4.38Å; L78-I99 HydrophobicContact CD2-CG2 4.02Å; K89-I99 WeakPolarHBondContact O-CA 3.41Å; V90-I99 HydrophobicContact CG2-CG2 4.35Å; I97-I99 HydrophobicContact CG2-CD1 4.33Å; I97-I99 HydrophobicContact CG2-CG1 3.89Å; I99-F117 HydrophobicContact CB-CE2 4.31Å; I99-F117 HydrophobicContact CG2-CE2 3.73Å; I99-F117 HydrophobicContact CG2-CZ 3.99Å; I99-N118 CarbonylContact O-C 3.54Å; I99-N118 WeakPolarHBondContact O-CA 3.23Å; I99-R119 PolarHBondContact N-O 2.85Å; I99-R119 PolarHBondContact O-N 3.4Å; I99-Y121 HydrophobicContact CD1-CD2 4.18Å; I99-Y121 HydrophobicContact CD1-CE2 3.75Å; I99-Y121 HydrophobicContact CG1-CD2 4.47Å; I99-Y121 HydrophobicContact CG1-CE2 4.24Å; I99-L142 HydrophobicContact CD1-CD2 4.04Å; I99-L142 HydrophobicContact CG2-CD2 3.55Å; I99-V144 HydrophobicContact CD1-CG2 3.88Å
100H97.2Very high92.2Very high46 Ų4678.4 Ų78.421%0.21339%0.39CS..EExtended strand (participates in β ladder)trans-118.6127.4179.1-175.2-121.9000109.6L88 K89 E116 F117L88-H100 CarbonylContact C-O 3.56Å; L88-H100 WeakPolarHBondContact CA-O 3.49Å; K89-H100 HydrophobicContact CB-CB 4.46Å; K89-H100 PolarHBondContact N-O 3.46Å; K89-H100 PolarHBondContact O-N 2.74Å; H100-E116 IonicContact CD2-OE1 2.94Å; H100-E116 IonicContact CE1-OE1 2.67Å; H100-E116 PolarHBondContact CE1-OE1 3.36Å; H100-E116 IonicContact NE2-OE1 3.43Å; H100-E116 PolarHBondContact NE2-OE1 3.43Å; H100-F117 WeakPolarHBondContact CA-O 3.22Å; H100-F117 PolarHBondContact CD2-O 2.98Å
101G96.6Very high91.6Very high0 Ų077.4 Ų77.40%039%0.39CS..EExtended strand (participates in β ladder)trans-122.3126.6171.300000109.2F83 E87 E116 F117F83-G101 VanDerWaalsContact CE1-C 3.48Å; E87-G101 WeakPolarHBondContact O-CA 3.49Å; G101-E116 CarbonylContact O-C 3.57Å; G101-E116 VanDerWaalsContact O-CA 3.29Å; G101-E116 WeakPolarHBondContact O-CA 3.4Å; G101-F117 PolarHBondContact N-O 2.85Å; G101-F117 PolarHBondContact O-N 2.67Å
102K96.3Very high91Very high78 Ų7878.1 Ų78.134%0.33939%0.394SS..EExtended strand (participates in β ladder)trans-133.9109.9179.7-168-175.2-172.2-1490111E87 E104 E116E87-K102 WeakPolarHBondContact CB-O 3.36Å; E87-K102 WeakPolarHBondContact CG-O 3.23Å; E87-K102 PolarHBondContact O-N 2.77Å; K102-E104 WeakPolarHBondContact CD-OE1 3.46Å; K102-E104 WeakPolarHBondContact CE-OE1 3.12Å; K102-E104 IonicContact NZ-OE1 2.89Å; K102-E104 PolarHBondContact NZ-OE1 2.85Å; K102-E104 IonicContact NZ-OE2 3.36Å; K102-E104 PolarHBondContact NZ-OE2 3.01Å; K102-E116 HydrophobicContact CB-CG 4.28Å; K102-E116 HydrophobicContact CG-CB 4.39Å; K102-E116 HydrophobicContact CG-CG 4.08Å
103H93.1Very high90.5Very high26 Ų2677.5 Ų77.512%0.1239%0.388CS..EExtended strand (participates in β ladder)trans-99.1109.3170.8-169.689000108.2F83 E87 R106 A114 R115F83-H103 HydrophobicContact CD1-CB 4.02Å; F83-H103 HydrophobicContact CE1-CB 3.9Å; E87-H103 VanDerWaalsContact CD-ND1 3.33Å; E87-H103 IonicContact OE1-CE1 3.9Å; E87-H103 IonicContact OE1-ND1 2.74Å; E87-H103 PolarHBondContact OE1-ND1 3.2Å; E87-H103 IonicContact OE2-CE1 3.91Å; E87-H103 IonicContact OE2-CG 3.46Å; E87-H103 IonicContact OE2-ND1 3.23Å; E87-H103 PolarHBondContact OE2-ND1 2.88Å; H103-R106 PolarHBondContact CE1-NH1 3.49Å; H103-A114 WeakPolarHBondContact O-CA 3.2Å; H103-R115 WeakPolarHBondContact CA-O 3.36Å; H103-R115 HydrophobicContact CB-CB 4.14Å; H103-R115 WeakPolarHBondContact CB-O 3.33Å; H103-R115 PolarHBondContact N-O 2.77Å; H103-R115 PolarHBondContact O-N 2.8Å
104E93.1Very high90.4Very high107 Ų10775.5 Ų75.550%0.539%0.386SS..EExtended strand (participates in β ladder)trans-62.2162174-60.8-62.9164.300110.9K102 R106K102-E104 WeakPolarHBondContact CD-OE1 3.46Å; K102-E104 WeakPolarHBondContact CE-OE1 3.12Å; K102-E104 IonicContact NZ-OE1 2.89Å; K102-E104 PolarHBondContact NZ-OE1 2.85Å; K102-E104 IonicContact NZ-OE2 3.36Å; K102-E104 PolarHBondContact NZ-OE2 3.01Å; E104-R106 PolarHBondContact O-N 2.83Å; E104-R106 VanDerWaalsContact O-N 3.09Å
105E92.3Very high90.3Very high137 Ų13776.1 Ų76.164%0.6437%0.369SS*.EExtended strand (participates in β ladder)trans-57.1116.8177.5-172.1174.1-146.600110.9F112 I113 A114E105-F112 HydrophobicContact CG-CB 3.8Å; E105-F112 HydrophobicContact CG-CD1 4.24Å; E105-F112 HydrophobicContact CG-CG 4.4Å; E105-F112 WeakPolarHBondContact OE1-CB 3.09Å; E105-I113 WeakPolarHBondContact CA-O 3.49Å; E105-A114 HydrophobicContact CB-CB 4.19Å
106R87.2Confident90.3Very high125 Ų12578.9 Ų78.947%0.47238%0.38SS..EExtended strand (participates in β ladder)trans-129.2148.3174.6-68.1-173.3-172.7146.511.7110.2E87 H103 E104 D108 F112 I113E87-R106 IonicContact OE1-CZ 3.14Å; E87-R106 IonicContact OE1-NH1 2.73Å; E87-R106 PolarHBondContact OE1-NH1 2.88Å; E87-R106 IonicContact OE1-NH2 2.81Å; E87-R106 PolarHBondContact OE1-NH2 2.81Å; H103-R106 PolarHBondContact CE1-NH1 3.49Å; E104-R106 PolarHBondContact O-N 2.83Å; E104-R106 VanDerWaalsContact O-N 3.09Å; R106-D108 PolarHBondContact O-N 3.3Å; R106-F112 CarbonylContact O-C 3.52Å; R106-F112 WeakPolarHBondContact O-CA 3.5Å; R106-I113 PolarHBondContact N-O 2.76Å; R106-I113 PolarHBondContact O-N 2.88Å
107Q86.4Confident90.2Very high152 Ų15276.8 Ų76.871%0.7137%0.368SS*.EExtended strand (participates in β ladder)trans-68.6128.8172.7-165.7175.5-0.700109.3G111 F112Q107-G111 CarbonylContact C-O 3.57Å; Q107-G111 VanDerWaalsContact CA-O 3.27Å; Q107-G111 WeakPolarHBondContact CA-O 3.29Å; Q107-G111 WeakPolarHBondContact CG-O 3.48Å; Q107-F112 HydrophobicContact CB-CD1 4.07Å; Q107-F112 HydrophobicContact CB-CE1 3.88Å; Q107-F112 HydrophobicContact CG-CE1 4.21Å; Q107-F112 HydrophobicContact CG-CZ 4.41Å
108D78.8Confident90Very high57 Ų5780.7 Ų80.731%0.30539%0.389SS..EExtended strand (participates in β ladder)trans-116.5-173.1173.483.4-22.7000110.4R106 H110 G111 I113R106-D108 PolarHBondContact O-N 3.3Å; D108-H110 PolarHBondContact O-N 3.12Å; D108-H110 VanDerWaalsContact O-N 3.16Å; D108-H110 PolarHBondContact OD1-N 2.97Å; D108-G111 PolarHBondContact N-O 2.82Å; D108-G111 VanDerWaalsContact OD1-C 3.24Å; D108-G111 WeakPolarHBondContact OD1-CA 3.33Å; D108-G111 PolarHBondContact OD1-N 2.58Å; D108-G111 VanDerWaalsContact OD1-O 3.13Å; D108-I113 HydrophobicContact CB-CG1 4.49Å; D108-I113 WeakPolarHBondContact OD2-CD1 3.42Å; D108-I113 WeakPolarHBondContact OD2-CG1 3.23Å
109E78.1Confident89.9Confident182 Ų18282.3 Ų82.385%0.8539%0.394SS*.THydrogen-bonded Turntrans-61.2-22.6-178.8-66.7-178.616300113.6
110H78.2Confident89.7Confident167 Ų16788.3 Ų88.377%0.77342%0.42SS*.THydrogen-bonded Turntrans-121.31.8-170-57.891.6000113.9D108D108-H110 PolarHBondContact O-N 3.12Å; D108-H110 VanDerWaalsContact O-N 3.16Å; D108-H110 PolarHBondContact OD1-N 2.97Å
111G85.3Confident89.6Confident29 Ų2987.1 Ų87.130%0.29941%0.413SS..EExtended strand (participates in β ladder)trans151.6-133.8-178.300000112.4Q107 D108Q107-G111 CarbonylContact C-O 3.57Å; Q107-G111 VanDerWaalsContact CA-O 3.27Å; Q107-G111 WeakPolarHBondContact CA-O 3.29Å; Q107-G111 WeakPolarHBondContact CG-O 3.48Å; D108-G111 PolarHBondContact N-O 2.82Å; D108-G111 VanDerWaalsContact OD1-C 3.24Å; D108-G111 WeakPolarHBondContact OD1-CA 3.33Å; D108-G111 PolarHBondContact OD1-N 2.58Å; D108-G111 VanDerWaalsContact OD1-O 3.13Å
112F86.1Confident89.5Confident136 Ų13695.5 Ų95.560%0.59645%0.445SS*.EExtended strand (participates in β ladder)trans-119.6136.3175.7-65.3-90.9000108.9E105 R106 Q107E105-F112 HydrophobicContact CG-CB 3.8Å; E105-F112 HydrophobicContact CG-CD1 4.24Å; E105-F112 HydrophobicContact CG-CG 4.4Å; E105-F112 WeakPolarHBondContact OE1-CB 3.09Å; R106-F112 CarbonylContact O-C 3.52Å; R106-F112 WeakPolarHBondContact O-CA 3.5Å; Q107-F112 HydrophobicContact CB-CD1 4.07Å; Q107-F112 HydrophobicContact CB-CE1 3.88Å; Q107-F112 HydrophobicContact CG-CE1 4.21Å; Q107-F112 HydrophobicContact CG-CZ 4.41Å
113I86.3Confident89.4Confident43 Ų4392.1 Ų92.122%0.22143%0.431CS..EExtended strand (participates in β ladder)trans-129.8133.3176.4-60.4-170.7000110.7E105 R106 D108 R115E105-I113 WeakPolarHBondContact CA-O 3.49Å; R106-I113 PolarHBondContact N-O 2.76Å; R106-I113 PolarHBondContact O-N 2.88Å; D108-I113 HydrophobicContact CB-CG1 4.49Å; D108-I113 WeakPolarHBondContact OD2-CD1 3.42Å; D108-I113 WeakPolarHBondContact OD2-CG1 3.23Å; I113-R115 HydrophobicContact CG2-CG 3.83Å; I113-R115 VanDerWaalsContact CG2-CZ 3.43Å; I113-R115 VanDerWaalsContact CG2-NH1 3.27Å
114A90.8Very high89.5Confident64 Ų6492.3 Ų92.353%0.52943%0.434SS..EExtended strand (participates in β ladder)trans-118.1144.6161.900000109.1H103 E105H103-A114 WeakPolarHBondContact O-CA 3.2Å; E105-A114 HydrophobicContact CB-CB 4.19Å
115R90.2Very high89.4Confident77 Ų7792.7 Ų92.729%0.29146%0.455SS..EExtended strand (participates in β ladder)trans-137.7137.9176.6-61.9-178.4177.987.50.6109.5F83 H103 I113F83-R115 HydrophobicContact CE1-CB 4.09Å; F83-R115 WeakPolarHBondContact CE1-O 3.45Å; F83-R115 HydrophobicContact CZ-CB 3.71Å; H103-R115 WeakPolarHBondContact CA-O 3.36Å; H103-R115 HydrophobicContact CB-CB 4.14Å; H103-R115 WeakPolarHBondContact CB-O 3.33Å; H103-R115 PolarHBondContact N-O 2.77Å; H103-R115 PolarHBondContact O-N 2.8Å; I113-R115 HydrophobicContact CG2-CG 3.83Å; I113-R115 VanDerWaalsContact CG2-CZ 3.43Å; I113-R115 VanDerWaalsContact CG2-NH1 3.27Å
116E94Very high89.3Confident124 Ų12487.9 Ų87.958%0.57943%0.434SS*.EExtended strand (participates in β ladder)trans-143.4137.4174.7-173.7170.317900110.3H100 G101 K102H100-E116 IonicContact CD2-OE1 2.94Å; H100-E116 IonicContact CE1-OE1 2.67Å; H100-E116 PolarHBondContact CE1-OE1 3.36Å; H100-E116 IonicContact NE2-OE1 3.43Å; H100-E116 PolarHBondContact NE2-OE1 3.43Å; G101-E116 CarbonylContact O-C 3.57Å; G101-E116 VanDerWaalsContact O-CA 3.29Å; G101-E116 WeakPolarHBondContact O-CA 3.4Å; K102-E116 HydrophobicContact CB-CG 4.28Å; K102-E116 HydrophobicContact CG-CB 4.39Å; K102-E116 HydrophobicContact CG-CG 4.08Å
117F93.3Very high89.6Confident37 Ų3782.2 Ų82.216%0.16241%0.414CS..EExtended strand (participates in β ladder)trans-137.4149.7169.978.2-94.6000111.3L78 V80 F83 L88 I99 H100 G101 R119L78-F117 HydrophobicContact CD2-CD2 4.48Å; L78-F117 HydrophobicContact CD2-CE2 3.55Å; L78-F117 HydrophobicContact CD2-CZ 3.73Å; V80-F117 HydrophobicContact CG1-CE1 3.92Å; V80-F117 HydrophobicContact CG1-CZ 3.68Å; F83-F117 HydrophobicContact CD2-CD1 4.17Å; F83-F117 AromaticContact CD2-CE1 3.8Å; F83-F117 HydrophobicContact CD2-CE1 3.8Å; F83-F117 HydrophobicContact CE1-CD1 4.15Å; F83-F117 HydrophobicContact CE1-CE1 4.35Å; F83-F117 AromaticContact CE2-CD1 3.5Å; F83-F117 HydrophobicContact CE2-CD1 3.5Å; F83-F117 AromaticContact CE2-CE1 3.63Å; F83-F117 HydrophobicContact CE2-CE1 3.63Å; F83-F117 HydrophobicContact CG-CE1 4.26Å; F83-F117 AromaticContact CZ-CD1 3.5Å; F83-F117 HydrophobicContact CZ-CD1 3.5Å; F83-F117 VanDerWaalsContact CZ-CD1 3.5Å; F83-F117 AromaticContact CZ-CE1 3.93Å; F83-F117 HydrophobicContact CZ-CE1 3.93Å; L88-F117 HydrophobicContact CD2-CE1 3.95Å; L88-F117 HydrophobicContact CD2-CZ 3.88Å; I99-F117 HydrophobicContact CB-CE2 4.31Å; I99-F117 HydrophobicContact CG2-CE2 3.73Å; I99-F117 HydrophobicContact CG2-CZ 3.99Å; H100-F117 WeakPolarHBondContact CA-O 3.22Å; H100-F117 PolarHBondContact CD2-O 2.98Å; G101-F117 PolarHBondContact N-O 2.85Å; G101-F117 PolarHBondContact O-N 2.67Å; F117-R119 HydrophobicContact CD2-CB 4.48Å; F117-R119 HydrophobicContact CD2-CG 4.06Å
118N93.7Very high90Very high83 Ų8377 Ų7744%0.44439%0.39SS..EExtended strand (participates in β ladder)trans-130.4122.8165.9-174.5-75.4000108.4D98 I99 K120D98-N118 PolarHBondContact OD1-ND2 2.79Å; D98-N118 PolarHBondContact OD1-OD1 3.42Å; I99-N118 CarbonylContact O-C 3.54Å; I99-N118 WeakPolarHBondContact O-CA 3.23Å; N118-K120 VanDerWaalsContact OD1-CE 3.31Å; N118-K120 WeakPolarHBondContact OD1-CE 3.43Å
119R93Very high90.7Very high59 Ų5976.7 Ų76.722%0.22339%0.392CS..EExtended strand (participates in β ladder)trans-126.3130.7176.3-70.8-169.5-170.4-154.47.8110.2I99 F117 Y121I99-R119 PolarHBondContact N-O 2.85Å; I99-R119 PolarHBondContact O-N 3.4Å; F117-R119 HydrophobicContact CD2-CB 4.48Å; F117-R119 HydrophobicContact CD2-CG 4.06Å; R119-Y121 HydrophobicContact CB-CE2 3.86Å; R119-Y121 WeakPolarHBondContact CD-OH 3.26Å
120K94.4Very high91.5Very high125 Ų12575.7 Ų75.754%0.54339%0.391SS..EExtended strand (participates in β ladder)trans-115.8131.8179.7-63.3-178.8-179.4-175.80110.7I97 D98 N118I97-K120 CarbonylContact O-C 3.52Å; I97-K120 VanDerWaalsContact O-CA 3.22Å; I97-K120 WeakPolarHBondContact O-CA 3.35Å; D98-K120 HydrophobicContact CB-CG 4.34Å; D98-K120 WeakPolarHBondContact OD2-CE 3.48Å; D98-K120 IonicContact OD2-NZ 2.68Å; N118-K120 VanDerWaalsContact OD1-CE 3.31Å; N118-K120 WeakPolarHBondContact OD1-CE 3.43Å
121Y94.4Very high92.3Very high21 Ų2170.2 Ų70.28%0.08237%0.37CS..EExtended strand (participates in β ladder)trans-119.8134.2176.4-55-86.2000109.4S65 M67 V76 M96 I97 I99 R119S65-Y121 WeakPolarHBondContact CB-OH 3.43Å; S65-Y121 VanDerWaalsContact OG-CE1 3.23Å; S65-Y121 WeakPolarHBondContact OG-CE1 3.4Å; S65-Y121 VanDerWaalsContact OG-CZ 3.26Å; S65-Y121 PolarHBondContact OG-OH 3.21Å; M67-Y121 HydrophobicContact SD-CD1 4.3Å; V76-Y121 HydrophobicContact CG1-CD1 4.01Å; V76-Y121 HydrophobicContact CG1-CD2 4Å; V76-Y121 HydrophobicContact CG1-CE1 3.74Å; V76-Y121 HydrophobicContact CG1-CE2 3.73Å; V76-Y121 HydrophobicContact CG1-CG 4.14Å; V76-Y121 HydrophobicContact CG2-CD1 4.17Å; V76-Y121 HydrophobicContact CG2-CD2 4.49Å; V76-Y121 HydrophobicContact CG2-CG 4.08Å; M96-Y121 CarbonylContact C-O 3.56Å; M96-Y121 WeakPolarHBondContact CA-O 3.44Å; I97-Y121 PolarHBondContact N-O 3.39Å; I97-Y121 PolarHBondContact O-N 2.98Å; I99-Y121 HydrophobicContact CD1-CD2 4.18Å; I99-Y121 HydrophobicContact CD1-CE2 3.75Å; I99-Y121 HydrophobicContact CG1-CD2 4.47Å; I99-Y121 HydrophobicContact CG1-CE2 4.24Å; R119-Y121 HydrophobicContact CB-CE2 3.86Å; R119-Y121 WeakPolarHBondContact CD-OH 3.26Å
122R94.8Very high92.8Very high176 Ų17670 Ų7066%0.66436%0.362SS*.EExtended strand (participates in β ladder)trans-78129.2173.3-169.1178.3-177.784.716109D95D95-R122 IonicContact OD2-CZ 3.13Å; D95-R122 IonicContact OD2-NE 3.94Å; D95-R122 IonicContact OD2-NH1 3.3Å; D95-R122 PolarHBondContact OD2-NH1 3.45Å; D95-R122 IonicContact OD2-NH2 2.73Å; D95-R122 PolarHBondContact OD2-NH2 2.93Å
123I94.9Very high93.4Very high8 Ų867.8 Ų67.84%0.04136%0.359CS..PPolyproline II helixtrans-76.8125.9175.4-57.5167.5000107.6V92 D95 I97 V127 P129 I132V92-I123 HydrophobicContact CG1-CD1 3.82Å; D95-I123 WeakPolarHBondContact O-CB 3.48Å; D95-I123 PolarHBondContact O-N 3.2Å; I97-I123 HydrophobicContact CD1-CG1 3.97Å; I97-I123 HydrophobicContact CG1-CD1 3.97Å; I97-I123 HydrophobicContact CG1-CG1 3.75Å; I123-V127 HydrophobicContact CG2-CB 3.72Å; I123-V127 HydrophobicContact CG2-CG1 3.76Å; I123-P129 HydrophobicContact CD1-CB 4.4Å; I123-P129 HydrophobicContact CD1-CG 4.46Å; I123-I132 HydrophobicContact CD1-CD1 3.54Å; I123-I132 HydrophobicContact CG1-CD1 4.01Å; I123-I132 HydrophobicContact CG2-CD1 4.35Å
124P93.3Very high93.9Very high30 Ų3069.1 Ų69.120%0.19537%0.372CS..PPolyproline II helixtrans-58.5147.9172.3-23.934.3000112L69 F74 D126 V127L69-P124 HydrophobicContact CD1-CB 4.28Å; L69-P124 HydrophobicContact CD1-CG 3.73Å; F74-P124 HydrophobicContact CD2-CG 3.78Å; F74-P124 HydrophobicContact CE2-CG 3.99Å; F74-P124 HydrophobicContact CG-CG 4.41Å; P124-D126 WeakPolarHBondContact CB-OD1 3.35Å; P124-D126 PolarHBondContact O-N 3.07Å; P124-D126 VanDerWaalsContact O-N 3.11Å; P124-V127 HydrophobicContact CB-CG2 4.07Å; P124-V127 HydrophobicContact CG-CG2 4.13Å; P124-V127 PolarHBondContact O-N 2.94Å
125A91.2Very high94.1Very high114 Ų11469.6 Ų69.694%0.94237%0.371SS*.THydrogen-bonded Turntrans-62.7-22.4-175.600000113.9
126D91.1Very high94.4Very high36 Ų3669.1 Ų69.119%0.19338%0.375CS..THydrogen-bonded Turntrans-923.5179.561.1-46.1000113.4P124 R148 K149P124-D126 WeakPolarHBondContact CB-OD1 3.35Å; P124-D126 PolarHBondContact O-N 3.07Å; P124-D126 VanDerWaalsContact O-N 3.11Å; D126-R148 IonicContact OD1-NH2 3.89Å; D126-R148 IonicContact OD2-CZ 2.84Å; D126-R148 IonicContact OD2-NE 2.64Å; D126-R148 PolarHBondContact OD2-NE 2.73Å; D126-R148 IonicContact OD2-NH2 3.02Å; D126-R148 PolarHBondContact OD2-NH2 3.02Å; D126-K149 WeakPolarHBondContact O-CB 3.35Å; D126-K149 PolarHBondContact O-N 3.4Å
127V93.9Very high94.4Very high7 Ų765.3 Ų65.34%0.04236%0.362CS..BIsolated β-bridgetrans-103.2131.8172.9174.20000109.3F74 I123 P124 P129 I132 A146 R148F74-V127 HydrophobicContact CB-CG2 3.56Å; F74-V127 HydrophobicContact CD1-CG1 4.39Å; F74-V127 HydrophobicContact CD1-CG2 4.4Å; F74-V127 HydrophobicContact CG-CG2 4.01Å; I123-V127 HydrophobicContact CG2-CB 3.72Å; I123-V127 HydrophobicContact CG2-CG1 3.76Å; P124-V127 HydrophobicContact CB-CG2 4.07Å; P124-V127 HydrophobicContact CG-CG2 4.13Å; P124-V127 PolarHBondContact O-N 2.94Å; V127-P129 WeakPolarHBondContact O-CD 3.44Å; V127-I132 HydrophobicContact CG1-CG1 4.33Å; V127-A146 HydrophobicContact CG1-CB 3.5Å; V127-A146 VanDerWaalsContact CG1-CB 3.5Å; V127-R148 HydrophobicContact CG2-CG 3.76Å
128D93.4Very high94.3Very high42 Ų4272.7 Ų72.723%0.22540%0.402CS..  trans-83.6119.4175.3-164.4-34.5000110.6L130 T131 K149D128-L130 PolarHBondContact O-N 2.97Å; D128-L130 VanDerWaalsContact O-N 3.11Å; D128-L130 PolarHBondContact OD1-N 2.87Å; D128-L130 VanDerWaalsContact OD1-N 3.1Å; D128-T131 HydrophobicContact CB-CG2 3.84Å; D128-T131 PolarHBondContact O-N 3.13Å; D128-T131 PolarHBondContact O-OG1 2.95Å; D128-K149 IonicContact OD2-NZ 3.81Å; D128-K149 PolarHBondContact OD2-NZ 3.29Å
129P94.4Very high94Very high51 Ų5173.1 Ų73.133%0.33140%0.404SS..G310 helixtrans-56.4-29.5-179.6-25.735.2000114V92 I123 V127 T131 I132V92-P129 HydrophobicContact CG1-CB 3.88Å; I123-P129 HydrophobicContact CD1-CB 4.4Å; I123-P129 HydrophobicContact CD1-CG 4.46Å; V127-P129 WeakPolarHBondContact O-CD 3.44Å; P129-T131 VanDerWaalsContact C-N 3.27Å; P129-T131 PolarHBondContact O-N 2.98Å; P129-I132 PolarHBondContact O-N 3.01Å
130L94.1Very high93.8Very high161 Ų16170.9 Ų70.984%0.84340%0.399SS*.G310 helixtrans-73.9-19.3-179.3-62.4175.1000113.2D128D128-L130 PolarHBondContact O-N 2.97Å; D128-L130 VanDerWaalsContact O-N 3.11Å; D128-L130 PolarHBondContact OD1-N 2.87Å; D128-L130 VanDerWaalsContact OD1-N 3.1Å
131T95.3Very high93.8Very high52 Ų5265.3 Ų65.332%0.31938%0.375SS..G310 helixtrans-93-1.9-179.3660000113D128 P129 T133 P147D128-T131 HydrophobicContact CB-CG2 3.84Å; D128-T131 PolarHBondContact O-N 3.13Å; D128-T131 PolarHBondContact O-OG1 2.95Å; P129-T131 VanDerWaalsContact C-N 3.27Å; P129-T131 PolarHBondContact O-N 2.98Å; T131-T133 PolarHBondContact O-N 2.92Å; T131-P147 HydrophobicContact CG2-CG 4.44Å
132I96.9Very high93.8Very high25 Ų2564.7 Ų64.713%0.12837%0.374CS..  trans-68.9130.7177.9-64169.7000109.6V92 I97 I123 V127 P129 V144 A146V92-I132 HydrophobicContact CG1-CD1 4.17Å; V92-I132 HydrophobicContact CG2-CB 4.36Å; V92-I132 HydrophobicContact CG2-CD1 4.08Å; V92-I132 HydrophobicContact CG2-CG2 4.17Å; I97-I132 HydrophobicContact CD1-CD1 4.07Å; I97-I132 HydrophobicContact CG1-CD1 4.07Å; I123-I132 HydrophobicContact CD1-CD1 3.54Å; I123-I132 HydrophobicContact CG1-CD1 4.01Å; I123-I132 HydrophobicContact CG2-CD1 4.35Å; V127-I132 HydrophobicContact CG1-CG1 4.33Å; P129-I132 PolarHBondContact O-N 3.01Å; I132-V144 HydrophobicContact CG2-CG1 3.47Å; I132-V144 VanDerWaalsContact CG2-CG1 3.47Å; I132-A146 HydrophobicContact CB-CB 4.45Å; I132-A146 HydrophobicContact CG1-CB 3.78Å
133T97.3Very high93.9Very high89 Ų8957.8 Ų57.855%0.54635%0.351SS..EExtended strand (participates in β ladder)trans-128.5158.1175.856.90000109.9T131 V144 S145T131-T133 PolarHBondContact O-N 2.92Å; T133-V144 CarbonylContact O-C 3.4Å; T133-V144 WeakPolarHBondContact O-CA 3.46Å; T133-S145 PolarHBondContact N-O 3.12Å; T133-S145 PolarHBondContact O-N 3.02Å; T133-S145 PolarHBondContact OG1-O 3.28Å
134S96.9Very high94Very high71 Ų7157.4 Ų57.450%0.49735%0.349SS..EExtended strand (participates in β ladder)trans-132.6144.517760.60000111.6T143S134-T143 CarbonylContact C-O 3.53Å; S134-T143 WeakPolarHBondContact CA-O 3.38Å
135S96.6Very high94.2Very high73 Ų7357 Ų5751%0.5135%0.347SS..EExtended strand (participates in β ladder)trans-138.1146.8172.458.40000110.4T143S135-T143 PolarHBondContact N-O 2.96Å; S135-T143 PolarHBondContact O-N 2.81Å
136L95.9Very high94.4Very high68 Ų6851.8 Ų51.836%0.35630%0.304SS..EExtended strand (participates in β ladder)trans-114.1126.3173.8178.963.4000108.4V80 P85 L88 L142V80-L136 HydrophobicContact CG2-CD1 3.52Å; P85-L136 HydrophobicContact CB-CD2 4.04Å; P85-L136 HydrophobicContact CG-CD2 3.78Å; L88-L136 HydrophobicContact CD1-CD1 4.44Å; L88-L136 HydrophobicContact CD1-CD2 4.04Å; L136-L142 HydrophobicContact CD1-CB 4.23Å
137S93.4Very high94.6Very high44 Ų4453.6 Ų53.631%0.30832%0.318SS..  trans-86.3162.9178.663.90000112.1D139 G140 V141S137-D139 WeakPolarHBondContact CB-OD1 3.45Å; S137-D139 PolarHBondContact O-N 2.8Å; S137-D139 PolarHBondContact OG-OD1 3.23Å; S137-G140 PolarHBondContact O-N 3.07Å; S137-V141 PolarHBondContact N-O 2.84Å; S137-V141 WeakPolarHBondContact OG-CA 3.46Å; S137-V141 WeakPolarHBondContact OG-CB 3.48Å; S137-V141 PolarHBondContact OG-N 3.09Å; S137-V141 PolarHBondContact OG-O 3.36Å; S137-V141 VanDerWaalsContact OG-O 3.07Å
138L90.8Very high94.5Very high192 Ų19256 Ų56100%1.00533%0.326SS*.THydrogen-bonded Turntrans-66.7-26.4-178.6-66.4174.6000113.2G140L138-G140 PolarHBondContact O-N 3.05Å
139D87.6Confident94.1Very high92 Ų9259.8 Ų59.849%0.49234%0.341SS..THydrogen-bonded Turntrans-80.94.1173.558.1-32.1000113.1S137S137-D139 WeakPolarHBondContact CB-OD1 3.45Å; S137-D139 PolarHBondContact O-N 2.8Å; S137-D139 PolarHBondContact OG-OD1 3.23Å
140G89.8Confident92.9Very high12 Ų1263.3 Ų63.312%0.12436%0.356CS..SBendtrans8524.3172.300000114.5V80 K81 S137 L138V80-G140 CarbonylContact C-O 3.47Å; V80-G140 WeakPolarHBondContact CA-O 3.29Å; V80-G140 VanDerWaalsContact CG2-O 3.23Å; V80-G140 WeakPolarHBondContact CG2-O 3.48Å; V80-G140 PolarHBondContact N-O 2.99Å; K81-G140 PolarHBondContact N-O 2.48Å; S137-G140 PolarHBondContact O-N 3.07Å; L138-G140 PolarHBondContact O-N 3.05Å
141V93.3Very high91.3Very high7 Ų759.3 Ų59.34%0.04234%0.341CS..EExtended strand (participates in β ladder)trans-101.2115.2176.8-174.40000110.2W59 N77 L78 S137W59-V141 HydrophobicContact CE3-CG1 4.32Å; W59-V141 HydrophobicContact CZ3-CG1 4.48Å; N77-V141 HydrophobicContact CB-CG1 4.26Å; L78-V141 CarbonylContact O-C 3.55Å; S137-V141 PolarHBondContact N-O 2.84Å; S137-V141 WeakPolarHBondContact OG-CA 3.46Å; S137-V141 WeakPolarHBondContact OG-CB 3.48Å; S137-V141 PolarHBondContact OG-N 3.09Å; S137-V141 PolarHBondContact OG-O 3.36Å; S137-V141 VanDerWaalsContact OG-O 3.07Å
142L95.6Very high89.7Confident8 Ų864.3 Ų64.34%0.04237%0.366CS..EExtended strand (participates in β ladder)trans-80.1120.4170.8177.865.7000109.4N77 L78 V80 V90 I99 L136 V144N77-L142 CarbonylContact C-O 3.53Å; N77-L142 WeakPolarHBondContact CA-O 3.27Å; L78-L142 HydrophobicContact CB-CB 4.46Å; L78-L142 PolarHBondContact N-O 2.73Å; L78-L142 PolarHBondContact O-N 3.02Å; V80-L142 HydrophobicContact CG1-CB 4.22Å; V80-L142 HydrophobicContact CG2-CB 3.8Å; V90-L142 HydrophobicContact CG2-CD1 4.42Å; V90-L142 HydrophobicContact CG2-CD2 3.96Å; I99-L142 HydrophobicContact CD1-CD2 4.04Å; I99-L142 HydrophobicContact CG2-CD2 3.55Å; L136-L142 HydrophobicContact CD1-CB 4.23Å; L142-V144 HydrophobicContact CG-CG2 4.45Å
143T96.1Very high87.9Confident31 Ų3169.8 Ų69.819%0.1940%0.395CS..EExtended strand (participates in β ladder)trans-110.3122.7174.6-58.80000109.6V76 S134 S135V76-T143 CarbonylContact O-C 3.57Å; V76-T143 WeakPolarHBondContact O-CA 3.39Å; S134-T143 CarbonylContact C-O 3.53Å; S134-T143 WeakPolarHBondContact CA-O 3.38Å; S135-T143 PolarHBondContact N-O 2.96Å; S135-T143 PolarHBondContact O-N 2.81Å
144V97.2Very high86.3Confident1 Ų171 Ų711%0.00641%0.405CS..EExtended strand (participates in β ladder)trans-109.7126.3169.6-177.50000107.7S75 V76 V90 I97 I99 I132 T133 L142S75-V144 CarbonylContact C-O 3.5Å; S75-V144 VanDerWaalsContact CA-O 3.27Å; S75-V144 WeakPolarHBondContact CA-O 3.22Å; V76-V144 HydrophobicContact CB-CB 4.38Å; V76-V144 PolarHBondContact N-O 2.94Å; V76-V144 PolarHBondContact O-N 2.87Å; V90-V144 HydrophobicContact CG1-CG2 4.31Å; I97-V144 HydrophobicContact CD1-CG1 3.98Å; I97-V144 HydrophobicContact CG2-CG1 4.35Å; I99-V144 HydrophobicContact CD1-CG2 3.88Å; I132-V144 HydrophobicContact CG2-CG1 3.47Å; I132-V144 VanDerWaalsContact CG2-CG1 3.47Å; T133-V144 CarbonylContact O-C 3.4Å; T133-V144 WeakPolarHBondContact O-CA 3.46Å; L142-V144 HydrophobicContact CG-CG2 4.45Å
145S96.6Very high85Confident22 Ų2276.4 Ų76.415%0.15442%0.422CS..EExtended strand (participates in β ladder)trans-146.8154.7-176.472.80000114.1F74 T133F74-S145 CarbonylContact O-C 3.55Å; F74-S145 WeakPolarHBondContact O-CA 3.45Å; F74-S145 WeakPolarHBondContact O-CB 3.31Å; T133-S145 PolarHBondContact N-O 3.12Å; T133-S145 PolarHBondContact O-N 3.02Å; T133-S145 PolarHBondContact OG1-O 3.28Å
146A96.6Very high84.1Confident3 Ų383.3 Ų83.33%0.02544%0.437CS..EExtended strand (participates in β ladder)trans-150.1149.6177.500000111.2F74 V127 I132F74-A146 PolarHBondContact N-O 2.85Å; F74-A146 PolarHBondContact O-N 2.82Å; V127-A146 HydrophobicContact CG1-CB 3.5Å; V127-A146 VanDerWaalsContact CG1-CB 3.5Å; I132-A146 HydrophobicContact CB-CB 4.45Å; I132-A146 HydrophobicContact CG1-CB 3.78Å
147P94.6Very high83.3Confident75 Ų7585.7 Ų85.749%0.48745%0.454SS..EExtended strand (participates in β ladder)trans-66.1143.1167.429.3-34000110.7D72 T131D72-P147 WeakPolarHBondContact O-CA 3.48Å; T131-P147 HydrophobicContact CG2-CG 4.44Å
148R92.6Very high83Confident56 Ų5690 Ų9021%0.21147%0.472CS..BIsolated β-bridgetrans-94138.1171.6-66.1176.374.5-162.81.2109.7L69 E70 D72 K73 F74 D126 V127 L150L69-R148 VanDerWaalsContact CD1-CZ 3.44Å; L69-R148 VanDerWaalsContact CD1-NE 3.32Å; L69-R148 VanDerWaalsContact CG-CZ 3.45Å; E70-R148 WeakPolarHBondContact O-CD 2.87Å; E70-R148 PolarHBondContact O-NH1 3.41Å; D72-R148 PolarHBondContact O-N 3.22Å; K73-R148 WeakPolarHBondContact O-CD 3.42Å; F74-R148 HydrophobicContact CB-CG 4.04Å; D126-R148 IonicContact OD1-NH2 3.89Å; D126-R148 IonicContact OD2-CZ 2.84Å; D126-R148 IonicContact OD2-NE 2.64Å; D126-R148 PolarHBondContact OD2-NE 2.73Å; D126-R148 IonicContact OD2-NH2 3.02Å; D126-R148 PolarHBondContact OD2-NH2 3.02Å; V127-R148 HydrophobicContact CG2-CG 3.76Å; R148-L150 PolarHBondContact O-N 3.09Å
149K84Confident82.7Confident123 Ų12385.9 Ų85.954%0.53546%0.457SS..  trans-73.4112.8167.4-66.1174.3-178.6167.20106.7D126 D128 S151D126-K149 WeakPolarHBondContact O-CB 3.35Å; D126-K149 PolarHBondContact O-N 3.4Å; D128-K149 IonicContact OD2-NZ 3.81Å; D128-K149 PolarHBondContact OD2-NZ 3.29Å; K149-S151 PolarHBondContact O-N 2.86Å
150L69.6Low82.6Confident125 Ų12589.6 Ų89.665%0.65448%0.475SS*.  trans-62.8102.9169.7-75.2165000107.6K71 R148 D152K71-L150 WeakPolarHBondContact O-CD2 2.96Å; R148-L150 PolarHBondContact O-N 3.09Å; L150-D152 PolarHBondContact O-N 3.45Å
151S61.7Low82.3Confident76 Ų7694.7 Ų94.753%0.53150%0.504SS..  trans-77102.8163.758.60000106.7K149 L153K149-S151 PolarHBondContact O-N 2.86Å; S151-L153 PolarHBondContact O-N 3.46Å
152D59.9Low81.6Confident157 Ų157101.8 Ų101.884%0.8454%0.536SS*.  trans-62.874.3160.9-77.3-30000107.9L150 P154L150-D152 PolarHBondContact O-N 3.45Å; D152-P154 WeakPolarHBondContact O-CD 3.5Å
153L60.8Low80.7Confident140 Ų140110 Ų11073%0.73358%0.575SS**  trans-72.7122171.5-69.7175.4000106.5S151 E155S151-L153 PolarHBondContact O-N 3.46Å; L153-E155 PolarHBondContact O-N 3.05Å
154P63Low79.7Confident116 Ų116116.2 Ų116.275%0.75360%0.602SS**  trans-59.9127.4177.224-31.7000108.7D152 R156D152-P154 WeakPolarHBondContact O-CD 3.5Å; P154-R156 PolarHBondContact O-N 3.36Å; P154-R156 VanDerWaalsContact O-N 3.08Å
155E69.8Low78.5Confident184 Ų184125.2 Ų125.286%0.8664%0.641SS**  trans-50.9115.9173.7-176.1178.5178.500109.2L153L153-E155 PolarHBondContact O-N 3.05Å
156R77.8Confident76.8Confident217 Ų217129.7 Ų129.782%0.81967%0.669SS**  trans-103.8104.4177.2-176.7179.3176.2171.3-0.7109.2P154 I158P154-R156 PolarHBondContact O-N 3.36Å; P154-R156 VanDerWaalsContact O-N 3.08Å; R156-I158 PolarHBondContact O-N 3.39Å
157T79.6Confident75Confident119 Ų119134.1 Ų134.173%0.7371%0.706SS**PPolyproline II helixtrans-65.9119.3169.2-47.20000109.5
158I85.9Confident73.4Confident134 Ų134138.4 Ų138.469%0.68772%0.723SS**PPolyproline II helixtrans-95.4117.4174.8-56.2175.9000107.7R156R156-I158 PolarHBondContact O-N 3.39Å
159P84.9Confident71.6Confident106 Ų106140.2 Ų140.269%0.68875%0.75SS**PPolyproline II helixtrans-69.3137.4178.228.1-33000110.8
160I84.8Confident70Confident169 Ų169138 Ų13887%0.86776%0.762SS**  trans-87.8113.7175.1-58.4173.1000108.1
161T84.1Confident69.3Low120 Ų120136.2 Ų136.274%0.73677%0.765SS**  trans-90.3121.9171.646.90000110.1
162H79.1Confident68.7Low155 Ų155141.2 Ų141.272%0.71878%0.78SS**  trans-83.5112.8173-172.3-102.8000109.2E164H162-E164 VanDerWaalsContact ND1-CG 3.33Å; H162-E164 WeakPolarHBondContact ND1-CG 3.41Å; H162-E164 PolarHBondContact O-N 3.09Å
163E75.3Confident68.2Low180 Ų180145.9 Ų145.984%0.84179%0.786SS**  trans-79.397171.6-69.9-169.9177.600109.4K165E163-K165 PolarHBondContact O-N 2.98Å; E163-K165 VanDerWaalsContact O-N 3.08Å
164E75.9Confident67.6Low163 Ų163152.3 Ų152.376%0.76281%0.808SS**  trans-72.4100.1165.9-71.1-167.6168.400109.3H162 P166H162-E164 VanDerWaalsContact ND1-CG 3.33Å; H162-E164 WeakPolarHBondContact ND1-CG 3.41Å; H162-E164 PolarHBondContact O-N 3.09Å; E164-P166 WeakPolarHBondContact O-CD 3.27Å
165K71.7Confident67.8Low189 Ų189154.1 Ų154.182%0.82281%0.811SS**  trans-61.6120.1163.7-172.4174.7-175.3175.20107.4E163 A167E163-K165 PolarHBondContact O-N 2.98Å; E163-K165 VanDerWaalsContact O-N 3.08Å; K165-A167 PolarHBondContact O-N 2.77Å
166P60.9Low67.7Low116 Ų116152.5 Ų152.575%0.75381%0.808SS**  trans-64.3114.3-174.523.9-31000109.1E164 I168E164-P166 WeakPolarHBondContact O-CD 3.27Å; P166-I168 PolarHBondContact O-N 3.45Å
167A58.7Low67.1Low96 Ų96148.9 Ų148.979%0.79381%0.808SS**  trans-63.9122.2167.100000107.3K165 A169K165-A167 PolarHBondContact O-N 2.77Å; A167-A169 PolarHBondContact O-N 2.99Å
168I60.8Low66.4Low165 Ų165150.7 Ų150.785%0.84681%0.812SS**  trans-45.5114.5-178.6-63.5157.8000109P166 G170P166-I168 PolarHBondContact O-N 3.45Å; I168-G170 VanDerWaalsContact C-N 3.32Å; I168-G170 PolarHBondContact O-N 3.16Å
169A56Low65.2Low94 Ų94151.8 Ų151.878%0.77782%0.82SS**  trans-64.595.5171.100000108.3A167 A171A167-A169 PolarHBondContact O-N 2.99Å; A169-A171 PolarHBondContact O-N 2.84Å
170G50Low63.9Low77 Ų77154.8 Ų154.879%0.79483%0.829SS**  trans-68.382.3168.400000110I168I168-G170 VanDerWaalsContact C-N 3.32Å; I168-G170 PolarHBondContact O-N 3.16Å
171A55Low62.4Low87 Ų87153.8 Ų153.872%0.71983%0.826SS**  trans-75.2124.7157.900000108.2A169A169-A171 PolarHBondContact O-N 2.84Å
172Q49.3Very low60.7Low182 Ų182156.4 Ų156.485%0.8583%0.833SS**  -168.9113.7118.4-73.8-139.6-30.200109.1
173R48.7Very low59.2Low254 Ų254156.5 Ų156.596%0.95884%0.843SS**  trans-83.2131.2157.1-86.1179.5172164.4-3107.8
174K47.7Very low57.7Low275 Ų275154.4 Ų154.4100%1.19684%0.843SS**  trans-134.10152.6-98.4-171175.9-177.50108.1

Retrieved 174 of 174 residues in 136.1 ms (Link to these results)