A0A087XNX5_POEFO Loading...

Large ribosomal subunit protein bL9m

AlphaFold DB , UniProt , Accession A0A087XNX5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 288 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.8Very low46.7Very low224 Ų224144.8 Ų144.8100%1.10378%0.775SS**  0150.50-63-168.8-157.700108.3
2F45.2Very low46.7Very low197 Ų197145.3 Ų145.386%0.86478%0.776SS**  trans83.892.2178.1-50.4-74.6000117.9
3S43Very low46.3Very low117 Ų117145.6 Ų145.682%0.81878%0.777SS**  -164.536.3128.461.90000112.7G5S3-G5 PolarHBondContact O-N 2.98Å
4C48.5Very low46Very low140 Ų140150.4 Ų150.495%0.94678%0.779SS**  trans-96.956.3177.7-39.60000110.1
5G49.9Very low46Very low50 Ų50151.6 Ų151.652%0.51578%0.779SS.*SBendtrans-141.4-15.9-171.500000116.6S3S3-G5 PolarHBondContact O-N 2.98Å
6R49.2Very low45.9Very low232 Ų232148.9 Ų148.988%0.87578%0.775SS**SBendtrans-96.2-14.5-174.1-95-176.6168168.2-2.6115.6
7F44.8Very low46Very low180 Ų180145.4 Ų145.479%0.78977%0.772SS**SBendtrans-91-22-177.1-96.1-82.8000114.9
8A47.3Very low45.9Very low75 Ų75144.5 Ų144.562%0.6277%0.773SS**SBendtrans-77.7-36.1-177.200000113Q10A8-Q10 VanDerWaalsContact C-N 3.33Å; A8-Q10 PolarHBondContact O-N 3.31Å
9L43.2Very low46.1Very low124 Ų124147.6 Ų147.665%0.64977%0.772SS**Hα-helixtrans-78-15.9-177.5-73.2172.4000114V11L9-V11 VanDerWaalsContact C-N 3.34Å
10Q47.5Very low45.9Very low140 Ų140145.7 Ų145.765%0.65477%0.772SS**Hα-helixtrans-81.6-14.1178.4-130.2175.115.900113.4A8A8-Q10 VanDerWaalsContact C-N 3.33Å; A8-Q10 PolarHBondContact O-N 3.31Å
11V48.8Very low46Very low114 Ų114147.2 Ų147.269%0.69177%0.773SS**Hα-helixtrans-85.6-33.7179.51790000111.6L9L9-V11 VanDerWaalsContact C-N 3.34Å
12L45.9Very low46.1Very low151 Ų151140.6 Ų140.679%0.79175%0.748SS**Hα-helixtrans-79.1-21.4-180-71.3170.9000114
13L41.5Very low46.6Very low149 Ų149139.7 Ų139.778%0.7875%0.751SS**SBendtrans-97.6-0.7178.6-73.3167.8000113.8Q15L13-Q15 VanDerWaalsContact C-N 3.26Å; L13-Q15 PolarHBondContact O-N 3.19Å
14R42.8Very low47.3Very low213 Ų213138.6 Ų138.680%0.80474%0.74SS**  trans-85.277.4173-157.9171.6-169.11572.8108.2P16R14-P16 VanDerWaalsContact O-N 3.15Å
15Q45.8Very low48Very low168 Ų168136.9 Ų136.979%0.78573%0.727SS**  trans-47.2125.9159.8-68.7-177.7-14.500106.4L13 A17L13-Q15 VanDerWaalsContact C-N 3.26Å; L13-Q15 PolarHBondContact O-N 3.19Å; Q15-A17 PolarHBondContact O-N 3.01Å
16P44.5Very low48.8Very low109 Ų109138.5 Ų138.571%0.70874%0.735SS**  trans-54.2119.3171.224.1-30.9000104.2R14 V18R14-P16 VanDerWaalsContact O-N 3.15Å; P16-V18 VanDerWaalsContact C-N 3.28Å; P16-V18 PolarHBondContact O-N 3.33Å
17A46.8Very low49.8Very low89 Ų89135.1 Ų135.174%0.73673%0.73SS**  trans-49.3107.2176.500000104.9Q15 R19Q15-A17 PolarHBondContact O-N 3.01Å; A17-R19 PolarHBondContact O-N 2.75Å
18V44.4Very low51.7Low129 Ų129131 Ų13178%0.78271%0.713SS**  trans-64.493.9175179.20000100.8P16 S20P16-V18 VanDerWaalsContact C-N 3.28Å; P16-V18 PolarHBondContact O-N 3.33Å; V18-S20 VanDerWaalsContact C-N 3.28Å; V18-S20 PolarHBondContact O-N 3.28Å
19R49.1Very low53.8Low203 Ų203131.2 Ų131.277%0.76671%0.707SS**  trans-52111.8168.1-79.5-170.7164.8-171.7-4.9101.7A17 F21A17-R19 PolarHBondContact O-N 2.75Å; R19-F21 VanDerWaalsContact O-CD2 3.26Å; R19-F21 WeakPolarHBondContact O-CD2 3.32Å; R19-F21 PolarHBondContact O-N 3.17Å
20S42Very low56.2Low110 Ų110129.3 Ų129.377%0.76970%0.7SS**  trans-50.996.7168.249.80000104.6V18 S22V18-S20 VanDerWaalsContact C-N 3.28Å; V18-S20 PolarHBondContact O-N 3.28Å; S20-S22 PolarHBondContact O-N 3.38Å
21F48.3Very low58.5Low178 Ų178126.1 Ų126.178%0.78169%0.686SS**  trans-64.5102.3172.1-73.3-80.8000102.1R19 L23R19-F21 VanDerWaalsContact O-CD2 3.26Å; R19-F21 WeakPolarHBondContact O-CD2 3.32Å; R19-F21 PolarHBondContact O-N 3.17Å; F21-L23 PolarHBondContact O-N 3.13Å
22S50.4Low60.8Low84 Ų84124.1 Ų124.159%0.58767%0.674SS**  trans-48.7120.7162.651.20000105.1S20 T24S20-S22 PolarHBondContact O-N 3.38Å; S22-T24 CarbonylContact O-C 3.59Å; S22-T24 PolarHBondContact O-N 2.94Å; S22-T24 PolarHBondContact OG-O 3.23Å; S22-T24 VanDerWaalsContact OG-O 3.13Å
23L55.9Low63.2Low178 Ų178121 Ų12193%0.93266%0.655SS**SBendtrans-58.3-12.6176.3-66.5171.2000111.2F21 P25F21-L23 PolarHBondContact O-N 3.13Å; L23-P25 WeakPolarHBondContact O-CD 3.22Å
24T57.3Low65.8Low94 Ų94118.3 Ų118.358%0.57764%0.635SS**SBendtrans-74.2113.9165.3-28.90000110.1S22 A26S22-T24 CarbonylContact O-C 3.59Å; S22-T24 PolarHBondContact O-N 2.94Å; S22-T24 PolarHBondContact OG-O 3.23Å; S22-T24 VanDerWaalsContact OG-O 3.13Å; T24-A26 PolarHBondContact O-N 3.48Å
25P62.6Low68.3Low105 Ų105115.7 Ų115.768%0.68263%0.625SS**  trans-60.1137.8172.425-32.4000109.4L23 Q27L23-P25 WeakPolarHBondContact O-CD 3.22Å; P25-Q27 PolarHBondContact O-N 2.89Å; P25-Q27 VanDerWaalsContact O-N 3.11Å
26A66.8Low70.7Confident83 Ų83112.8 Ų112.869%0.68661%0.607SS**  trans-55.2120.6172.900000108.7T24 H28T24-A26 PolarHBondContact O-N 3.48Å; A26-H28 PolarHBondContact O-N 2.86Å
27Q70.3Confident73Confident162 Ų162116.4 Ų116.476%0.75762%0.615SS**SBendtrans-69.9-21.3-176.3-64-170.90.800112.4P25P25-Q27 PolarHBondContact O-N 2.89Å; P25-Q27 VanDerWaalsContact O-N 3.11Å
28H84.7Confident75.3Confident93 Ų93114.4 Ų114.443%0.43159%0.593SS.*  trans-137.7140-175.8-51.7-57.6000109.9A26 K64A26-H28 PolarHBondContact O-N 2.86Å; H28-K64 HydrophobicContact CB-CB 4.01Å; H28-K64 WeakPolarHBondContact ND1-CA 3.45Å
29T91.4Very high77.7Confident80 Ų80111.6 Ų111.649%0.49158%0.578SS.*  trans-117.3129.3176.6-55.20000109.1I31 T63T29-I31 HydrophobicContact CG2-CG1 4.25Å; T29-T63 WeakPolarHBondContact CA-OG1 3.46Å; T29-T63 PolarHBondContact N-OG1 3Å; T29-T63 PolarHBondContact O-N 3.37Å; T29-T63 PolarHBondContact O-OG1 2.82Å
30V94.3Very high79.8Confident83 Ų83110.4 Ų110.450%0.50359%0.585SS.*EExtended strand (participates in β ladder)trans-98.5115.5171-176.40000107.6V32 L59V30-V32 HydrophobicContact CG1-CG1 4Å; V30-L59 HydrophobicContact CG1-CD1 3.33Å
31I95.6Very high82.3Confident74 Ų74107.5 Ų107.538%0.37957%0.565SS.*EExtended strand (participates in β ladder)trans-93.6125.9179.8-56.8176.1000108T29 V60 E61 T63T29-I31 HydrophobicContact CG2-CG1 4.25Å; I31-V60 HydrophobicContact CG2-CB 4.42Å; I31-V60 PolarHBondContact O-N 2.92Å; I31-E61 HydrophobicContact CB-CB 4.29Å; I31-E61 HydrophobicContact CD1-CB 4.4Å; I31-E61 PolarHBondContact N-O 2.92Å; I31-E61 PolarHBondContact O-N 3.48Å; I31-T63 HydrophobicContact CD1-CG2 4.44Å
32V96.5Very high84.5Confident71 Ų71107.5 Ų107.543%0.4357%0.565SS.*EExtended strand (participates in β ladder)trans-130.1144.4-177.7-56.90000111V30 Y57 K58 L59V30-V32 HydrophobicContact CG1-CG1 4Å; V32-Y57 HydrophobicContact CB-CG 4.47Å; V32-Y57 HydrophobicContact CG2-CD1 3.82Å; V32-Y57 HydrophobicContact CG2-CG 3.93Å; V32-K58 CarbonylContact C-O 3.58Å; V32-K58 VanDerWaalsContact CA-O 3.28Å; V32-K58 WeakPolarHBondContact CA-O 3.29Å; V32-K58 WeakPolarHBondContact CB-O 3.37Å; V32-L59 HydrophobicContact CG1-CD1 4.45Å
33E96.3Very high86.6Confident85 Ų85113.1 Ų113.140%0.39758%0.582SS.*EExtended strand (participates in β ladder)trans-103.4149170.766.1-172.517800109.8Y57 K58 V60E33-Y57 CarbonylContact O-C 3.6Å; E33-Y57 VanDerWaalsContact O-CA 3.24Å; E33-Y57 WeakPolarHBondContact O-CA 3.42Å; E33-K58 HydrophobicContact CG-CB 3.85Å; E33-K58 HydrophobicContact CG-CG 4.44Å; E33-K58 PolarHBondContact N-O 3.38Å; E33-K58 PolarHBondContact O-N 3.22Å; E33-K58 VanDerWaalsContact OE1-CD 3.31Å; E33-K58 WeakPolarHBondContact OE1-CD 3.41Å; E33-K58 WeakPolarHBondContact OE1-CE 3.45Å; E33-K58 IonicContact OE1-NZ 3.84Å; E33-K58 PolarHBondContact OE1-NZ 3.47Å; E33-V60 HydrophobicContact CB-CG2 3.65Å; E33-V60 HydrophobicContact CG-CG2 3.5Å; E33-V60 VanDerWaalsContact CG-CG2 3.5Å
34R96.1Very high88.5Confident94 Ų94108.8 Ų108.836%0.35558%0.58SS.*EExtended strand (participates in β ladder)trans-72.9135.7172.3-73.4179.6-168.8-101.73.3108.4W36 H54 Y57R34-W36 PolarHBondContact O-N 2.96Å; R34-H54 WeakPolarHBondContact CD-O 3.26Å; R34-H54 VanDerWaalsContact NH1-C 3.33Å; R34-H54 PolarHBondContact NH1-O 2.95Å; R34-Y57 HydrophobicContact CG-CD1 3.77Å; R34-Y57 HydrophobicContact CG-CE1 3.53Å
35W95.7Very high90.2Very high158 Ų158106.6 Ų106.660%0.59857%0.569SS**SBendtrans-63-30.1178.5-166.6-79.9000112.6V56 K58W35-V56 HydrophobicContact CB-CB 4.2Å; W35-V56 HydrophobicContact CB-CG1 3.89Å; W35-V56 HydrophobicContact CG-CG1 4.36Å; W35-V56 PolarHBondContact N-O 2.91Å; W35-K58 HydrophobicContact CE3-CB 3.83Å; W35-K58 HydrophobicContact CE3-CD 4.13Å; W35-K58 HydrophobicContact CE3-CG 4.32Å; W35-K58 HydrophobicContact CH2-CD 4.48Å; W35-K58 HydrophobicContact CZ3-CB 4.09Å; W35-K58 HydrophobicContact CZ3-CD 3.75Å; W35-K58 HydrophobicContact CZ3-CG 4.07Å
36W95.6Very high91.8Very high107 Ų107106.9 Ų106.941%0.40557%0.571SS.*SBendtrans-117.8135.2179.7-54.989.1000109.9R34 R53R34-W36 PolarHBondContact O-N 2.96Å; W36-R53 HydrophobicContact CB-CG 3.61Å; W36-R53 HydrophobicContact CD2-CG 3.7Å; W36-R53 HydrophobicContact CG-CG 3.25Å
37E93.9Very high93Very high185 Ų185106.5 Ų106.586%0.86456%0.561SS**PPolyproline II helixtrans-63.7142.5176.8-64.4-179.8177.800111.8H54E37-H54 PolarHBondContact O-NE2 3.1Å
38V95Very high94Very high47 Ų47107 Ų10729%0.28556%0.556SS.*PPolyproline II helixtrans-94.2123.4178.2-179.90000108.3P47 L49V38-P47 HydrophobicContact CG1-CB 3.86Å; V38-L49 HydrophobicContact CB-CD2 4.29Å; V38-L49 HydrophobicContact CG1-CD2 3.61Å; V38-L49 HydrophobicContact CG2-CD2 3.62Å
39P93.3Very high94.5Very high70 Ų70106.6 Ų106.646%0.45556%0.557SS.*PPolyproline II helixtrans-64.7140.3179.327.5-34000110.7S41P39-S41 PolarHBondContact O-N 3.37Å
40L93.9Very high94.6Very high177 Ų177108.2 Ų108.293%0.92756%0.555SS**PPolyproline II helixtrans-61.4131178.5-67.3169.3000110.5
41S94Very high94.4Very high49 Ų49108.6 Ų108.634%0.34356%0.561SS.*PPolyproline II helixtrans-85.7170.4170.849.70000110.6P39 S45 P46P39-S41 PolarHBondContact O-N 3.37Å; S41-S45 WeakPolarHBondContact CB-OG 3.45Å; S41-S45 PolarHBondContact OG-O 2.93Å; S41-P46 VanDerWaalsContact CB-O 3.29Å; S41-P46 WeakPolarHBondContact CB-O 3.42Å; S41-P46 PolarHBondContact OG-O 3.45Å
42K94.6Very high94.2Very high178 Ų178116.4 Ų116.477%0.77459%0.586SS**PPolyproline II helixtrans-61.4149.8171.7-62.4-178.7177.7-176.10109.5G44 S45K42-G44 PolarHBondContact O-N 3.32Å; K42-S45 WeakPolarHBondContact CA-OG 3.43Å; K42-S45 WeakPolarHBondContact CB-OG 3.18Å; K42-S45 PolarHBondContact N-OG 3.3Å; K42-S45 VanDerWaalsContact N-OG 3.08Å; K42-S45 WeakPolarHBondContact O-CB 3.2Å; K42-S45 PolarHBondContact O-N 2.89Å; K42-S45 PolarHBondContact O-OG 2.91Å
43E95.4Very high94.1Very high202 Ų202119.3 Ų119.394%0.94459%0.589SS**THydrogen-bonded Turntrans-53.2136.1176-168.1174.4-17900111.3S45E43-S45 PolarHBondContact O-N 2.85Å; E43-S45 VanDerWaalsContact O-N 3.13Å
44G94.8Very high94Very high88 Ų88115.4 Ų115.491%0.90757%0.571SS**THydrogen-bonded Turntrans73.7-9.3-174.900000115.7K42K42-G44 PolarHBondContact O-N 3.32Å
45S94.5Very high93.9Very high48 Ų48119.6 Ų119.634%0.33659%0.587SS.*SBendtrans-98.5142.8176.474.40000112S41 K42 E43S41-S45 WeakPolarHBondContact CB-OG 3.45Å; S41-S45 PolarHBondContact OG-O 2.93Å; K42-S45 WeakPolarHBondContact CA-OG 3.43Å; K42-S45 WeakPolarHBondContact CB-OG 3.18Å; K42-S45 PolarHBondContact N-OG 3.3Å; K42-S45 VanDerWaalsContact N-OG 3.08Å; K42-S45 WeakPolarHBondContact O-CB 3.2Å; K42-S45 PolarHBondContact O-N 2.89Å; K42-S45 PolarHBondContact O-OG 2.91Å; E43-S45 PolarHBondContact O-N 2.85Å; E43-S45 VanDerWaalsContact O-N 3.13Å
46P94.4Very high93.9Very high111 Ų111115.3 Ų115.372%0.72158%0.577SS**PPolyproline II helixtrans-67.9153.8-178.928.6-35.3000112.1S41S41-P46 VanDerWaalsContact CB-O 3.29Å; S41-P46 WeakPolarHBondContact CB-O 3.42Å; S41-P46 PolarHBondContact OG-O 3.45Å
47P93.8Very high94Very high74 Ų74115.4 Ų115.448%0.48158%0.579SS.*PPolyproline II helixtrans-67140.7-178.926.9-34.5000111.9V38 L49V38-P47 HydrophobicContact CG1-CB 3.86Å; P47-L49 PolarHBondContact O-N 3.41Å
48R91.1Very high94.1Very high173 Ų173111.3 Ų111.365%0.65356%0.558SS**  trans-80.3102.3176.9-172.9174.6176169.4-1.4110.5Y50R48-Y50 PolarHBondContact NE-OH 2.82Å
49L94Very high94.2Very high84 Ų84114.1 Ų114.144%0.4457%0.571SS.*  trans-94.8124.5180-61.7178.8000112.8V38 P47 H54V38-L49 HydrophobicContact CB-CD2 4.29Å; V38-L49 HydrophobicContact CG1-CD2 3.61Å; V38-L49 HydrophobicContact CG2-CD2 3.62Å; P47-L49 PolarHBondContact O-N 3.41Å; L49-H54 HydrophobicContact CD2-CB 4.31Å
50Y92.9Very high94.3Very high115 Ų115114.7 Ų114.745%0.45157%0.573SS.*  trans-86.6116169.3-64.8-71.1000110.2R48 R52 R53 H54R48-Y50 PolarHBondContact NE-OH 2.82Å; Y50-R52 VanDerWaalsContact C-N 3.29Å; Y50-R52 PolarHBondContact O-N 3.27Å; Y50-R53 PolarHBondContact O-N 2.9Å; Y50-H54 AromaticContact CD2-CE1 3.69Å; Y50-H54 PolarHBondContact N-ND1 3.37Å; Y50-H54 WeakPolarHBondContact O-CB 3.31Å; Y50-H54 PolarHBondContact O-N 3.45Å
51S91.1Very high94.4Very high91 Ų91110.8 Ų110.864%0.63655%0.55SS*.THydrogen-bonded Turntrans-56-36.8-172.7-1720000114.2R55S51-R55 WeakPolarHBondContact O-CB 3.33Å
52R92Very high94.4Very high238 Ų238109.9 Ų109.990%0.89854%0.541SS*.THydrogen-bonded Turntrans-76.1-47.8178.5-74.8-176.7166.3165.6-4.1113.1Y50Y50-R52 VanDerWaalsContact C-N 3.29Å; Y50-R52 PolarHBondContact O-N 3.27Å
53R93Very high94.2Very high131 Ų131103.6 Ų103.649%0.49452%0.518SS..THydrogen-bonded Turntrans-76.7-51.4-173.4-173.1-176.5-93.9-143.4-3.3111.3W36 Y50 R55W36-R53 HydrophobicContact CB-CG 3.61Å; W36-R53 HydrophobicContact CD2-CG 3.7Å; W36-R53 HydrophobicContact CG-CG 3.25Å; Y50-R53 PolarHBondContact O-N 2.9Å; R53-R55 VanDerWaalsContact C-N 3.33Å; R53-R55 PolarHBondContact O-N 2.87Å
54H94.5Very high94Very high4 Ų498.9 Ų98.92%0.01949%0.494CS..THydrogen-bonded Turntrans-82.4-9-169.6-58.2166.1000113.4R34 E37 L49 Y50 V56R34-H54 WeakPolarHBondContact CD-O 3.26Å; R34-H54 VanDerWaalsContact NH1-C 3.33Å; R34-H54 PolarHBondContact NH1-O 2.95Å; E37-H54 PolarHBondContact O-NE2 3.1Å; L49-H54 HydrophobicContact CD2-CB 4.31Å; Y50-H54 AromaticContact CD2-CE1 3.69Å; Y50-H54 PolarHBondContact N-ND1 3.37Å; Y50-H54 WeakPolarHBondContact O-CB 3.31Å; Y50-H54 PolarHBondContact O-N 3.45Å; H54-V56 VanDerWaalsContact C-N 3.26Å
55R95.1Very high93.9Very high182 Ų182101.6 Ų101.669%0.68748%0.483SS*.THydrogen-bonded Turntrans-83.4-3.4176.8-166168.3-179.8171.2-1.5113.3S51 R53 Y57S51-R55 WeakPolarHBondContact O-CB 3.33Å; R53-R55 VanDerWaalsContact C-N 3.33Å; R53-R55 PolarHBondContact O-N 2.87Å; R55-Y57 HydrophobicContact CG-CE2 4.4Å; R55-Y57 WeakPolarHBondContact O-CD2 3.46Å; R55-Y57 VanDerWaalsContact O-CE2 3.23Å; R55-Y57 WeakPolarHBondContact O-CE2 3.47Å
56V95.1Very high93.7Very high67 Ų67101 Ų10141%0.40648%0.481SS..  trans-83.8123.3171.9-174.90000108.5W35 H54W35-V56 HydrophobicContact CB-CB 4.2Å; W35-V56 HydrophobicContact CB-CG1 3.89Å; W35-V56 HydrophobicContact CG-CG1 4.36Å; W35-V56 PolarHBondContact N-O 2.91Å; H54-V56 VanDerWaalsContact C-N 3.26Å
57Y96.6Very high93.6Very high110 Ų110101.6 Ų101.643%0.43149%0.485SS..EExtended strand (participates in β ladder)trans-119.3150.7-177.9-57.5-74.3000110.9V32 E33 R34 R55V32-Y57 HydrophobicContact CB-CG 4.47Å; V32-Y57 HydrophobicContact CG2-CD1 3.82Å; V32-Y57 HydrophobicContact CG2-CG 3.93Å; E33-Y57 CarbonylContact O-C 3.6Å; E33-Y57 VanDerWaalsContact O-CA 3.24Å; E33-Y57 WeakPolarHBondContact O-CA 3.42Å; R34-Y57 HydrophobicContact CG-CD1 3.77Å; R34-Y57 HydrophobicContact CG-CE1 3.53Å; R55-Y57 HydrophobicContact CG-CE2 4.4Å; R55-Y57 WeakPolarHBondContact O-CD2 3.46Å; R55-Y57 VanDerWaalsContact O-CE2 3.23Å; R55-Y57 WeakPolarHBondContact O-CE2 3.47Å
58K96.5Very high93.5Very high98 Ų98106.9 Ų106.943%0.42650%0.5SS..EExtended strand (participates in β ladder)trans-111.3133.8170.1-178.7173.2156.8-135.50108.7V32 E33 W35 V60V32-K58 CarbonylContact C-O 3.58Å; V32-K58 VanDerWaalsContact CA-O 3.28Å; V32-K58 WeakPolarHBondContact CA-O 3.29Å; V32-K58 WeakPolarHBondContact CB-O 3.37Å; E33-K58 HydrophobicContact CG-CB 3.85Å; E33-K58 HydrophobicContact CG-CG 4.44Å; E33-K58 PolarHBondContact N-O 3.38Å; E33-K58 PolarHBondContact O-N 3.22Å; E33-K58 VanDerWaalsContact OE1-CD 3.31Å; E33-K58 WeakPolarHBondContact OE1-CD 3.41Å; E33-K58 WeakPolarHBondContact OE1-CE 3.45Å; E33-K58 IonicContact OE1-NZ 3.84Å; E33-K58 PolarHBondContact OE1-NZ 3.47Å; W35-K58 HydrophobicContact CE3-CB 3.83Å; W35-K58 HydrophobicContact CE3-CD 4.13Å; W35-K58 HydrophobicContact CE3-CG 4.32Å; W35-K58 HydrophobicContact CH2-CD 4.48Å; W35-K58 HydrophobicContact CZ3-CB 4.09Å; W35-K58 HydrophobicContact CZ3-CD 3.75Å; W35-K58 HydrophobicContact CZ3-CG 4.07Å; K58-V60 PolarHBondContact O-N 3.21Å
59L96.9Very high93.6Very high107 Ų107105.4 Ų105.456%0.5650%0.501SS*.EExtended strand (participates in β ladder)trans-67.9126.4175.5179.465.1000109.2V30 V32V30-L59 HydrophobicContact CG1-CD1 3.33Å; V32-L59 HydrophobicContact CG1-CD1 4.45Å
60V96.1Very high93.7Very high81 Ų81108.3 Ų108.349%0.49151%0.51SS..EExtended strand (participates in β ladder)trans-102.5-58.41771780000109.6I31 E33 K58I31-V60 HydrophobicContact CG2-CB 4.42Å; I31-V60 PolarHBondContact O-N 2.92Å; E33-V60 HydrophobicContact CB-CG2 3.65Å; E33-V60 HydrophobicContact CG-CG2 3.5Å; E33-V60 VanDerWaalsContact CG-CG2 3.5Å; K58-V60 PolarHBondContact O-N 3.21Å
61E95.3Very high93.9Very high95 Ų95104 Ų10444%0.44449%0.494SS..EExtended strand (participates in β ladder)trans-144.7145-176.1-174.5-176.7165.300110.3I31I31-E61 HydrophobicContact CB-CB 4.29Å; I31-E61 HydrophobicContact CD1-CB 4.4Å; I31-E61 PolarHBondContact N-O 2.92Å; I31-E61 PolarHBondContact O-N 3.48Å
62D94.1Very high94.2Very high30 Ų30102.5 Ų102.516%0.1648%0.477CS..EExtended strand (participates in β ladder)trans-120.8108170.9-162.9-26000110K64 H65D62-K64 PolarHBondContact O-N 3.45Å; D62-K64 VanDerWaalsContact OD1-CG 3.31Å; D62-K64 WeakPolarHBondContact OD1-CG 3.47Å; D62-K64 PolarHBondContact OD1-N 3.09Å; D62-K64 WeakPolarHBondContact OD2-CE 3.28Å; D62-K64 IonicContact OD2-NZ 3.67Å; D62-H65 PolarHBondContact O-N 3.23Å; D62-H65 VanDerWaalsContact O-N 3.13Å
63T91.9Very high94.4Very high47 Ų4791.1 Ų91.129%0.28843%0.434SS..THydrogen-bonded Turntrans-64-12-175.956.70000113.5T29 I31 H65 A66T29-T63 WeakPolarHBondContact CA-OG1 3.46Å; T29-T63 PolarHBondContact N-OG1 3Å; T29-T63 PolarHBondContact O-N 3.37Å; T29-T63 PolarHBondContact O-OG1 2.82Å; I31-T63 HydrophobicContact CD1-CG2 4.44Å; T63-H65 PolarHBondContact O-N 2.97Å; T63-A66 PolarHBondContact O-N 3.26Å
64K91.1Very high94.7Very high102 Ų10285 Ų8544%0.44341%0.411SS..THydrogen-bonded Turntrans-63.5-31.3173.779.7176.1141.4159.60113.1H28 D62H28-K64 HydrophobicContact CB-CB 4.01Å; H28-K64 WeakPolarHBondContact ND1-CA 3.45Å; D62-K64 PolarHBondContact O-N 3.45Å; D62-K64 VanDerWaalsContact OD1-CG 3.31Å; D62-K64 WeakPolarHBondContact OD1-CG 3.47Å; D62-K64 PolarHBondContact OD1-N 3.09Å; D62-K64 WeakPolarHBondContact OD2-CE 3.28Å; D62-K64 IonicContact OD2-NZ 3.67Å
65H91.4Very high94.8Very high145 Ų14584.8 Ų84.867%0.67141%0.41SS*.SBendtrans-95.2-7.1-175.2-63-53.8000112.6D62 T63D62-H65 PolarHBondContact O-N 3.23Å; D62-H65 VanDerWaalsContact O-N 3.13Å; T63-H65 PolarHBondContact O-N 2.97Å
66A90.9Very high94.8Very high37 Ų3777 Ų7731%0.30638%0.383SS..SBendtrans-66.3147.4175.200000111.2T63 K68T63-A66 PolarHBondContact O-N 3.26Å; A66-K68 PolarHBondContact O-N 3.28Å
67P92.6Very high94.7Very high122 Ų12279 Ų7979%0.79239%0.388SS*.  trans-61.1134.1177.325.4-33.5000111E69P67-E69 PolarHBondContact O-N 3.04Å
68K90.9Very high94.4Very high186 Ų18677.6 Ų77.681%0.80939%0.391SS*.  trans-81.6108.9-176.5-66177-176.31740110.8A66A66-K68 PolarHBondContact O-N 3.28Å
69E93.6Very high94.2Very high142 Ų14273.8 Ų73.866%0.66438%0.376SS*.PPolyproline II helixtrans-65.9149.2173-63.8175.1166.900112.7P67 K93P67-E69 PolarHBondContact O-N 3.04Å; E69-K93 WeakPolarHBondContact O-CE 3.45Å
70K96.5Very high93.9Very high145 Ų14575.1 Ų75.163%0.6338%0.379SS*.EExtended strand (participates in β ladder)trans-75.5149171-63.8179.4-177.5177.10110F90 V91K70-F90 HydrophobicContact CB-CB 4.16Å; K70-F90 HydrophobicContact CD-CB 4.2Å; K70-V91 CarbonylContact C-O 3.44Å; K70-V91 WeakPolarHBondContact CA-O 3.49Å
71M95.7Very high93.6Very high25 Ų2581.2 Ų81.212%0.12340%0.399CS..EExtended strand (participates in β ladder)trans-98.2130.8176.5177.6-179.4-84.900109.3L73 F90 V91 K93 R97 Y108M71-L73 HydrophobicContact CG-CD2 4.31Å; M71-L73 HydrophobicContact CG-CG 4.1Å; M71-L73 HydrophobicContact SD-CD1 4.2Å; M71-L73 HydrophobicContact SD-CD2 4.14Å; M71-L73 HydrophobicContact SD-CG 4.2Å; M71-F90 CarbonylContact O-C 3.58Å; M71-F90 WeakPolarHBondContact O-CA 3.39Å; M71-V91 PolarHBondContact N-O 3.4Å; M71-V91 PolarHBondContact O-N 2.78Å; M71-K93 HydrophobicContact CB-CG 3.98Å; M71-K93 HydrophobicContact CE-CB 4.49Å; M71-K93 HydrophobicContact CE-CG 4.22Å; M71-R97 HydrophobicContact CE-CG 4.22Å; M71-Y108 HydrophobicContact CE-CE1 4.49Å; M71-Y108 HydrophobicContact SD-CE1 4.5Å
72E97.4Very high93.5Very high58 Ų5880 Ų8027%0.27140%0.395SS..EExtended strand (participates in β ladder)trans-80.6133.1170.8-173.1-172.8165.600109.9T88 V89 F90 P109 K114E72-T88 HydrophobicContact CG-CG2 3.48Å; E72-T88 VanDerWaalsContact CG-CG2 3.48Å; E72-T88 WeakPolarHBondContact OE1-CG2 3.37Å; E72-V89 WeakPolarHBondContact CA-O 3.47Å; E72-F90 HydrophobicContact CB-CD1 4.08Å; E72-F90 HydrophobicContact CB-CE1 3.83Å; E72-F90 HydrophobicContact CG-CD1 4.49Å; E72-F90 HydrophobicContact CG-CE1 3.99Å; E72-F90 HydrophobicContact CG-CZ 4.29Å; E72-P109 HydrophobicContact CB-CG 4.04Å; E72-P109 HydrophobicContact CG-CB 4.08Å; E72-P109 HydrophobicContact CG-CG 3.9Å; E72-P109 VanDerWaalsContact O-CD 3.32Å; E72-P109 WeakPolarHBondContact O-CD 3.43Å; E72-P109 WeakPolarHBondContact O-CG 3.43Å; E72-K114 WeakPolarHBondContact OE1-CE 3.44Å; E72-K114 IonicContact OE1-NZ 2.83Å; E72-K114 PolarHBondContact OE1-NZ 3Å; E72-K114 IonicContact OE2-NZ 2.91Å
73L97.8Very high93.4Very high0 Ų079.5 Ų79.50%040%0.397CS..EExtended strand (participates in β ladder)trans-143.5152.9175.4-69.1176.3000110M71 T88 V89 V91 L100 L101 A106 Y108M71-L73 HydrophobicContact CG-CD2 4.31Å; M71-L73 HydrophobicContact CG-CG 4.1Å; M71-L73 HydrophobicContact SD-CD1 4.2Å; M71-L73 HydrophobicContact SD-CD2 4.14Å; M71-L73 HydrophobicContact SD-CG 4.2Å; L73-T88 CarbonylContact O-C 3.46Å; L73-T88 WeakPolarHBondContact O-CA 3.48Å; L73-V89 HydrophobicContact CB-CG2 4.34Å; L73-V89 PolarHBondContact N-O 3.04Å; L73-V89 WeakPolarHBondContact O-CG2 3.44Å; L73-V89 PolarHBondContact O-N 2.88Å; L73-V91 HydrophobicContact CD1-CG2 3.97Å; L73-L100 HydrophobicContact CD1-CB 4.26Å; L73-L100 HydrophobicContact CD1-CD1 4Å; L73-L101 HydrophobicContact CD1-CG 4.36Å; L73-L101 HydrophobicContact CD2-CD1 4.31Å; L73-L101 HydrophobicContact CD2-CD2 3.95Å; L73-L101 HydrophobicContact CD2-CG 4.28Å; L73-A106 HydrophobicContact CB-CB 4.09Å; L73-A106 HydrophobicContact CD1-CB 4.22Å; L73-Y108 HydrophobicContact CD2-CD1 3.99Å; L73-Y108 HydrophobicContact CD2-CE1 4.33Å
74I97.6Very high93.3Very high2 Ų278.3 Ų78.31%0.0139%0.394CS..EExtended strand (participates in β ladder)trans-104.5126.4173-55.5171.9000108.5D87 A106 V107 P109 N113 K114 F117I74-D87 WeakPolarHBondContact CA-O 3.27Å; I74-A106 CarbonylContact O-C 3.53Å; I74-A106 WeakPolarHBondContact O-CA 3.49Å; I74-A106 WeakPolarHBondContact O-CB 3.39Å; I74-V107 PolarHBondContact N-O 3.38Å; I74-V107 PolarHBondContact O-N 3.14Å; I74-P109 HydrophobicContact CD1-CB 4.22Å; I74-P109 HydrophobicContact CG1-CB 4.16Å; I74-N113 HydrophobicContact CD1-CB 4.37Å; I74-K114 HydrophobicContact CD1-CG 3.77Å; I74-F117 HydrophobicContact CB-CD2 4.37Å; I74-F117 HydrophobicContact CB-CE2 4.48Å; I74-F117 HydrophobicContact CD1-CD2 4.2Å; I74-F117 HydrophobicContact CG2-CB 4.42Å; I74-F117 HydrophobicContact CG2-CD1 4.43Å; I74-F117 HydrophobicContact CG2-CD2 3.57Å; I74-F117 HydrophobicContact CG2-CE2 3.9Å; I74-F117 HydrophobicContact CG2-CG 3.89Å; I74-F117 HydrophobicContact CG2-CZ 4.46Å
75L97.3Very high93.4Very high0 Ų079.1 Ų79.10%039%0.394CS..EExtended strand (participates in β ladder)trans-76.2131.5-179.3-65.8-179.2000111.3V79 L82 G84 G86 D87 V89 L100 A106L75-V79 HydrophobicContact CD2-CG2 4.24Å; L75-L82 HydrophobicContact CD1-CB 4.14Å; L75-G84 WeakPolarHBondContact CB-O 3.42Å; L75-G86 PolarHBondContact O-N 2.96Å; L75-D87 PolarHBondContact N-O 3.23Å; L75-V89 HydrophobicContact CD1-CG1 3.9Å; L75-V89 HydrophobicContact CD1-CG2 4.48Å; L75-V89 HydrophobicContact CD2-CG2 4.01Å; L75-V89 HydrophobicContact CG-CG1 4.15Å; L75-V89 HydrophobicContact CG-CG2 4Å; L75-L100 HydrophobicContact CD2-CD1 4.42Å; L75-A106 HydrophobicContact CD2-CB 4.08Å
76T95.4Very high93.4Very high18 Ų1873.2 Ų73.211%0.1137%0.373CS..SBendtrans-88.8-24.9173.7550000111.8R85 G104 L105 V107 F117T76-R85 VanDerWaalsContact O-CD 3.23Å; T76-R85 WeakPolarHBondContact O-CD 3.42Å; T76-R85 WeakPolarHBondContact O-CG 3.41Å; T76-R85 PolarHBondContact O-NH1 3.46Å; T76-G104 PolarHBondContact OG1-O 3.5Å; T76-L105 PolarHBondContact N-O 3.21Å; T76-L105 WeakPolarHBondContact OG1-CA 3.26Å; T76-L105 PolarHBondContact OG1-O 2.93Å; T76-L105 VanDerWaalsContact OG1-O 3.06Å; T76-V107 HydrophobicContact CG2-CB 4.49Å; T76-V107 HydrophobicContact CG2-CG2 3.5Å; T76-V107 VanDerWaalsContact CG2-CG2 3.5Å; T76-F117 HydrophobicContact CG2-CZ 4.12Å
77Q92.9Very high93.6Very high110 Ų11075 Ų7551%0.51438%0.377SS..SBendtrans-132.6158.7-178.8-62.6-177.412.400109.4V79 L105Q77-V79 PolarHBondContact O-N 2.89Å; Q77-L105 HydrophobicContact CB-CD2 4.27Å
78T91.2Very high93.8Very high80 Ų8072.4 Ų72.449%0.49136%0.359SS..  trans-68.8116173.7-59.60000109.3G83 R136T78-G83 WeakPolarHBondContact CA-O 3.48Å; T78-R136 HydrophobicContact CG2-CB 4.22Å
79V92.3Very high94.1Very high18 Ų1864.3 Ų64.311%0.10933%0.325CS..BIsolated β-bridgetrans-110.9132.6178.8-176.10000109.5L75 Q77 K81 L82 G83 L100 L105L75-V79 HydrophobicContact CD2-CG2 4.24Å; Q77-V79 PolarHBondContact O-N 2.89Å; V79-K81 PolarHBondContact O-N 3.49Å; V79-L82 HydrophobicContact CB-CB 4.26Å; V79-L82 HydrophobicContact CB-CD1 4.28Å; V79-L82 HydrophobicContact CG1-CB 4.41Å; V79-L82 HydrophobicContact CG1-CD1 3.82Å; V79-L82 HydrophobicContact CG1-CG 4.34Å; V79-L82 PolarHBondContact O-N 3.4Å; V79-G83 PolarHBondContact N-O 3.15Å; V79-G83 PolarHBondContact O-N 2.92Å; V79-L100 HydrophobicContact CG1-CD2 4.47Å; V79-L100 HydrophobicContact CG2-CD2 4.45Å; V79-L105 HydrophobicContact CG2-CB 4.11Å; V79-L105 HydrophobicContact CG2-CD1 4.19Å
80E89.8Confident94.3Very high135 Ų13563.7 Ų63.763%0.63132%0.321SS*.THydrogen-bonded Turntrans-57.6135.9-177.8-45.2-159.8132.600112.3L82 R136E80-L82 PolarHBondContact O-N 3.45Å; E80-R136 VanDerWaalsContact CG-NH1 3.31Å; E80-R136 IonicContact OE1-NH1 3.51Å
81K90.1Very high94.3Very high208 Ų20857.3 Ų57.390%0.90429%0.294SS*.THydrogen-bonded Turntrans63.7-1.5179.3-51.7176.6179.5177.30115.3V79V79-K81 PolarHBondContact O-N 3.49Å
82L92.5Very high94.3Very high69 Ų6963.1 Ų63.136%0.36132%0.318SS..THydrogen-bonded Turntrans-105.5-56.2177.4-69.7-179.5000112L75 V79 E80 V91 L100L75-L82 HydrophobicContact CD1-CB 4.14Å; V79-L82 HydrophobicContact CB-CB 4.26Å; V79-L82 HydrophobicContact CB-CD1 4.28Å; V79-L82 HydrophobicContact CG1-CB 4.41Å; V79-L82 HydrophobicContact CG1-CD1 3.82Å; V79-L82 HydrophobicContact CG1-CG 4.34Å; V79-L82 PolarHBondContact O-N 3.4Å; E80-L82 PolarHBondContact O-N 3.45Å; L82-V91 HydrophobicContact CD2-CG1 4.06Å; L82-L100 HydrophobicContact CD1-CD1 4.06Å; L82-L100 HydrophobicContact CD1-CD2 3.95Å
83G92.7Very high94.2Very high21 Ų2164 Ų6422%0.21632%0.321CS..BIsolated β-bridgetrans165.3178.6-174.700000113.9T78 V79T78-G83 WeakPolarHBondContact CA-O 3.48Å; V79-G83 PolarHBondContact N-O 3.15Å; V79-G83 PolarHBondContact O-N 2.92Å
84G90.8Very high94Very high21 Ų2167.1 Ų67.122%0.21634%0.343CS..  trans-85173.8173.800000112.6L75 D87L75-G84 WeakPolarHBondContact CB-O 3.42Å; G84-D87 PolarHBondContact N-OD2 3.37Å; G84-D87 WeakPolarHBondContact O-CB 3.29Å; G84-D87 PolarHBondContact O-N 3.06Å
85R91.4Very high93.9Very high119 Ų11970.6 Ų70.645%0.44936%0.361SS..THydrogen-bonded Turntrans-59.5134.7169.1171174.2178.191.84.1110.4T76 D87 E120T76-R85 VanDerWaalsContact O-CD 3.23Å; T76-R85 WeakPolarHBondContact O-CD 3.42Å; T76-R85 WeakPolarHBondContact O-CG 3.41Å; T76-R85 PolarHBondContact O-NH1 3.46Å; R85-D87 VanDerWaalsContact C-N 3.35Å; R85-E120 IonicContact CZ-OE1 3.7Å; R85-E120 VanDerWaalsContact CZ-OE1 3.23Å; R85-E120 IonicContact CZ-OE2 2.79Å; R85-E120 IonicContact NE-OE1 3.23Å; R85-E120 PolarHBondContact NE-OE1 3.03Å; R85-E120 IonicContact NE-OE2 2.76Å; R85-E120 VanDerWaalsContact NH2-CD 3.28Å; R85-E120 IonicContact NH2-OE1 3.73Å; R85-E120 PolarHBondContact NH2-OE1 2.96Å; R85-E120 IonicContact NH2-OE2 3.58Å; R85-E120 PolarHBondContact NH2-OE2 3.23Å
86G92.5Very high93.8Very high21 Ų2170.6 Ų70.622%0.21636%0.361CS..THydrogen-bonded Turntrans90-11179.900000114.6L75L75-G86 PolarHBondContact O-N 2.96Å
87D94.9Very high93.8Very high75 Ų7575.8 Ų75.840%0.40138%0.379SS..  trans-74.2140.1-178-69.6-19.8000111.9I74 L75 G84 R85I74-D87 WeakPolarHBondContact CA-O 3.27Å; L75-D87 PolarHBondContact N-O 3.23Å; G84-D87 PolarHBondContact N-OD2 3.37Å; G84-D87 WeakPolarHBondContact O-CB 3.29Å; G84-D87 PolarHBondContact O-N 3.06Å; R85-D87 VanDerWaalsContact C-N 3.35Å
88T96.4Very high93.9Very high67 Ų6776.7 Ų76.741%0.41139%0.387SS..EExtended strand (participates in β ladder)trans-89.9121172.2-58.60000110E72 L73E72-T88 HydrophobicContact CG-CG2 3.48Å; E72-T88 VanDerWaalsContact CG-CG2 3.48Å; E72-T88 WeakPolarHBondContact OE1-CG2 3.37Å; L73-T88 CarbonylContact O-C 3.46Å; L73-T88 WeakPolarHBondContact O-CA 3.48Å
89V96.9Very high94.1Very high16 Ų1678 Ų7810%0.09739%0.386CS..EExtended strand (participates in β ladder)trans-122.5142.7-174.1-62.90000112.5E72 L73 L75 V91E72-V89 WeakPolarHBondContact CA-O 3.47Å; L73-V89 HydrophobicContact CB-CG2 4.34Å; L73-V89 PolarHBondContact N-O 3.04Å; L73-V89 WeakPolarHBondContact O-CG2 3.44Å; L73-V89 PolarHBondContact O-N 2.88Å; L75-V89 HydrophobicContact CD1-CG1 3.9Å; L75-V89 HydrophobicContact CD1-CG2 4.48Å; L75-V89 HydrophobicContact CD2-CG2 4.01Å; L75-V89 HydrophobicContact CG-CG1 4.15Å; L75-V89 HydrophobicContact CG-CG2 4Å; V89-V91 HydrophobicContact CB-CG1 4.37Å; V89-V91 HydrophobicContact CG2-CG1 4.04Å
90F97.6Very high94.3Very high130 Ų13077.1 Ų77.157%0.5738%0.38SS*.EExtended strand (participates in β ladder)trans-104.1101.1175.6-65.7-83.1000111K70 M71 E72K70-F90 HydrophobicContact CB-CB 4.16Å; K70-F90 HydrophobicContact CD-CB 4.2Å; M71-F90 CarbonylContact O-C 3.58Å; M71-F90 WeakPolarHBondContact O-CA 3.39Å; E72-F90 HydrophobicContact CB-CD1 4.08Å; E72-F90 HydrophobicContact CB-CE1 3.83Å; E72-F90 HydrophobicContact CG-CD1 4.49Å; E72-F90 HydrophobicContact CG-CE1 3.99Å; E72-F90 HydrophobicContact CG-CZ 4.29Å
91V96.6Very high94.6Very high11 Ų1172.6 Ų72.67%0.06736%0.36CS..EExtended strand (participates in β ladder)trans-114.2164.8-173.9-62.10000112.6K70 M71 L73 L82 V89 L100K70-V91 CarbonylContact C-O 3.44Å; K70-V91 WeakPolarHBondContact CA-O 3.49Å; M71-V91 PolarHBondContact N-O 3.4Å; M71-V91 PolarHBondContact O-N 2.78Å; L73-V91 HydrophobicContact CD1-CG2 3.97Å; L82-V91 HydrophobicContact CD2-CG1 4.06Å; V89-V91 HydrophobicContact CB-CG1 4.37Å; V89-V91 HydrophobicContact CG2-CG1 4.04Å; V91-L100 HydrophobicContact CG1-CD1 4.27Å; V91-L100 HydrophobicContact CG2-CD1 4.19Å
92K96.3Very high94.9Very high146 Ų14666.3 Ų66.364%0.63535%0.347SS*.EExtended strand (participates in β ladder)trans-65139169.9-68.6180179.7175.70109.8S94 I95 G96K92-S94 PolarHBondContact O-N 2.96Å; K92-I95 HydrophobicContact CB-CD1 4.45Å; K92-I95 PolarHBondContact O-N 3.24Å; K92-G96 PolarHBondContact O-N 2.89Å
93K94.8Very high95.1Very high76 Ų7668.8 Ų68.833%0.3336%0.357SS..Hα-helixtrans-52.4-32-179.8-68.8178.5178.7176.30113.5E69 M71 R97E69-K93 WeakPolarHBondContact O-CE 3.45Å; M71-K93 HydrophobicContact CB-CG 3.98Å; M71-K93 HydrophobicContact CE-CB 4.49Å; M71-K93 HydrophobicContact CE-CG 4.22Å; K93-R97 WeakPolarHBondContact O-CG 3.29Å; K93-R97 PolarHBondContact O-N 3.41Å; K93-R97 VanDerWaalsContact O-N 3.13Å
94S93.5Very high95.2Very high66 Ų6669.7 Ų69.746%0.46237%0.366SS..Hα-helixtrans-67.4-45.6176.354.30000113.1K92 N98K92-S94 PolarHBondContact O-N 2.96Å; S94-N98 VanDerWaalsContact O-CB 3.29Å; S94-N98 WeakPolarHBondContact O-CB 3.34Å; S94-N98 PolarHBondContact O-N 3.47Å
95I95.6Very high95.5Very high75 Ų7569.9 Ų69.939%0.38536%0.362SS..Hα-helixtrans-67.5-42.8178.6-62.1174.3000109.9K92 K99 L100K92-I95 HydrophobicContact CB-CD1 4.45Å; K92-I95 PolarHBondContact O-N 3.24Å; I95-K99 HydrophobicContact CG2-CB 4.5Å; I95-K99 WeakPolarHBondContact O-CB 3.31Å; I95-K99 PolarHBondContact O-N 3.26Å; I95-L100 HydrophobicContact CG2-CG 4.44Å; I95-L100 PolarHBondContact O-N 3.39Å; I95-L100 VanDerWaalsContact O-N 3.12Å
96G96.3Very high95.8Very high0 Ų064.4 Ų64.40%034%0.342CS..Iπ-helixtrans-56.8-53177.300000112.4K92 L100 L101K92-G96 PolarHBondContact O-N 2.89Å; G96-L100 PolarHBondContact O-N 2.97Å; G96-L101 WeakPolarHBondContact O-CB 3.29Å; G96-L101 VanDerWaalsContact O-CG 3.31Å; G96-L101 WeakPolarHBondContact O-CG 3.42Å; G96-L101 PolarHBondContact O-N 3.17Å
97R94.7Very high96.1Very high128 Ų12865.8 Ų65.848%0.48335%0.346SS..Iπ-helixtrans-72.1-49.8-177.1-65.2179.6-167.6125.5-1.7113.6M71 K93 A102M71-R97 HydrophobicContact CE-CG 4.22Å; K93-R97 WeakPolarHBondContact O-CG 3.29Å; K93-R97 PolarHBondContact O-N 3.41Å; K93-R97 VanDerWaalsContact O-N 3.13Å; R97-A102 PolarHBondContact O-N 3.04Å
98N95.1Very high96.2Very high129 Ų12968.2 Ų68.269%0.6935%0.351SS*.Iπ-helixtrans-83.2-27.8-168.6-61.6-6.7000113.1S94 A102S94-N98 VanDerWaalsContact O-CB 3.29Å; S94-N98 WeakPolarHBondContact O-CB 3.34Å; S94-N98 PolarHBondContact O-N 3.47Å; N98-A102 WeakPolarHBondContact O-CB 3.3Å
99K95.5Very high96.3Very high107 Ų10766.6 Ų66.647%0.46534%0.342SS..Iπ-helixtrans-108.3-64.3-178.1-172178.1179.6179.10111.1I95 Q103I95-K99 HydrophobicContact CG2-CB 4.5Å; I95-K99 WeakPolarHBondContact O-CB 3.31Å; I95-K99 PolarHBondContact O-N 3.26Å; K99-Q103 WeakPolarHBondContact O-CB 3.29Å; K99-Q103 WeakPolarHBondContact O-CG 3.42Å; K99-Q103 PolarHBondContact O-N 2.92Å
100L96.9Very high96.3Very high0 Ų067.5 Ų67.50%035%0.349CS..Iπ-helixtrans-69.7-50.8-167.3-60.3178.7000113L73 L75 V79 L82 V91 I95 G96 G104 L105 A106L73-L100 HydrophobicContact CD1-CB 4.26Å; L73-L100 HydrophobicContact CD1-CD1 4Å; L75-L100 HydrophobicContact CD2-CD1 4.42Å; V79-L100 HydrophobicContact CG1-CD2 4.47Å; V79-L100 HydrophobicContact CG2-CD2 4.45Å; L82-L100 HydrophobicContact CD1-CD1 4.06Å; L82-L100 HydrophobicContact CD1-CD2 3.95Å; V91-L100 HydrophobicContact CG1-CD1 4.27Å; V91-L100 HydrophobicContact CG2-CD1 4.19Å; I95-L100 HydrophobicContact CG2-CG 4.44Å; I95-L100 PolarHBondContact O-N 3.39Å; I95-L100 VanDerWaalsContact O-N 3.12Å; G96-L100 PolarHBondContact O-N 2.97Å; L100-G104 PolarHBondContact O-N 2.99Å; L100-L105 HydrophobicContact CD2-CB 4.19Å; L100-L105 HydrophobicContact CD2-CD1 4.32Å; L100-L105 PolarHBondContact O-N 2.66Å; L100-A106 HydrophobicContact CB-CB 3.82Å; L100-A106 HydrophobicContact CD1-CB 4.48Å; L100-A106 PolarHBondContact O-N 3.19Å
101L96.3Very high96.3Very high40 Ų4065.9 Ų65.921%0.20935%0.351CS..Iπ-helixtrans-71.3-43.8179.9-68.3173.2000111.5L73 G96 Q103 G104 A106 Y108L73-L101 HydrophobicContact CD1-CG 4.36Å; L73-L101 HydrophobicContact CD2-CD1 4.31Å; L73-L101 HydrophobicContact CD2-CD2 3.95Å; L73-L101 HydrophobicContact CD2-CG 4.28Å; G96-L101 WeakPolarHBondContact O-CB 3.29Å; G96-L101 VanDerWaalsContact O-CG 3.31Å; G96-L101 WeakPolarHBondContact O-CG 3.42Å; G96-L101 PolarHBondContact O-N 3.17Å; L101-Q103 VanDerWaalsContact C-N 3.26Å; L101-Q103 PolarHBondContact O-N 2.93Å; L101-G104 PolarHBondContact O-N 3.12Å; L101-G104 VanDerWaalsContact O-N 3.09Å; L101-A106 WeakPolarHBondContact CD2-O 3.33Å; L101-Y108 HydrophobicContact CD1-CE1 3.84Å; L101-Y108 HydrophobicContact CD1-CE2 3.9Å; L101-Y108 VanDerWaalsContact CD1-CZ 3.42Å; L101-Y108 VanDerWaalsContact CD1-OH 3.32Å; L101-Y108 WeakPolarHBondContact CD1-OH 3.17Å; L101-Y108 HydrophobicContact CD2-CD2 4.36Å; L101-Y108 HydrophobicContact CD2-CE2 4.23Å
102A95.3Very high96.4Very high76 Ų7671.9 Ų71.963%0.62838%0.378SS*.THydrogen-bonded Turntrans-60.7-34.9179.100000113R97 N98R97-A102 PolarHBondContact O-N 3.04Å; N98-A102 WeakPolarHBondContact O-CB 3.3Å
103Q96.7Very high96.4Very high120 Ų12066.7 Ų66.756%0.56136%0.358SS*.THydrogen-bonded Turntrans-90.7-0.6177.7-63.4176.7-22.600113.3K99 L101 L105K99-Q103 WeakPolarHBondContact O-CB 3.29Å; K99-Q103 WeakPolarHBondContact O-CG 3.42Å; K99-Q103 PolarHBondContact O-N 2.92Å; L101-Q103 VanDerWaalsContact C-N 3.26Å; L101-Q103 PolarHBondContact O-N 2.93Å; Q103-L105 HydrophobicContact CB-CD1 4.04Å; Q103-L105 HydrophobicContact CB-CG 3.84Å; Q103-L105 PolarHBondContact O-N 3.16Å; Q103-L105 VanDerWaalsContact OE1-CD1 3.26Å
104G96.2Very high96.5Very high40 Ų4067.3 Ų67.341%0.41236%0.36SS..THydrogen-bonded Turntrans67.817.7-17700000114.8T76 L100 L101 A106T76-G104 PolarHBondContact OG1-O 3.5Å; L100-G104 PolarHBondContact O-N 2.99Å; L101-G104 PolarHBondContact O-N 3.12Å; L101-G104 VanDerWaalsContact O-N 3.09Å; G104-A106 VanDerWaalsContact C-N 3.27Å
105L97Very high96.6Very high26 Ų2669.9 Ų69.914%0.13637%0.365CS..SBendtrans-78.8-12.1179.1-60.9176.8000113.1T76 Q77 V79 L100 Q103T76-L105 PolarHBondContact N-O 3.21Å; T76-L105 WeakPolarHBondContact OG1-CA 3.26Å; T76-L105 PolarHBondContact OG1-O 2.93Å; T76-L105 VanDerWaalsContact OG1-O 3.06Å; Q77-L105 HydrophobicContact CB-CD2 4.27Å; V79-L105 HydrophobicContact CG2-CB 4.11Å; V79-L105 HydrophobicContact CG2-CD1 4.19Å; L100-L105 HydrophobicContact CD2-CB 4.19Å; L100-L105 HydrophobicContact CD2-CD1 4.32Å; L100-L105 PolarHBondContact O-N 2.66Å; Q103-L105 HydrophobicContact CB-CD1 4.04Å; Q103-L105 HydrophobicContact CB-CG 3.84Å; Q103-L105 PolarHBondContact O-N 3.16Å; Q103-L105 VanDerWaalsContact OE1-CD1 3.26Å
106A97.7Very high96.7Very high4 Ų470.8 Ų70.83%0.03337%0.37CS..EExtended strand (participates in β ladder)trans-147.8160.8176.900000111L73 I74 L75 L100 L101 G104L73-A106 HydrophobicContact CB-CB 4.09Å; L73-A106 HydrophobicContact CD1-CB 4.22Å; I74-A106 CarbonylContact O-C 3.53Å; I74-A106 WeakPolarHBondContact O-CA 3.49Å; I74-A106 WeakPolarHBondContact O-CB 3.39Å; L75-A106 HydrophobicContact CD2-CB 4.08Å; L100-A106 HydrophobicContact CB-CB 3.82Å; L100-A106 HydrophobicContact CD1-CB 4.48Å; L100-A106 PolarHBondContact O-N 3.19Å; L101-A106 WeakPolarHBondContact CD2-O 3.33Å; G104-A106 VanDerWaalsContact C-N 3.27Å
107V97.9Very high96.6Very high49 Ų4971.9 Ų71.930%0.29737%0.374SS..EExtended strand (participates in β ladder)trans-127.6154.5175.3-175.40000109.4I74 T76 N113I74-V107 PolarHBondContact N-O 3.38Å; I74-V107 PolarHBondContact O-N 3.14Å; T76-V107 HydrophobicContact CG2-CB 4.49Å; T76-V107 HydrophobicContact CG2-CG2 3.5Å; T76-V107 VanDerWaalsContact CG2-CG2 3.5Å; V107-N113 WeakPolarHBondContact CG1-ND2 3.46Å
108Y97.8Very high96.6Very high127 Ų12768.6 Ų68.650%0.49838%0.375SS..  trans-60.4144.8173.1-73.1-70.1000112.2M71 L73 L101 S110 N113M71-Y108 HydrophobicContact CE-CE1 4.49Å; M71-Y108 HydrophobicContact SD-CE1 4.5Å; L73-Y108 HydrophobicContact CD2-CD1 3.99Å; L73-Y108 HydrophobicContact CD2-CE1 4.33Å; L101-Y108 HydrophobicContact CD1-CE1 3.84Å; L101-Y108 HydrophobicContact CD1-CE2 3.9Å; L101-Y108 VanDerWaalsContact CD1-CZ 3.42Å; L101-Y108 VanDerWaalsContact CD1-OH 3.32Å; L101-Y108 WeakPolarHBondContact CD1-OH 3.17Å; L101-Y108 HydrophobicContact CD2-CD2 4.36Å; L101-Y108 HydrophobicContact CD2-CE2 4.23Å; Y108-S110 PolarHBondContact O-N 2.99Å; Y108-N113 PolarHBondContact O-ND2 2.81Å
109P97.4Very high96.5Very high33 Ų3368.4 Ų68.421%0.21437%0.369CS..  trans-80.657.8-177.636.2-38.3000111.8E72 I74 K114E72-P109 HydrophobicContact CB-CG 4.04Å; E72-P109 HydrophobicContact CG-CB 4.08Å; E72-P109 HydrophobicContact CG-CG 3.9Å; E72-P109 VanDerWaalsContact O-CD 3.32Å; E72-P109 WeakPolarHBondContact O-CD 3.43Å; E72-P109 WeakPolarHBondContact O-CG 3.43Å; I74-P109 HydrophobicContact CD1-CB 4.22Å; I74-P109 HydrophobicContact CG1-CB 4.16Å; P109-K114 WeakPolarHBondContact O-CE 3.4Å
110S97.7Very high96.2Very high35 Ų3565.9 Ų65.925%0.24536%0.359CS..  trans-65.8153.4171.576.10000110.2Y108 E112 N113 K114Y108-S110 PolarHBondContact O-N 2.99Å; S110-E112 PolarHBondContact O-N 3.15Å; S110-N113 PolarHBondContact O-N 3.27Å; S110-N113 WeakPolarHBondContact OG-CB 3.47Å; S110-N113 PolarHBondContact OG-N 3.5Å; S110-N113 PolarHBondContact OG-ND2 2.89Å; S110-K114 WeakPolarHBondContact O-CG 3.46Å; S110-K114 PolarHBondContact O-N 2.91Å
111P97.7Very high95.8Very high95 Ų9569.8 Ų69.862%0.61738%0.38SS*.Hα-helixtrans-58.2-37.7178.223.1-33.4000112.1K114 Q115P111-K114 PolarHBondContact O-N 2.67Å; P111-Q115 WeakPolarHBondContact O-CG 3.35Å; P111-Q115 PolarHBondContact O-N 2.84Å; P111-Q115 VanDerWaalsContact O-N 3.1Å
112E97.5Very high95.4Very high138 Ų13875.5 Ų75.565%0.64540%0.399SS*.Hα-helixtrans-62.3-48.4175.1-63.4173.3-177.100111.6S110 K114 Q115 I116S110-E112 PolarHBondContact O-N 3.15Å; E112-K114 VanDerWaalsContact C-N 3.32Å; E112-K114 PolarHBondContact O-N 3.36Å; E112-Q115 WeakPolarHBondContact O-CB 3.27Å; E112-Q115 PolarHBondContact O-N 2.94Å; E112-Q115 VanDerWaalsContact O-N 3.16Å; E112-I116 VanDerWaalsContact O-CG1 3.32Å; E112-I116 WeakPolarHBondContact O-CG1 3.41Å; E112-I116 PolarHBondContact O-N 3.06Å
113N96.8Very high95Very high37 Ų3777.6 Ų77.620%0.19840%0.399CS..Hα-helixtrans-63.4-40.3178.8-68.4-22.3000111.4I74 V107 Y108 S110 Q115 I116 F117I74-N113 HydrophobicContact CD1-CB 4.37Å; V107-N113 WeakPolarHBondContact CG1-ND2 3.46Å; Y108-N113 PolarHBondContact O-ND2 2.81Å; S110-N113 PolarHBondContact O-N 3.27Å; S110-N113 WeakPolarHBondContact OG-CB 3.47Å; S110-N113 PolarHBondContact OG-N 3.5Å; S110-N113 PolarHBondContact OG-ND2 2.89Å; N113-Q115 VanDerWaalsContact C-N 3.28Å; N113-Q115 PolarHBondContact O-N 3.5Å; N113-I116 PolarHBondContact O-N 2.82Å; N113-F117 HydrophobicContact CB-CD2 4.48Å; N113-F117 WeakPolarHBondContact O-CD2 3.27Å; N113-F117 PolarHBondContact O-N 2.88Å
114K96.3Very high94.3Very high88 Ų8876.1 Ų76.138%0.38339%0.394SS..Hα-helixtrans-58.7-41.5175.6-73.5-175.8-177.8-165.40111.7E72 I74 P109 S110 P111 E112 A118E72-K114 WeakPolarHBondContact OE1-CE 3.44Å; E72-K114 IonicContact OE1-NZ 2.83Å; E72-K114 PolarHBondContact OE1-NZ 3Å; E72-K114 IonicContact OE2-NZ 2.91Å; I74-K114 HydrophobicContact CD1-CG 3.77Å; P109-K114 WeakPolarHBondContact O-CE 3.4Å; S110-K114 WeakPolarHBondContact O-CG 3.46Å; S110-K114 PolarHBondContact O-N 2.91Å; P111-K114 PolarHBondContact O-N 2.67Å; E112-K114 VanDerWaalsContact C-N 3.32Å; E112-K114 PolarHBondContact O-N 3.36Å; K114-A118 WeakPolarHBondContact O-CB 3.5Å; K114-A118 PolarHBondContact O-N 2.99Å
115Q97Very high93.5Very high121 Ų12183.2 Ų83.257%0.56541%0.408SS*.Hα-helixtrans-65.8-48.6177-70.5170.47.800111.3P111 E112 N113 F117 A118 E119P111-Q115 WeakPolarHBondContact O-CG 3.35Å; P111-Q115 PolarHBondContact O-N 2.84Å; P111-Q115 VanDerWaalsContact O-N 3.1Å; E112-Q115 WeakPolarHBondContact O-CB 3.27Å; E112-Q115 PolarHBondContact O-N 2.94Å; E112-Q115 VanDerWaalsContact O-N 3.16Å; N113-Q115 VanDerWaalsContact C-N 3.28Å; N113-Q115 PolarHBondContact O-N 3.5Å; Q115-F117 PolarHBondContact O-N 3.17Å; Q115-A118 PolarHBondContact O-N 3.39Å; Q115-A118 VanDerWaalsContact O-N 3.14Å; Q115-E119 WeakPolarHBondContact O-CG 3.44Å; Q115-E119 PolarHBondContact O-N 3.44Å
116I96Very high93Very high94 Ų9487.8 Ų87.848%0.48243%0.429SS..Hα-helixtrans-56.1-49.5179-65.8163.5000111.1E112 N113 A118 E119 E120E112-I116 VanDerWaalsContact O-CG1 3.32Å; E112-I116 WeakPolarHBondContact O-CG1 3.41Å; E112-I116 PolarHBondContact O-N 3.06Å; N113-I116 PolarHBondContact O-N 2.82Å; I116-A118 PolarHBondContact O-N 3.26Å; I116-E119 PolarHBondContact O-N 3.46Å; I116-E120 WeakPolarHBondContact O-CB 3.21Å; I116-E120 PolarHBondContact O-N 3.36Å
117F95.1Very high91.9Very high23 Ų2388.9 Ų88.910%0.10144%0.441CS..Hα-helixtrans-70.6-30.6179.8-75.3-68.8000112.9I74 T76 N113 Q115 L121I74-F117 HydrophobicContact CB-CD2 4.37Å; I74-F117 HydrophobicContact CB-CE2 4.48Å; I74-F117 HydrophobicContact CD1-CD2 4.2Å; I74-F117 HydrophobicContact CG2-CB 4.42Å; I74-F117 HydrophobicContact CG2-CD1 4.43Å; I74-F117 HydrophobicContact CG2-CD2 3.57Å; I74-F117 HydrophobicContact CG2-CE2 3.9Å; I74-F117 HydrophobicContact CG2-CG 3.89Å; I74-F117 HydrophobicContact CG2-CZ 4.46Å; T76-F117 HydrophobicContact CG2-CZ 4.12Å; N113-F117 HydrophobicContact CB-CD2 4.48Å; N113-F117 WeakPolarHBondContact O-CD2 3.27Å; N113-F117 PolarHBondContact O-N 2.88Å; Q115-F117 PolarHBondContact O-N 3.17Å; F117-L121 VanDerWaalsContact O-CB 3.26Å; F117-L121 WeakPolarHBondContact O-CB 3.47Å; F117-L121 PolarHBondContact O-N 2.99Å
118A93.7Very high90.3Very high59 Ų5992.9 Ų92.949%0.48846%0.456SS..Hα-helixtrans-68.6-41.4174.400000111.8K114 Q115 I116 L121 R122K114-A118 WeakPolarHBondContact O-CB 3.5Å; K114-A118 PolarHBondContact O-N 2.99Å; Q115-A118 PolarHBondContact O-N 3.39Å; Q115-A118 VanDerWaalsContact O-N 3.14Å; I116-A118 PolarHBondContact O-N 3.26Å; A118-L121 PolarHBondContact O-N 2.96Å; A118-R122 WeakPolarHBondContact O-CB 3.34Å; A118-R122 PolarHBondContact O-N 3.13Å
119E93.5Very high88.5Confident124 Ų12490.1 Ų90.158%0.57945%0.454SS*.Hα-helixtrans-65.1-45173.6-72.5177.6-177.300111.4Q115 I116 L121 R122 L123Q115-E119 WeakPolarHBondContact O-CG 3.44Å; Q115-E119 PolarHBondContact O-N 3.44Å; I116-E119 PolarHBondContact O-N 3.46Å; E119-L121 VanDerWaalsContact C-N 3.34Å; E119-L121 PolarHBondContact O-N 3.11Å; E119-R122 WeakPolarHBondContact O-CB 3.38Å; E119-R122 PolarHBondContact O-N 3.39Å; E119-L123 WeakPolarHBondContact O-CG 3.44Å; E119-L123 PolarHBondContact O-N 3Å
120E89.9Confident86.7Confident54 Ų5496.4 Ų96.425%0.25248%0.48SS..Hα-helixtrans-57.2-47.9174.2-173.6-178.3173.500111R85 I116 R122 L123 L124R85-E120 IonicContact CZ-OE1 3.7Å; R85-E120 VanDerWaalsContact CZ-OE1 3.23Å; R85-E120 IonicContact CZ-OE2 2.79Å; R85-E120 IonicContact NE-OE1 3.23Å; R85-E120 PolarHBondContact NE-OE1 3.03Å; R85-E120 IonicContact NE-OE2 2.76Å; R85-E120 VanDerWaalsContact NH2-CD 3.28Å; R85-E120 IonicContact NH2-OE1 3.73Å; R85-E120 PolarHBondContact NH2-OE1 2.96Å; R85-E120 IonicContact NH2-OE2 3.58Å; R85-E120 PolarHBondContact NH2-OE2 3.23Å; I116-E120 WeakPolarHBondContact O-CB 3.21Å; I116-E120 PolarHBondContact O-N 3.36Å; E120-R122 VanDerWaalsContact C-N 3.3Å; E120-R122 PolarHBondContact O-N 3.21Å; E120-L123 PolarHBondContact O-N 3.15Å; E120-L124 HydrophobicContact CG-CD1 4.31Å; E120-L124 WeakPolarHBondContact O-CB 3.29Å; E120-L124 VanDerWaalsContact O-CG 3.3Å; E120-L124 WeakPolarHBondContact O-CG 3.45Å; E120-L124 PolarHBondContact O-N 3.24Å
121L87.6Confident85.1Confident83 Ų83102.7 Ų102.744%0.43551%0.506SS..Hα-helixtrans-63.2-37.7178.3-166.778000112.1F117 A118 E119 L124 R125F117-L121 VanDerWaalsContact O-CB 3.26Å; F117-L121 WeakPolarHBondContact O-CB 3.47Å; F117-L121 PolarHBondContact O-N 2.99Å; A118-L121 PolarHBondContact O-N 2.96Å; E119-L121 VanDerWaalsContact C-N 3.34Å; E119-L121 PolarHBondContact O-N 3.11Å; L121-L124 PolarHBondContact O-N 3.01Å; L121-R125 PolarHBondContact O-N 2.73Å
122R89Confident83.8Confident159 Ų159103 Ų10360%0.650%0.495SS*.Hα-helixtrans-63.5-49.6175.8-179.2-178.2175.5-174.2-3.5110.9A118 E119 E120 L124 R125 E126A118-R122 WeakPolarHBondContact O-CB 3.34Å; A118-R122 PolarHBondContact O-N 3.13Å; E119-R122 WeakPolarHBondContact O-CB 3.38Å; E119-R122 PolarHBondContact O-N 3.39Å; E120-R122 VanDerWaalsContact C-N 3.3Å; E120-R122 PolarHBondContact O-N 3.21Å; R122-L124 VanDerWaalsContact C-N 3.3Å; R122-L124 PolarHBondContact O-N 3.03Å; R122-R125 PolarHBondContact O-N 3.21Å; R122-R125 VanDerWaalsContact O-N 3.12Å; R122-E126 HydrophobicContact CG-CG 4.46Å; R122-E126 WeakPolarHBondContact CG-OE1 3.29Å; R122-E126 IonicContact CZ-OE1 3.44Å; R122-E126 IonicContact NE-OE1 3.86Å; R122-E126 PolarHBondContact NE-OE1 2.77Å; R122-E126 IonicContact NE-OE2 3.94Å; R122-E126 IonicContact NH2-OE1 2.8Å; R122-E126 PolarHBondContact NH2-OE1 3.43Å; R122-E126 WeakPolarHBondContact O-CG 3.26Å; R122-E126 PolarHBondContact O-N 3.21Å
123L87.4Confident82.6Confident121 Ų121104.3 Ų104.363%0.63451%0.505SS*.Hα-helixtrans-61.2-38.4177.3-69.7174.8000111.8E119 E120 R125 E126 G127E119-L123 WeakPolarHBondContact O-CG 3.44Å; E119-L123 PolarHBondContact O-N 3Å; E120-L123 PolarHBondContact O-N 3.15Å; L123-R125 VanDerWaalsContact C-N 3.32Å; L123-R125 PolarHBondContact O-N 2.78Å; L123-E126 PolarHBondContact O-N 3.04Å; L123-G127 WeakPolarHBondContact O-CA 3.24Å; L123-G127 PolarHBondContact O-N 3.34Å
124L80.8Confident81.6Confident89 Ų89104 Ų10447%0.46650%0.502SS..Hα-helixtrans-64.8-35.7175.2-73.7173.2000112.9E120 L121 R122 R132E120-L124 HydrophobicContact CG-CD1 4.31Å; E120-L124 WeakPolarHBondContact O-CB 3.29Å; E120-L124 VanDerWaalsContact O-CG 3.3Å; E120-L124 WeakPolarHBondContact O-CG 3.45Å; E120-L124 PolarHBondContact O-N 3.24Å; L121-L124 PolarHBondContact O-N 3.01Å; R122-L124 VanDerWaalsContact C-N 3.3Å; R122-L124 PolarHBondContact O-N 3.03Å; L124-R132 PolarHBondContact O-NE 3.32Å
125R80.5Confident80.9Confident188 Ų188103.9 Ų103.971%0.70951%0.509SS*.Hα-helixtrans-73.7-40177.7-174.9177.6-73.6153.1-1.8111.9L121 R122 L123 R132L121-R125 PolarHBondContact O-N 2.73Å; R122-R125 PolarHBondContact O-N 3.21Å; R122-R125 VanDerWaalsContact O-N 3.12Å; L123-R125 VanDerWaalsContact C-N 3.32Å; L123-R125 PolarHBondContact O-N 2.78Å; R125-R132 PolarHBondContact O-NH2 2.9Å; R125-R132 VanDerWaalsContact O-NH2 3.08Å
126E85.5Confident80.1Confident123 Ų123102.8 Ų102.858%0.57550%0.5SS*.Hα-helixtrans-79.2-29.4179.9-68.4174.7-17500112.6R122 L123R122-E126 HydrophobicContact CG-CG 4.46Å; R122-E126 WeakPolarHBondContact CG-OE1 3.29Å; R122-E126 IonicContact CZ-OE1 3.44Å; R122-E126 IonicContact NE-OE1 3.86Å; R122-E126 PolarHBondContact NE-OE1 2.77Å; R122-E126 IonicContact NE-OE2 3.94Å; R122-E126 IonicContact NH2-OE1 2.8Å; R122-E126 PolarHBondContact NH2-OE1 3.43Å; R122-E126 WeakPolarHBondContact O-CG 3.26Å; R122-E126 PolarHBondContact O-N 3.21Å; L123-E126 PolarHBondContact O-N 3.04Å
127G74.1Confident79.6Confident27 Ų27102.8 Ų102.828%0.27850%0.504SS..SBendtrans-62.5155.3-177.100000114L123 R132L123-G127 WeakPolarHBondContact O-CA 3.24Å; L123-G127 PolarHBondContact O-N 3.34Å; G127-R132 PolarHBondContact O-NH2 2.95Å
128Q64.3Low79.3Confident133 Ų133101.9 Ų101.962%0.62150%0.502SS*.  trans-57.7143178.3-67.6-151.8500111.3E130 Q131Q128-E130 PolarHBondContact O-N 3.38Å; Q128-E130 VanDerWaalsContact O-N 3.1Å; Q128-Q131 PolarHBondContact O-N 3.33Å
129P60.9Low79Confident68 Ų68103.1 Ų103.144%0.44250%0.5SS..G310 helixtrans-57.8-29.1-176.823.7-33.6000112.6Q131 R132 M206P129-Q131 VanDerWaalsContact C-N 3.32Å; P129-Q131 PolarHBondContact O-N 3.39Å; P129-R132 PolarHBondContact O-N 2.96Å; P129-M206 WeakPolarHBondContact O-CE 3.24Å
130E60.5Low78.9Confident165 Ų165102 Ų10277%0.77150%0.496SS*.G310 helixtrans-67.2-24.6-175.7-59-176.3-18000114.6Q128Q128-E130 PolarHBondContact O-N 3.38Å; Q128-E130 VanDerWaalsContact O-N 3.1Å
131Q63.9Low79Confident167 Ų167101.7 Ų101.778%0.7850%0.498SS*.G310 helixtrans-92.5-3.1178.6-74.5177.1-3.800113.5Q128 P129 L133Q128-Q131 PolarHBondContact O-N 3.33Å; P129-Q131 VanDerWaalsContact C-N 3.32Å; P129-Q131 PolarHBondContact O-N 3.39Å; Q131-L133 PolarHBondContact O-N 3.48Å
132R69.6Low79.2Confident103 Ų10398 Ų9839%0.38948%0.479SS..PPolyproline II helixtrans-73.6131.3-179.5-63.1-178.9-172.7159.36.1109.3L124 R125 G127 P129 M206L124-R132 PolarHBondContact O-NE 3.32Å; R125-R132 PolarHBondContact O-NH2 2.9Å; R125-R132 VanDerWaalsContact O-NH2 3.08Å; G127-R132 PolarHBondContact O-NH2 2.95Å; P129-R132 PolarHBondContact O-N 2.96Å; R132-M206 HydrophobicContact CB-CE 3.91Å; R132-M206 HydrophobicContact CB-SD 3.93Å; R132-M206 WeakPolarHBondContact O-CE 3.46Å
133L72.3Confident79.5Confident165 Ų16595.1 Ų95.186%0.86447%0.472SS*.PPolyproline II helixtrans-74.3136.7167.3-64.5176.5000108.4Q131 T135Q131-L133 PolarHBondContact O-N 3.48Å; L133-T135 PolarHBondContact O-N 3.14Å
134Q75.4Confident79.8Confident29 Ų2993.7 Ų93.714%0.13647%0.465CS..PPolyproline II helixtrans-63.2132.8179.3-170.5151.9-68.200110.6G138 L139 V142 D207Q134-G138 PolarHBondContact NE2-O 2.96Å; Q134-L139 HydrophobicContact CB-CD2 3.99Å; Q134-L139 HydrophobicContact CB-CG 4.14Å; Q134-L139 HydrophobicContact CG-CD2 4.16Å; Q134-L139 HydrophobicContact CG-CG 4.13Å; Q134-V142 VanDerWaalsContact NE2-CG2 3.3Å; Q134-D207 PolarHBondContact NE2-OD2 3.34Å; Q134-D207 PolarHBondContact OE1-OD2 3.18Å
135T82.7Confident80.4Confident86 Ų8689.6 Ų89.653%0.52844%0.443SS..PPolyproline II helixtrans-56.8145.8175.1-46.30000110.1L133 T137 G138 L139L133-T135 PolarHBondContact O-N 3.14Å; T135-T137 PolarHBondContact O-N 2.95Å; T135-T137 VanDerWaalsContact O-N 3.14Å; T135-G138 WeakPolarHBondContact O-CA 3.47Å; T135-G138 PolarHBondContact O-N 3.14Å; T135-L139 PolarHBondContact O-N 3.17Å
136R80.6Confident81.1Confident99 Ų9987.6 Ų87.637%0.37444%0.44SS..Hα-helixtrans-48.4-44.3174.8-167.6-17079.7150.77.1112.6T78 E80 G138 L139 M140T78-R136 HydrophobicContact CG2-CB 4.22Å; E80-R136 VanDerWaalsContact CG-NH1 3.31Å; E80-R136 IonicContact OE1-NH1 3.51Å; R136-G138 VanDerWaalsContact C-N 3.32Å; R136-G138 PolarHBondContact O-N 3.22Å; R136-L139 PolarHBondContact O-N 3.16Å; R136-M140 VanDerWaalsContact O-CG 3.29Å; R136-M140 WeakPolarHBondContact O-CG 3.31Å; R136-M140 PolarHBondContact O-N 3.49Å
137T85.3Confident81.5Confident93 Ų9391.6 Ų91.657%0.57145%0.449SS*.Hα-helixtrans-61.7-40.3176.4-49.10000111.7T135 M140 T141T135-T137 PolarHBondContact O-N 2.95Å; T135-T137 VanDerWaalsContact O-N 3.14Å; T137-M140 PolarHBondContact O-N 3.24Å; T137-T141 PolarHBondContact O-N 3.19Å; T137-T141 PolarHBondContact O-OG1 3.46Å
138G87.4Confident82.4Confident5 Ų591.1 Ų91.15%0.05244%0.441CS..Hα-helixtrans-61.9-45.6175.300000112.1Q134 T135 R136 M140 T141 V142Q134-G138 PolarHBondContact NE2-O 2.96Å; T135-G138 WeakPolarHBondContact O-CA 3.47Å; T135-G138 PolarHBondContact O-N 3.14Å; R136-G138 VanDerWaalsContact C-N 3.32Å; R136-G138 PolarHBondContact O-N 3.22Å; G138-M140 PolarHBondContact O-N 2.85Å; G138-T141 WeakPolarHBondContact O-CB 3.33Å; G138-T141 PolarHBondContact O-N 2.91Å; G138-V142 WeakPolarHBondContact O-CG2 3.47Å; G138-V142 PolarHBondContact O-N 3.38Å
139L88.8Confident83.8Confident84 Ų8492.4 Ų92.444%0.4445%0.445SS..Hα-helixtrans-58.6-46.3175.5-67.1173.1000112Q134 T135 R136 T141 V142 E143Q134-L139 HydrophobicContact CB-CD2 3.99Å; Q134-L139 HydrophobicContact CB-CG 4.14Å; Q134-L139 HydrophobicContact CG-CD2 4.16Å; Q134-L139 HydrophobicContact CG-CG 4.13Å; T135-L139 PolarHBondContact O-N 3.17Å; R136-L139 PolarHBondContact O-N 3.16Å; L139-T141 VanDerWaalsContact C-N 3.32Å; L139-T141 PolarHBondContact O-N 3.43Å; L139-V142 PolarHBondContact O-N 3.03Å; L139-E143 PolarHBondContact O-N 2.86Å
140M89.7Confident85.4Confident102 Ų10289.3 Ų89.350%0.50242%0.424SS..Hα-helixtrans-61.1-41.2176-66.8-72.6170.600111.8R136 T137 G138 E143 L144R136-M140 VanDerWaalsContact O-CG 3.29Å; R136-M140 WeakPolarHBondContact O-CG 3.31Å; R136-M140 PolarHBondContact O-N 3.49Å; T137-M140 PolarHBondContact O-N 3.24Å; G138-M140 PolarHBondContact O-N 2.85Å; M140-E143 PolarHBondContact O-N 3.18Å; M140-L144 WeakPolarHBondContact O-CB 3.39Å; M140-L144 PolarHBondContact O-N 3.36Å
141T92.1Very high87Confident47 Ų4787.6 Ų87.629%0.28841%0.414SS..Hα-helixtrans-62.9-43.5174.6-59.40000111.1T137 G138 L139 E143 L144 L145 V203T137-T141 PolarHBondContact O-N 3.19Å; T137-T141 PolarHBondContact O-OG1 3.46Å; G138-T141 WeakPolarHBondContact O-CB 3.33Å; G138-T141 PolarHBondContact O-N 2.91Å; L139-T141 VanDerWaalsContact C-N 3.32Å; L139-T141 PolarHBondContact O-N 3.43Å; T141-E143 PolarHBondContact O-N 3.41Å; T141-L144 WeakPolarHBondContact O-CB 2.77Å; T141-L144 PolarHBondContact O-N 3.47Å; T141-L145 HydrophobicContact CG2-CD1 4.02Å; T141-L145 HydrophobicContact CG2-CG 4.23Å; T141-L145 WeakPolarHBondContact O-CB 3.31Å; T141-L145 VanDerWaalsContact O-CG 3.26Å; T141-L145 WeakPolarHBondContact O-CG 3.44Å; T141-L145 PolarHBondContact O-N 2.95Å; T141-V203 HydrophobicContact CG2-CG2 4.34Å
142V93.4Very high88.4Confident6 Ų679.7 Ų79.74%0.03638%0.377CS..Hα-helixtrans-61-44.3176.9164.50000111.4Q134 G138 L139 L144 L145 K146 V203 D207 V209Q134-V142 VanDerWaalsContact NE2-CG2 3.3Å; G138-V142 WeakPolarHBondContact O-CG2 3.47Å; G138-V142 PolarHBondContact O-N 3.38Å; L139-V142 PolarHBondContact O-N 3.03Å; V142-L144 VanDerWaalsContact C-N 3.34Å; V142-L144 PolarHBondContact O-N 2.88Å; V142-L145 PolarHBondContact O-N 3.13Å; V142-K146 HydrophobicContact CG1-CD 4.18Å; V142-K146 WeakPolarHBondContact O-CB 3.46Å; V142-K146 VanDerWaalsContact O-CG 3.31Å; V142-K146 WeakPolarHBondContact O-CG 3.34Å; V142-K146 PolarHBondContact O-N 3.42Å; V142-V203 HydrophobicContact CG2-CB 3.9Å; V142-V203 HydrophobicContact CG2-CG1 4.26Å; V142-V203 HydrophobicContact CG2-CG2 3.72Å; V142-D207 HydrophobicContact CG2-CB 3.73Å; V142-V209 HydrophobicContact CB-CG2 4.24Å; V142-V209 HydrophobicContact CG1-CG2 3.77Å; V142-V209 HydrophobicContact CG2-CG2 4.01Å
143E93.6Very high89.4Confident97 Ų9778.3 Ų78.345%0.45338%0.377SS..Hα-helixtrans-62.1-41.1175.5-73-179.3-164.800112.6L139 M140 T141 R147L139-E143 PolarHBondContact O-N 2.86Å; M140-E143 PolarHBondContact O-N 3.18Å; T141-E143 PolarHBondContact O-N 3.41Å; E143-R147 PolarHBondContact O-N 3.44Å
144L93.9Very high90.2Very high92 Ų9272.7 Ų72.748%0.48235%0.345SS..Hα-helixtrans-60.4-52.6174.4178.965.9000110.4M140 T141 V142 K146 R147 T148 I177M140-L144 WeakPolarHBondContact O-CB 3.39Å; M140-L144 PolarHBondContact O-N 3.36Å; T141-L144 WeakPolarHBondContact O-CB 2.77Å; T141-L144 PolarHBondContact O-N 3.47Å; V142-L144 VanDerWaalsContact C-N 3.34Å; V142-L144 PolarHBondContact O-N 2.88Å; L144-K146 VanDerWaalsContact C-N 3.31Å; L144-K146 PolarHBondContact O-N 2.8Å; L144-R147 PolarHBondContact O-N 2.95Å; L144-T148 HydrophobicContact CG-CG2 4.41Å; L144-T148 WeakPolarHBondContact O-CG2 3.15Å; L144-T148 PolarHBondContact O-N 3.25Å; L144-I177 HydrophobicContact CD2-CD1 3.84Å; L144-I177 HydrophobicContact CD2-CG1 4.42Å; L144-I177 HydrophobicContact CG-CD1 4.33Å
145L94.3Very high90.7Very high3 Ų375 Ų752%0.01636%0.361CS..Hα-helixtrans-59.2-40.5-178.7-69.5176.4000112T141 V142 R147 T148 I177 I201 V203 V209 I211T141-L145 HydrophobicContact CG2-CD1 4.02Å; T141-L145 HydrophobicContact CG2-CG 4.23Å; T141-L145 WeakPolarHBondContact O-CB 3.31Å; T141-L145 VanDerWaalsContact O-CG 3.26Å; T141-L145 WeakPolarHBondContact O-CG 3.44Å; T141-L145 PolarHBondContact O-N 2.95Å; V142-L145 PolarHBondContact O-N 3.13Å; L145-R147 PolarHBondContact O-N 3.38Å; L145-T148 PolarHBondContact O-N 2.94Å; L145-T148 PolarHBondContact O-OG1 3.07Å; L145-I177 HydrophobicContact CD2-CD1 4.07Å; L145-I201 HydrophobicContact CD1-CB 4.49Å; L145-I201 HydrophobicContact CD1-CG2 4.12Å; L145-V203 HydrophobicContact CD1-CG2 3.7Å; L145-V209 HydrophobicContact CB-CB 4.33Å; L145-V209 HydrophobicContact CB-CG1 3.93Å; L145-I211 HydrophobicContact CB-CD1 4.06Å; L145-I211 HydrophobicContact CD2-CD1 3.8Å; L145-I211 HydrophobicContact CG-CD1 4.37Å
146K94.3Very high90.8Very high146 Ų14676.9 Ų76.964%0.63537%0.367SS*.Hα-helixtrans-58.7-29.6175.8-77.8174.8179.1176.70113.6V142 L144 V209V142-K146 HydrophobicContact CG1-CD 4.18Å; V142-K146 WeakPolarHBondContact O-CB 3.46Å; V142-K146 VanDerWaalsContact O-CG 3.31Å; V142-K146 WeakPolarHBondContact O-CG 3.34Å; V142-K146 PolarHBondContact O-N 3.42Å; L144-K146 VanDerWaalsContact C-N 3.31Å; L144-K146 PolarHBondContact O-N 2.8Å; K146-V209 HydrophobicContact CG-CG1 3.83Å
147R93.8Very high91Very high207 Ų20775 Ų7578%0.78137%0.37SS*.Hα-helixtrans-89.5-14.1178.6-64.6177.4-175.1172.35.5112.8E143 L144 L145E143-R147 PolarHBondContact O-N 3.44Å; L144-R147 PolarHBondContact O-N 2.95Å; L145-R147 PolarHBondContact O-N 3.38Å
148T93.3Very high90.6Very high16 Ų1677.9 Ų77.910%0.09838%0.382CS..  trans-80.4147.4-176.663.90000112.8L144 L145 L175 I177L144-T148 HydrophobicContact CG-CG2 4.41Å; L144-T148 WeakPolarHBondContact O-CG2 3.15Å; L144-T148 PolarHBondContact O-N 3.25Å; L145-T148 PolarHBondContact O-N 2.94Å; L145-T148 PolarHBondContact O-OG1 3.07Å; T148-L175 HydrophobicContact CG2-CD1 4.25Å; T148-I177 HydrophobicContact CG2-CD1 4.47Å
149K94.4Very high90.5Very high161 Ų16184.2 Ų84.270%0.741%0.414SS*.  trans-132130.2169.2-55.9-173.7178.4179.20107.7P212K149-P212 HydrophobicContact CB-CG 4.17Å; K149-P212 HydrophobicContact CD-CG 4.42Å; K149-P212 HydrophobicContact CG-CG 3.81Å
150L94.4Very high90.3Very high2 Ų281.6 Ų81.61%0.0140%0.399CS..EExtended strand (participates in β ladder)trans-101.8116.8-176.5-174.767000110.2I152 V167 Q170 F171 L175 P212 I213 S214L150-I152 HydrophobicContact CD2-CD1 3.74Å; L150-I152 HydrophobicContact CD2-CG1 3.95Å; L150-I152 HydrophobicContact CG-CD1 4.23Å; L150-I152 HydrophobicContact CG-CG1 3.88Å; L150-V167 HydrophobicContact CD2-CG1 3.89Å; L150-Q170 HydrophobicContact CD1-CB 4.28Å; L150-Q170 HydrophobicContact CD2-CB 4.44Å; L150-F171 HydrophobicContact CB-CZ 4.35Å; L150-F171 HydrophobicContact CD2-CD2 3.8Å; L150-F171 HydrophobicContact CD2-CE2 3.54Å; L150-F171 HydrophobicContact CD2-CG 4.38Å; L150-F171 HydrophobicContact CD2-CZ 3.91Å; L150-L175 HydrophobicContact CD1-CD1 4.24Å; L150-P212 PolarHBondContact N-O 3.42Å; L150-I213 HydrophobicContact CB-CG1 4.27Å; L150-I213 HydrophobicContact CD2-CD1 4.26Å; L150-I213 HydrophobicContact CD2-CG1 4.34Å; L150-I213 CarbonylContact O-C 3.52Å; L150-I213 VanDerWaalsContact O-CA 3.26Å; L150-I213 WeakPolarHBondContact O-CA 3.5Å; L150-S214 PolarHBondContact O-N 3.02Å
151K94Very high90.3Very high130 Ų13080.3 Ų80.357%0.56539%0.392SS*.EExtended strand (participates in β ladder)trans-97.1124.1170.5-63.4-179.1179.9-177.40108.3K174 L216K151-K174 VanDerWaalsContact O-CD 3.29Å; K151-K174 WeakPolarHBondContact O-CD 3.32Å; K151-K174 WeakPolarHBondContact O-CE 3.43Å; K151-K174 PolarHBondContact O-NZ 2.74Å; K151-L216 HydrophobicContact CB-CD1 4.31Å; K151-L216 HydrophobicContact CD-CD1 4.37Å
152I93.1Very high90.2Very high0 Ų078 Ų780%038%0.378CS..EExtended strand (participates in β ladder)trans-113.9133.6176.7-56.6-179000107.6L150 L162 V167 Q170 I213 S214 L215 L216L150-I152 HydrophobicContact CD2-CD1 3.74Å; L150-I152 HydrophobicContact CD2-CG1 3.95Å; L150-I152 HydrophobicContact CG-CD1 4.23Å; L150-I152 HydrophobicContact CG-CG1 3.88Å; I152-L162 HydrophobicContact CD1-CD1 3.61Å; I152-L162 HydrophobicContact CD1-CD2 4.24Å; I152-L162 HydrophobicContact CG2-CD1 4.16Å; I152-V167 HydrophobicContact CD1-CG2 4.04Å; I152-Q170 HydrophobicContact CD1-CB 4.44Å; I152-Q170 HydrophobicContact CD1-CG 4.38Å; I152-Q170 HydrophobicContact CG1-CB 4.31Å; I152-Q170 HydrophobicContact CG1-CG 4.24Å; I152-Q170 HydrophobicContact CG2-CG 4.19Å; I152-I213 HydrophobicContact CD1-CG2 3.73Å; I152-I213 HydrophobicContact CG1-CG2 4.1Å; I152-S214 PolarHBondContact N-O 3.06Å; I152-L215 HydrophobicContact CB-CD1 3.96Å; I152-L215 HydrophobicContact CG2-CD1 3.78Å; I152-L215 WeakPolarHBondContact O-CA 3.5Å; I152-L216 PolarHBondContact O-N 3.38Å
153I91.1Very high90.1Very high74 Ų7479.7 Ų79.738%0.37939%0.389SS..EExtended strand (participates in β ladder)trans-98.9124.7176.4-62.5169.7000106.5Y218I153-Y218 HydrophobicContact CG2-CD2 4.2Å
154K89.4Confident90Very high48 Ų4878.3 Ų78.321%0.20938%0.381CS..PPolyproline II helixtrans-64.9136.6175.6178.1165.5-176.9177.10109.3F160 K192 L194 L215 L216 Y218K154-F160 HydrophobicContact CB-CD1 4.35Å; K154-F160 HydrophobicContact CB-CE1 4.44Å; K154-F160 HydrophobicContact CD-CD1 4.28Å; K154-F160 HydrophobicContact CG-CB 4.41Å; K154-F160 HydrophobicContact CG-CD1 3.69Å; K154-F160 HydrophobicContact CG-CE1 4.26Å; K154-F160 HydrophobicContact CG-CG 4.21Å; K154-K192 PolarHBondContact NZ-O 3.06Å; K154-L194 HydrophobicContact CB-CD2 4.09Å; K154-L194 HydrophobicContact CD-CD2 3.88Å; K154-L215 HydrophobicContact CB-CD1 4.24Å; K154-L216 WeakPolarHBondContact CB-O 3.44Å; K154-L216 PolarHBondContact N-O 3.01Å; K154-Y218 VanDerWaalsContact O-CB 3.29Å; K154-Y218 WeakPolarHBondContact O-CB 3.42Å
155T86.1Confident90Very high76 Ų7680.9 Ų80.947%0.46639%0.39SS..PPolyproline II helixtrans-72.9151.1172-50.20000109.6S157T155-S157 PolarHBondContact O-N 3.02Å
156L83.5Confident89.9Confident126 Ų12682 Ų8266%0.6640%0.397SS*.SBendtrans-60.1-9.5178.4-73.2173000115.5Y218L156-Y218 HydrophobicContact CD1-CD1 3.72Å; L156-Y218 HydrophobicContact CD1-CE1 3.58Å; L156-Y218 HydrophobicContact CD1-CG 4.33Å; L156-Y218 HydrophobicContact CD2-CD1 3.42Å; L156-Y218 VanDerWaalsContact CD2-CD1 3.42Å; L156-Y218 HydrophobicContact CD2-CE1 4.17Å; L156-Y218 HydrophobicContact CD2-CG 3.77Å; L156-Y218 HydrophobicContact CG-CD1 3.45Å; L156-Y218 VanDerWaalsContact CG-CD1 3.45Å; L156-Y218 HydrophobicContact CG-CD2 4.24Å; L156-Y218 HydrophobicContact CG-CE1 3.84Å; L156-Y218 HydrophobicContact CG-CG 3.64Å
157S84.7Confident89.8Confident61 Ų6175 Ų7543%0.42737%0.367SS..  trans-76.3131.4178.7179.90000110.8T155 D159 F160T155-S157 PolarHBondContact O-N 3.02Å; S157-D159 PolarHBondContact O-N 3.21Å; S157-F160 VanDerWaalsContact O-CB 3.3Å; S157-F160 WeakPolarHBondContact O-CB 3.29Å; S157-F160 PolarHBondContact O-N 3.42Å; S157-F160 VanDerWaalsContact O-N 3.15Å
158D78.5Confident89.9Confident152 Ų15265.8 Ų65.881%0.81333%0.334SS*.THydrogen-bonded Turntrans-63.1-25.9178.2-70.2-32.7000112.8F160D158-F160 VanDerWaalsContact C-N 3.25Å; D158-F160 PolarHBondContact O-N 2.88Å
159D84.2Confident89.9Confident138 Ų13871.9 Ų71.974%0.73836%0.355SS*.THydrogen-bonded Turntrans-82.73.5178.9-65.5-34.5000113.7S157 Q161S157-D159 PolarHBondContact O-N 3.21Å; D159-Q161 PolarHBondContact O-N 2.95Å
160F85.3Confident89.9Confident29 Ų2965.6 Ų65.613%0.12733%0.328CS..  trans-63.4120.3-179.4179.7-92.6000111.6K154 S157 D158 L162 V166 L215K154-F160 HydrophobicContact CB-CD1 4.35Å; K154-F160 HydrophobicContact CB-CE1 4.44Å; K154-F160 HydrophobicContact CD-CD1 4.28Å; K154-F160 HydrophobicContact CG-CB 4.41Å; K154-F160 HydrophobicContact CG-CD1 3.69Å; K154-F160 HydrophobicContact CG-CE1 4.26Å; K154-F160 HydrophobicContact CG-CG 4.21Å; S157-F160 VanDerWaalsContact O-CB 3.3Å; S157-F160 WeakPolarHBondContact O-CB 3.29Å; S157-F160 PolarHBondContact O-N 3.42Å; S157-F160 VanDerWaalsContact O-N 3.15Å; D158-F160 VanDerWaalsContact C-N 3.25Å; D158-F160 PolarHBondContact O-N 2.88Å; F160-L162 HydrophobicContact CZ-CD1 4.49Å; F160-V166 HydrophobicContact CE2-CG1 4.2Å; F160-V166 HydrophobicContact CZ-CG1 4.02Å; F160-L215 HydrophobicContact CE1-CD1 4.19Å
161Q88.7Confident89.9Confident75 Ų7565.5 Ų65.535%0.3533%0.328SS..  trans-118.7133.1174.2-65.4178.427.600109.6D159 T163 P190 K192D159-Q161 PolarHBondContact O-N 2.95Å; Q161-T163 HydrophobicContact CB-CG2 4.45Å; Q161-T163 PolarHBondContact O-N 3.2Å; Q161-T163 VanDerWaalsContact O-N 3.16Å; Q161-P190 HydrophobicContact CB-CB 4.15Å; Q161-P190 HydrophobicContact CG-CB 4.35Å; Q161-K192 HydrophobicContact CG-CG 4.11Å
162L89.8Confident89.9Confident0 Ų064.2 Ų64.20%032%0.324CS..BIsolated β-bridgetrans-80.997.1173.1-172.566.2000109.2I152 F160 V166 V167 I191 I213I152-L162 HydrophobicContact CD1-CD1 3.61Å; I152-L162 HydrophobicContact CD1-CD2 4.24Å; I152-L162 HydrophobicContact CG2-CD1 4.16Å; F160-L162 HydrophobicContact CZ-CD1 4.49Å; L162-V166 HydrophobicContact CD1-CB 4.29Å; L162-V166 HydrophobicContact CD1-CG1 3.92Å; L162-V167 HydrophobicContact CD1-CG2 3.65Å; L162-V167 HydrophobicContact CD2-CG2 4.24Å; L162-V167 HydrophobicContact CG-CG2 3.82Å; L162-I191 HydrophobicContact CB-CB 4.13Å; L162-I191 HydrophobicContact CD2-CD1 4.24Å; L162-I191 PolarHBondContact N-O 2.82Å; L162-I213 HydrophobicContact CD2-CG2 4.43Å
163T92Very high89.9Confident41 Ų4169.3 Ų69.325%0.25235%0.351SS..  trans-96.9166.3173.661.70000111.3Q161 E165 V166 V167 E189Q161-T163 HydrophobicContact CB-CG2 4.45Å; Q161-T163 PolarHBondContact O-N 3.2Å; Q161-T163 VanDerWaalsContact O-N 3.16Å; T163-E165 PolarHBondContact O-N 3Å; T163-V166 PolarHBondContact O-N 3.14Å; T163-V167 PolarHBondContact O-N 3.31Å; T163-V167 VanDerWaalsContact O-N 3.14Å; T163-E189 WeakPolarHBondContact CA-OE1 3.35Å
164K92.4Very high90Very high68 Ų6870.1 Ų70.130%0.29635%0.352SS..Hα-helixtrans-51.7-41.1175.1-69.9176.6178.9171.90113.2V167 C168 L184 L186 E189K164-V167 PolarHBondContact O-N 3.46Å; K164-C168 PolarHBondContact O-N 2.82Å; K164-C168 PolarHBondContact O-SG 3.07Å; K164-L184 HydrophobicContact CB-CD2 4Å; K164-L184 HydrophobicContact CG-CD2 3.75Å; K164-L186 HydrophobicContact CB-CD1 4.48Å; K164-L186 HydrophobicContact CG-CD1 3.82Å; K164-L186 HydrophobicContact CG-CG 4.19Å; K164-E189 WeakPolarHBondContact CE-OE2 3.42Å; K164-E189 WeakPolarHBondContact CG-OE2 3.33Å; K164-E189 PolarHBondContact N-OE1 3.12Å; K164-E189 IonicContact NZ-OE2 2.75Å
165E92Very high90.1Very high145 Ų14571.1 Ų71.168%0.67836%0.359SS*.Hα-helixtrans-65.3-42.3-178.6-63.1-176.1171.300112.2T163 V167 C168 R169T163-E165 PolarHBondContact O-N 3Å; E165-V167 VanDerWaalsContact C-N 3.33Å; E165-V167 PolarHBondContact O-N 2.99Å; E165-C168 PolarHBondContact O-N 3.32Å; E165-R169 PolarHBondContact O-N 2.78Å
166V92.3Very high90.4Very high27 Ų2770.4 Ų70.416%0.16437%0.367CS..Hα-helixtrans-62.5-44.3176.7177.10000109.9F160 L162 T163 R169 Q170F160-V166 HydrophobicContact CE2-CG1 4.2Å; F160-V166 HydrophobicContact CZ-CG1 4.02Å; L162-V166 HydrophobicContact CD1-CB 4.29Å; L162-V166 HydrophobicContact CD1-CG1 3.92Å; T163-V166 PolarHBondContact O-N 3.14Å; V166-R169 PolarHBondContact O-N 2.84Å; V166-Q170 HydrophobicContact CG1-CG 4.48Å; V166-Q170 VanDerWaalsContact O-CG 3.27Å; V166-Q170 WeakPolarHBondContact O-CG 3.38Å; V166-Q170 PolarHBondContact O-N 2.7Å
167V93.8Very high90.8Very high0 Ų065.8 Ų65.80%034%0.343CS..Hα-helixtrans-60.5-47.3176.8178.20000111L150 I152 L162 T163 K164 E165 R169 Q170 F171 L184 L186 I213L150-V167 HydrophobicContact CD2-CG1 3.89Å; I152-V167 HydrophobicContact CD1-CG2 4.04Å; L162-V167 HydrophobicContact CD1-CG2 3.65Å; L162-V167 HydrophobicContact CD2-CG2 4.24Å; L162-V167 HydrophobicContact CG-CG2 3.82Å; T163-V167 PolarHBondContact O-N 3.31Å; T163-V167 VanDerWaalsContact O-N 3.14Å; K164-V167 PolarHBondContact O-N 3.46Å; E165-V167 VanDerWaalsContact C-N 3.33Å; E165-V167 PolarHBondContact O-N 2.99Å; V167-R169 VanDerWaalsContact C-N 3.33Å; V167-R169 PolarHBondContact O-N 2.93Å; V167-Q170 PolarHBondContact O-N 2.99Å; V167-Q170 VanDerWaalsContact O-N 3.11Å; V167-F171 HydrophobicContact CG1-CD2 3.81Å; V167-F171 HydrophobicContact CG1-CE2 3.62Å; V167-F171 WeakPolarHBondContact O-CD2 3.36Å; V167-F171 PolarHBondContact O-N 3.23Å; V167-L184 HydrophobicContact CB-CD1 4.25Å; V167-L184 HydrophobicContact CG1-CD1 3.66Å; V167-L186 HydrophobicContact CG2-CD1 4.03Å; V167-L186 HydrophobicContact CG2-CD2 4.49Å; V167-I213 HydrophobicContact CG1-CD1 3.84Å; V167-I213 HydrophobicContact CG2-CD1 4.3Å
168C94.4Very high91.2Very high12 Ų1268.2 Ų68.28%0.08136%0.355CS..Hα-helixtrans-57.5-45177.6-660000111.8K164 E165 Q170 F171 E172 V179K164-C168 PolarHBondContact O-N 2.82Å; K164-C168 PolarHBondContact O-SG 3.07Å; E165-C168 PolarHBondContact O-N 3.32Å; C168-Q170 VanDerWaalsContact C-N 3.3Å; C168-Q170 PolarHBondContact O-N 2.81Å; C168-F171 WeakPolarHBondContact O-CB 3.19Å; C168-F171 PolarHBondContact O-N 2.97Å; C168-E172 PolarHBondContact O-N 3.43Å; C168-E172 VanDerWaalsContact O-N 3.15Å; C168-V179 WeakPolarHBondContact CB-O 3.48Å; C168-V179 PolarHBondContact SG-O 3.44Å
169R94.3Very high91.9Very high145 Ų14561.6 Ų61.655%0.54732%0.32SS..Hα-helixtrans-63.4-35.7177.2-163.5179.881-169.86.2112.4E165 V166 V167 E172 N173E165-R169 PolarHBondContact O-N 2.78Å; V166-R169 PolarHBondContact O-N 2.84Å; V167-R169 VanDerWaalsContact C-N 3.33Å; V167-R169 PolarHBondContact O-N 2.93Å; R169-E172 PolarHBondContact O-N 3.43Å; R169-N173 WeakPolarHBondContact O-CB 3.42Å; R169-N173 VanDerWaalsContact O-CG 3.22Å; R169-N173 PolarHBondContact O-N 3.29Å; R169-N173 PolarHBondContact O-ND2 3.06Å
170Q93.8Very high92.4Very high29 Ų2957.5 Ų57.514%0.13630%0.301CS..Hα-helixtrans-71.7-34177-66.2-62.8-25.700112.4L150 I152 V166 V167 C168 E172 N173 K174L150-Q170 HydrophobicContact CD1-CB 4.28Å; L150-Q170 HydrophobicContact CD2-CB 4.44Å; I152-Q170 HydrophobicContact CD1-CB 4.44Å; I152-Q170 HydrophobicContact CD1-CG 4.38Å; I152-Q170 HydrophobicContact CG1-CB 4.31Å; I152-Q170 HydrophobicContact CG1-CG 4.24Å; I152-Q170 HydrophobicContact CG2-CG 4.19Å; V166-Q170 HydrophobicContact CG1-CG 4.48Å; V166-Q170 VanDerWaalsContact O-CG 3.27Å; V166-Q170 WeakPolarHBondContact O-CG 3.38Å; V166-Q170 PolarHBondContact O-N 2.7Å; V167-Q170 PolarHBondContact O-N 2.99Å; V167-Q170 VanDerWaalsContact O-N 3.11Å; C168-Q170 VanDerWaalsContact C-N 3.3Å; C168-Q170 PolarHBondContact O-N 2.81Å; Q170-E172 VanDerWaalsContact C-N 3.33Å; Q170-N173 PolarHBondContact O-N 2.72Å; Q170-K174 VanDerWaalsContact O-CB 3.31Å; Q170-K174 WeakPolarHBondContact O-CB 3.38Å; Q170-K174 PolarHBondContact O-N 2.76Å
171F94.5Very high92.7Very high0 Ų059.2 Ų59.20%032%0.315CS..Hα-helixtrans-59.9-44.6170.5-89.7-75.7000111.6L150 V167 C168 L175 G176 I177 V179 L184 I201 I211L150-F171 HydrophobicContact CB-CZ 4.35Å; L150-F171 HydrophobicContact CD2-CD2 3.8Å; L150-F171 HydrophobicContact CD2-CE2 3.54Å; L150-F171 HydrophobicContact CD2-CG 4.38Å; L150-F171 HydrophobicContact CD2-CZ 3.91Å; V167-F171 HydrophobicContact CG1-CD2 3.81Å; V167-F171 HydrophobicContact CG1-CE2 3.62Å; V167-F171 WeakPolarHBondContact O-CD2 3.36Å; V167-F171 PolarHBondContact O-N 3.23Å; C168-F171 WeakPolarHBondContact O-CB 3.19Å; C168-F171 PolarHBondContact O-N 2.97Å; F171-L175 HydrophobicContact CD1-CD1 3.6Å; F171-L175 HydrophobicContact CE1-CD1 3.75Å; F171-L175 CarbonylContact O-C 3.5Å; F171-L175 WeakPolarHBondContact O-CA 3.5Å; F171-L175 WeakPolarHBondContact O-CB 3.19Å; F171-L175 PolarHBondContact O-N 3.31Å; F171-G176 PolarHBondContact O-N 3.11Å; F171-G176 VanDerWaalsContact O-N 3.13Å; F171-I177 CarbonylContact C-O 3.49Å; F171-I177 PolarHBondContact O-N 3.21Å; F171-V179 HydrophobicContact CB-CG2 4.13Å; F171-V179 HydrophobicContact CD1-CG2 4.46Å; F171-V179 HydrophobicContact CD2-CG2 4.43Å; F171-V179 HydrophobicContact CG-CG2 4.11Å; F171-L184 HydrophobicContact CD2-CD1 4.45Å; F171-L184 HydrophobicContact CE2-CD1 4.28Å; F171-I201 HydrophobicContact CD2-CD1 4.39Å; F171-I201 HydrophobicContact CE1-CD1 4.13Å; F171-I201 HydrophobicContact CE2-CD1 3.73Å; F171-I201 HydrophobicContact CZ-CD1 3.6Å; F171-I211 HydrophobicContact CE1-CD1 4Å; F171-I211 HydrophobicContact CZ-CD1 3.78Å; F171-I211 HydrophobicContact CZ-CG2 4.14Å
172E94.6Very high92.9Very high102 Ų10266.4 Ų66.448%0.47734%0.339SS..Hα-helixtrans-64.6-50.7177-173.7173.7-162.800111.1C168 R169 Q170 K174 G176 I177 V178C168-E172 PolarHBondContact O-N 3.43Å; C168-E172 VanDerWaalsContact O-N 3.15Å; R169-E172 PolarHBondContact O-N 3.43Å; Q170-E172 VanDerWaalsContact C-N 3.33Å; E172-K174 PolarHBondContact O-N 3.06Å; E172-G176 WeakPolarHBondContact O-CA 3.34Å; E172-G176 PolarHBondContact O-N 2.87Å; E172-I177 WeakPolarHBondContact CA-O 3.42Å; E172-I177 PolarHBondContact N-O 3.02Å; E172-V178 HydrophobicContact CG-CG2 4.45Å
173N93.8Very high93.1Very high108 Ų10867.2 Ų67.258%0.57835%0.345SS*.Hα-helixtrans-68-39.3-175.6-71.1-14.5000114.1R169 Q170R169-N173 WeakPolarHBondContact O-CB 3.42Å; R169-N173 VanDerWaalsContact O-CG 3.22Å; R169-N173 PolarHBondContact O-N 3.29Å; R169-N173 PolarHBondContact O-ND2 3.06Å; Q170-N173 PolarHBondContact O-N 2.72Å
174K92.4Very high93.2Very high91 Ų9165.4 Ų65.440%0.39633%0.334SS..Hα-helixtrans-94.8-34.1-173.4-63.5-165.7175.3-163.80113.6K151 Q170 E172K151-K174 VanDerWaalsContact O-CD 3.29Å; K151-K174 WeakPolarHBondContact O-CD 3.32Å; K151-K174 WeakPolarHBondContact O-CE 3.43Å; K151-K174 PolarHBondContact O-NZ 2.74Å; Q170-K174 VanDerWaalsContact O-CB 3.31Å; Q170-K174 WeakPolarHBondContact O-CB 3.38Å; Q170-K174 PolarHBondContact O-N 2.76Å; E172-K174 PolarHBondContact O-N 3.06Å
175L91.1Very high93.2Very high68 Ų6865 Ų6536%0.35634%0.339SS..Hα-helixtrans-114.7-11.1-173.2-60.3171.4000112.4T148 L150 F171 I177T148-L175 HydrophobicContact CG2-CD1 4.25Å; L150-L175 HydrophobicContact CD1-CD1 4.24Å; F171-L175 HydrophobicContact CD1-CD1 3.6Å; F171-L175 HydrophobicContact CE1-CD1 3.75Å; F171-L175 CarbonylContact O-C 3.5Å; F171-L175 WeakPolarHBondContact O-CA 3.5Å; F171-L175 WeakPolarHBondContact O-CB 3.19Å; F171-L175 PolarHBondContact O-N 3.31Å; L175-I177 HydrophobicContact CB-CD1 4.04Å; L175-I177 HydrophobicContact CB-CG1 4.03Å; L175-I177 PolarHBondContact O-N 2.82Å
176G92.6Very high93.1Very high62 Ų6258.7 Ų58.764%0.63931%0.31SS*.  trans70.217-175.600000113.4F171 E172F171-G176 PolarHBondContact O-N 3.11Å; F171-G176 VanDerWaalsContact O-N 3.13Å; E172-G176 WeakPolarHBondContact O-CA 3.34Å; E172-G176 PolarHBondContact O-N 2.87Å
177I92.3Very high92.7Very high28 Ų2860.3 Ų60.314%0.14432%0.322CS..  trans-102.3118.6-176.6-56.2174.5000108.7L144 L145 T148 F171 E172 L175 V179L144-I177 HydrophobicContact CD2-CD1 3.84Å; L144-I177 HydrophobicContact CD2-CG1 4.42Å; L144-I177 HydrophobicContact CG-CD1 4.33Å; L145-I177 HydrophobicContact CD2-CD1 4.07Å; T148-I177 HydrophobicContact CG2-CD1 4.47Å; F171-I177 CarbonylContact C-O 3.49Å; F171-I177 PolarHBondContact O-N 3.21Å; E172-I177 WeakPolarHBondContact CA-O 3.42Å; E172-I177 PolarHBondContact N-O 3.02Å; L175-I177 HydrophobicContact CB-CD1 4.04Å; L175-I177 HydrophobicContact CB-CG1 4.03Å; L175-I177 PolarHBondContact O-N 2.82Å; I177-V179 HydrophobicContact CG2-CG2 3.89Å; I177-V179 PolarHBondContact O-N 3.33Å
178V92.9Very high91.9Very high112 Ų11265 Ų6568%0.67934%0.342SS*.  trans-83.4108.9175.7-177.70000109.2E172E172-V178 HydrophobicContact CG-CG2 4.45Å
179V93.8Very high91.2Very high13 Ų1368.6 Ų68.68%0.07936%0.358CS..  trans-109.4121.6177.1-176.20000109.1C168 F171 I177 L184 I201C168-V179 WeakPolarHBondContact CB-O 3.48Å; C168-V179 PolarHBondContact SG-O 3.44Å; F171-V179 HydrophobicContact CB-CG2 4.13Å; F171-V179 HydrophobicContact CD1-CG2 4.46Å; F171-V179 HydrophobicContact CD2-CG2 4.43Å; F171-V179 HydrophobicContact CG-CG2 4.11Å; I177-V179 HydrophobicContact CG2-CG2 3.89Å; I177-V179 PolarHBondContact O-N 3.33Å; V179-L184 HydrophobicContact CG1-CB 4.24Å; V179-L184 HydrophobicContact CG1-CD1 4.2Å; V179-I201 HydrophobicContact CG1-CD1 4.19Å; V179-I201 HydrophobicContact CG1-CG2 4.17Å; V179-I201 HydrophobicContact CG2-CD1 4.14Å
180P93.4Very high90.6Very high52 Ų5265.1 Ų65.134%0.33835%0.354SS..  trans-75.8141.9175.230.4-32.6000110.6R182 A183P180-R182 HydrophobicContact CB-CG 4.17Å; P180-R182 HydrophobicContact CG-CG 4.35Å; P180-R182 PolarHBondContact O-N 3.13Å; P180-A183 HydrophobicContact CG-CB 3.89Å; P180-A183 PolarHBondContact O-N 2.86Å
181P92.4Very high90.2Very high66 Ų6664.2 Ų64.243%0.42935%0.35SS..G310 helixtrans-56.4-31.1-176.5-27.634.3000114.5A183 L184P181-A183 PolarHBondContact O-N 3.39Å; P181-L184 PolarHBondContact O-N 3.21Å
182R92.8Very high89.9Confident226 Ų22669.6 Ų69.685%0.85337%0.374SS*.G310 helixtrans-64.2-25176.867.6-177.9177.185.7-0114.5P180 L184P180-R182 HydrophobicContact CB-CG 4.17Å; P180-R182 HydrophobicContact CG-CG 4.35Å; P180-R182 PolarHBondContact O-N 3.13Å; R182-L184 VanDerWaalsContact C-N 3.35Å
183A92.8Very high89.5Confident16 Ų1671.9 Ų71.913%0.13238%0.384CS..G310 helixtrans-90.4-8.1-179.900000111.9P180 P181 I201 T202P180-A183 HydrophobicContact CG-CB 3.89Å; P180-A183 PolarHBondContact O-N 2.86Å; P181-A183 PolarHBondContact O-N 3.39Å; A183-I201 WeakPolarHBondContact O-CA 3.31Å; A183-T202 PolarHBondContact O-N 2.95Å
184L94.2Very high89.4Confident4 Ų471 Ų712%0.02138%0.379CS..EExtended strand (participates in β ladder)trans-106.8119.7-172.9-169.7144.1000110.1K164 V167 F171 V179 P181 R182 L186 C199 I201K164-L184 HydrophobicContact CB-CD2 4Å; K164-L184 HydrophobicContact CG-CD2 3.75Å; V167-L184 HydrophobicContact CB-CD1 4.25Å; V167-L184 HydrophobicContact CG1-CD1 3.66Å; F171-L184 HydrophobicContact CD2-CD1 4.45Å; F171-L184 HydrophobicContact CE2-CD1 4.28Å; V179-L184 HydrophobicContact CG1-CB 4.24Å; V179-L184 HydrophobicContact CG1-CD1 4.2Å; P181-L184 PolarHBondContact O-N 3.21Å; R182-L184 VanDerWaalsContact C-N 3.35Å; L184-L186 HydrophobicContact CD2-CD1 4.08Å; L184-L186 HydrophobicContact CD2-CD2 4.16Å; L184-L186 HydrophobicContact CD2-CG 3.63Å; L184-C199 VanDerWaalsContact CD2-SG 3.58Å; L184-C199 WeakPolarHBondContact CG-SG 3.37Å; L184-I201 HydrophobicContact CD1-CD1 4.36Å; L184-I201 HydrophobicContact CD1-CG1 4.39Å
185S93Very high89.3Confident58 Ų5868 Ų6841%0.40637%0.374SS..EExtended strand (participates in β ladder)trans-111.4118.3175.5-170.20000109.9D200S185-D200 PolarHBondContact N-O 3.36Å; S185-D200 PolarHBondContact O-N 3.08Å
186L91Very high89.4Confident13 Ų1372.6 Ų72.67%0.06839%0.393CS..  trans-102.6118.8169.2-69172.5000107.5K164 V167 L184 F188 C199 I213K164-L186 HydrophobicContact CB-CD1 4.48Å; K164-L186 HydrophobicContact CG-CD1 3.82Å; K164-L186 HydrophobicContact CG-CG 4.19Å; V167-L186 HydrophobicContact CG2-CD1 4.03Å; V167-L186 HydrophobicContact CG2-CD2 4.49Å; L184-L186 HydrophobicContact CD2-CD1 4.08Å; L184-L186 HydrophobicContact CD2-CD2 4.16Å; L184-L186 HydrophobicContact CD2-CG 3.63Å; L186-F188 PolarHBondContact O-N 3Å; L186-C199 HydrophobicContact CD2-CB 3.62Å; L186-I213 HydrophobicContact CD2-CD1 4.29Å
187P83.4Confident89.5Confident61 Ų6171.8 Ų71.840%0.39637%0.371SS..SBendtrans-69.8-25.1178.423.7-29.1000112.4W198P187-W198 HydrophobicContact CG-CZ2 4.48Å
188F77.1Confident89.6Confident98 Ų9874.5 Ų74.543%0.4338%0.38SS..SBendtrans-119.7107.7178.1-44.2-75.8000107.9L186 I191 Y197 W198L186-F188 PolarHBondContact O-N 3Å; F188-I191 HydrophobicContact CB-CD1 4.26Å; F188-I191 HydrophobicContact CB-CG1 4.06Å; F188-I191 VanDerWaalsContact O-CD1 3.29Å; F188-I191 WeakPolarHBondContact O-CD1 3.37Å; F188-I191 VanDerWaalsContact O-CG1 3.24Å; F188-I191 WeakPolarHBondContact O-CG1 3.46Å; F188-Y197 HydrophobicContact CD2-CD1 4.43Å; F188-W198 HydrophobicContact CE2-CD2 4.4Å; F188-W198 AromaticContact CE2-CE2 3.89Å; F188-W198 HydrophobicContact CE2-CE3 4.44Å; F188-W198 AromaticContact CE2-CH2 3.51Å; F188-W198 HydrophobicContact CE2-CH2 3.51Å; F188-W198 AromaticContact CE2-CZ2 3.44Å; F188-W198 HydrophobicContact CE2-CZ2 3.44Å; F188-W198 VanDerWaalsContact CE2-CZ2 3.44Å; F188-W198 HydrophobicContact CE2-CZ3 4.02Å; F188-W198 AromaticContact CZ-CH2 3.69Å; F188-W198 HydrophobicContact CZ-CH2 3.69Å; F188-W198 AromaticContact CZ-CZ2 3.68Å; F188-W198 HydrophobicContact CZ-CZ2 3.68Å
189E79.2Confident89.6Confident88 Ų8869.1 Ų69.141%0.41135%0.348SS..  trans-138.7131.2175.3-173.7166.3-152.600108.4T163 K164T163-E189 WeakPolarHBondContact CA-OE1 3.35Å; K164-E189 WeakPolarHBondContact CE-OE2 3.42Å; K164-E189 WeakPolarHBondContact CG-OE2 3.33Å; K164-E189 PolarHBondContact N-OE1 3.12Å; K164-E189 IonicContact NZ-OE2 2.75Å
190P81.9Confident89.7Confident73 Ų7370.5 Ų70.547%0.47435%0.354SS..SBendcis-88.4139-3.233.1-32.1000114.1Q161Q161-P190 HydrophobicContact CB-CB 4.15Å; Q161-P190 HydrophobicContact CG-CB 4.35Å
191I85.9Confident89.7Confident10 Ų1068.3 Ų68.35%0.05134%0.34CS..BIsolated β-bridgetrans-92.7124.3175.8-59.8158.4000110.1L162 F188 Y197 L215L162-I191 HydrophobicContact CB-CB 4.13Å; L162-I191 HydrophobicContact CD2-CD1 4.24Å; L162-I191 PolarHBondContact N-O 2.82Å; F188-I191 HydrophobicContact CB-CD1 4.26Å; F188-I191 HydrophobicContact CB-CG1 4.06Å; F188-I191 VanDerWaalsContact O-CD1 3.29Å; F188-I191 WeakPolarHBondContact O-CD1 3.37Å; F188-I191 VanDerWaalsContact O-CG1 3.24Å; F188-I191 WeakPolarHBondContact O-CG1 3.46Å; I191-Y197 HydrophobicContact CD1-CD1 3.72Å; I191-Y197 HydrophobicContact CD1-CD2 4.18Å; I191-Y197 HydrophobicContact CD1-CE1 4.12Å; I191-Y197 HydrophobicContact CD1-CG 3.76Å; I191-Y197 HydrophobicContact CG1-CD1 4.29Å; I191-Y197 HydrophobicContact CG1-CE1 4.2Å; I191-Y197 HydrophobicContact CG2-CD1 4.46Å; I191-Y197 HydrophobicContact CG2-CD2 4.06Å; I191-Y197 HydrophobicContact CG2-CE1 3.88Å; I191-Y197 HydrophobicContact CG2-CE2 3.41Å; I191-Y197 VanDerWaalsContact CG2-CE2 3.41Å; I191-Y197 WeakPolarHBondContact CG2-OH 3.35Å; I191-L215 HydrophobicContact CG2-CD2 4.38Å
192K86.6Confident89.8Confident113 Ų11367.1 Ų67.149%0.49133%0.331SS..  trans-111.6-27.2177.5-69.2-178.4175.8-175.90113.8K154 Q161K154-K192 PolarHBondContact NZ-O 3.06Å; Q161-K192 HydrophobicContact CG-CG 4.11Å
193E87.5Confident89.8Confident150 Ų15057 Ų5770%0.70130%0.295SS*.SBendtrans-84.8148.2-174.5-64.1-179.8-179.100111.2Y197 L215E193-Y197 PolarHBondContact O-OH 2.92Å; E193-L215 WeakPolarHBondContact O-CD2 3.38Å
194L90.4Very high89.5Confident88 Ų8861.2 Ų61.246%0.46132%0.315SS..  trans-75.1138.6175.1-57.6176.6000108.9K154 L215 P217K154-L194 HydrophobicContact CB-CD2 4.09Å; K154-L194 HydrophobicContact CD-CD2 3.88Å; L194-L215 HydrophobicContact CD2-CD2 4.4Å; L194-L215 HydrophobicContact CD2-CG 4.03Å; L194-P217 HydrophobicContact CD1-CB 3.93Å; L194-P217 HydrophobicContact CD1-CG 4.43Å
195G91.7Very high89Confident28 Ų2863.9 Ų63.929%0.28934%0.343SS..EExtended strand (participates in β ladder)trans168.2-177.1-176.400000114.3L215G195-L215 PolarHBondContact N-O 2.79Å; G195-L215 PolarHBondContact O-N 3.31Å
196E92.6Very high88.6Confident165 Ų16563.8 Ų63.877%0.77134%0.337SS*.EExtended strand (participates in β ladder)trans-100125.3173.5-64.2-173.7177.400109.9
197Y93.8Very high88.6Confident45 Ų4566 Ų6618%0.17635%0.349CS..EExtended strand (participates in β ladder)trans-128175.6-178.6-60.2-79.3000109.2F188 I191 E193 I213 L215F188-Y197 HydrophobicContact CD2-CD1 4.43Å; I191-Y197 HydrophobicContact CD1-CD1 3.72Å; I191-Y197 HydrophobicContact CD1-CD2 4.18Å; I191-Y197 HydrophobicContact CD1-CE1 4.12Å; I191-Y197 HydrophobicContact CD1-CG 3.76Å; I191-Y197 HydrophobicContact CG1-CD1 4.29Å; I191-Y197 HydrophobicContact CG1-CE1 4.2Å; I191-Y197 HydrophobicContact CG2-CD1 4.46Å; I191-Y197 HydrophobicContact CG2-CD2 4.06Å; I191-Y197 HydrophobicContact CG2-CE1 3.88Å; I191-Y197 HydrophobicContact CG2-CE2 3.41Å; I191-Y197 VanDerWaalsContact CG2-CE2 3.41Å; I191-Y197 WeakPolarHBondContact CG2-OH 3.35Å; E193-Y197 PolarHBondContact O-OH 2.92Å; Y197-I213 PolarHBondContact N-O 3.06Å; Y197-I213 PolarHBondContact O-N 2.86Å; Y197-I213 VanDerWaalsContact O-O 3.13Å; Y197-L215 HydrophobicContact CE2-CB 4.48Å
198W94.1Very high89.1Confident85 Ų8567.1 Ų67.132%0.32236%0.355SS..EExtended strand (participates in β ladder)trans-134.1155.6170.262.892.5000110.3P187 F188 R210 I211P187-W198 HydrophobicContact CG-CZ2 4.48Å; F188-W198 HydrophobicContact CE2-CD2 4.4Å; F188-W198 AromaticContact CE2-CE2 3.89Å; F188-W198 HydrophobicContact CE2-CE3 4.44Å; F188-W198 AromaticContact CE2-CH2 3.51Å; F188-W198 HydrophobicContact CE2-CH2 3.51Å; F188-W198 AromaticContact CE2-CZ2 3.44Å; F188-W198 HydrophobicContact CE2-CZ2 3.44Å; F188-W198 VanDerWaalsContact CE2-CZ2 3.44Å; F188-W198 HydrophobicContact CE2-CZ3 4.02Å; F188-W198 AromaticContact CZ-CH2 3.69Å; F188-W198 HydrophobicContact CZ-CH2 3.69Å; F188-W198 AromaticContact CZ-CZ2 3.68Å; F188-W198 HydrophobicContact CZ-CZ2 3.68Å; W198-R210 HydrophobicContact CB-CG 3.88Å; W198-R210 VanDerWaalsContact CE3-NH2 3.27Å; W198-R210 HydrophobicContact CG-CG 4.1Å; W198-I211 CarbonylContact C-O 3.51Å; W198-I211 VanDerWaalsContact CA-O 3.27Å; W198-I211 WeakPolarHBondContact CA-O 3.32Å
199C93.7Very high89.9Confident0 Ų062.9 Ų62.90%034%0.337CS..EExtended strand (participates in β ladder)trans-131138.3176.6176.40000109.1L184 L186 I211 I213L184-C199 VanDerWaalsContact CD2-SG 3.58Å; L184-C199 WeakPolarHBondContact CG-SG 3.37Å; L186-C199 HydrophobicContact CD2-CB 3.62Å; C199-I211 PolarHBondContact N-O 3.39Å; C199-I211 PolarHBondContact O-N 3.36Å; C199-I213 HydrophobicContact CB-CD1 3.37Å; C199-I213 HydrophobicContact CB-CG1 4.05Å
200D95.2Very high90.7Very high41 Ų4166 Ų6622%0.21935%0.345CS..EExtended strand (participates in β ladder)trans-101120.6177.9-62.8-27.2000108.4S185 T208 V209 R210S185-D200 PolarHBondContact N-O 3.36Å; S185-D200 PolarHBondContact O-N 3.08Å; D200-T208 HydrophobicContact CB-CG2 3.75Å; D200-V209 WeakPolarHBondContact CA-O 3.23Å; D200-R210 WeakPolarHBondContact OD1-CB 3.21Å; D200-R210 WeakPolarHBondContact OD1-CG 3.09Å
201I95.1Very high91.3Very high6 Ų662.5 Ų62.53%0.03132%0.322CS..EExtended strand (participates in β ladder)trans-110.8122.2177-59.3-172000108.7L145 F171 V179 A183 L184 T208 V209 I211L145-I201 HydrophobicContact CD1-CB 4.49Å; L145-I201 HydrophobicContact CD1-CG2 4.12Å; F171-I201 HydrophobicContact CD2-CD1 4.39Å; F171-I201 HydrophobicContact CE1-CD1 4.13Å; F171-I201 HydrophobicContact CE2-CD1 3.73Å; F171-I201 HydrophobicContact CZ-CD1 3.6Å; V179-I201 HydrophobicContact CG1-CD1 4.19Å; V179-I201 HydrophobicContact CG1-CG2 4.17Å; V179-I201 HydrophobicContact CG2-CD1 4.14Å; A183-I201 WeakPolarHBondContact O-CA 3.31Å; L184-I201 HydrophobicContact CD1-CD1 4.36Å; L184-I201 HydrophobicContact CD1-CG1 4.39Å; I201-T208 WeakPolarHBondContact O-CA 3.31Å; I201-V209 PolarHBondContact N-O 3.32Å; I201-V209 PolarHBondContact O-N 3.13Å; I201-I211 HydrophobicContact CB-CD1 4.43Å; I201-I211 HydrophobicContact CD1-CD1 3.47Å; I201-I211 VanDerWaalsContact CD1-CD1 3.47Å; I201-I211 HydrophobicContact CG1-CD1 3.96Å
202T93.7Very high91.7Very high41 Ų4164.9 Ų64.925%0.25234%0.338SS..EExtended strand (participates in β ladder)trans-94.5115.5177.2-51.20000110.7A183 D207 T208A183-T202 PolarHBondContact O-N 2.95Å; T202-D207 CarbonylContact C-O 3.34Å; T202-D207 WeakPolarHBondContact CA-O 3.28Å; T202-T208 PolarHBondContact OG1-OG1 2.93Å; T202-T208 VanDerWaalsContact OG1-OG1 3.08Å
203V92.1Very high92.1Very high15 Ų1559.5 Ų59.59%0.09132%0.315CS..EExtended strand (participates in β ladder)trans-86.5124.7175.5-177.50000109T141 V142 L145 G205 M206 D207T141-V203 HydrophobicContact CG2-CG2 4.34Å; V142-V203 HydrophobicContact CG2-CB 3.9Å; V142-V203 HydrophobicContact CG2-CG1 4.26Å; V142-V203 HydrophobicContact CG2-CG2 3.72Å; L145-V203 HydrophobicContact CD1-CG2 3.7Å; V203-G205 PolarHBondContact O-N 2.86Å; V203-M206 PolarHBondContact O-N 3.44Å; V203-D207 PolarHBondContact N-O 3.09Å; V203-D207 PolarHBondContact O-N 3.01Å
204N87.6Confident92.4Very high104 Ų10453.8 Ų53.856%0.55629%0.291SS*.THydrogen-bonded Turntrans54.415.3178.8-61.1-22.4000115.9M206N204-M206 VanDerWaalsContact C-N 3.3Å; N204-M206 HydrophobicContact CB-CG 4.47Å
205G84.3Confident92.6Very high59 Ų5949.8 Ų49.861%0.60827%0.271SS*.THydrogen-bonded Turntrans75.615.5-175.200000114.3V203V203-G205 PolarHBondContact O-N 2.86Å
206M84.5Confident92.6Very high57 Ų5752 Ų5228%0.28128%0.275SS..THydrogen-bonded Turntrans-121.2-68.8-174.7-46-166.971.400110.6P129 R132 V203 N204P129-M206 WeakPolarHBondContact O-CE 3.24Å; R132-M206 HydrophobicContact CB-CE 3.91Å; R132-M206 HydrophobicContact CB-SD 3.93Å; R132-M206 WeakPolarHBondContact O-CE 3.46Å; V203-M206 PolarHBondContact O-N 3.44Å; N204-M206 VanDerWaalsContact C-N 3.3Å; N204-M206 HydrophobicContact CB-CG 4.47Å
207D89.9Confident92.5Very high60 Ų6047.3 Ų47.332%0.32126%0.259SS..EExtended strand (participates in β ladder)trans-87.6120.4-177.3-76.8-10.6000110.5Q134 V142 T202 V203Q134-D207 PolarHBondContact NE2-OD2 3.34Å; Q134-D207 PolarHBondContact OE1-OD2 3.18Å; V142-D207 HydrophobicContact CG2-CB 3.73Å; T202-D207 CarbonylContact C-O 3.34Å; T202-D207 WeakPolarHBondContact CA-O 3.28Å; V203-D207 PolarHBondContact N-O 3.09Å; V203-D207 PolarHBondContact O-N 3.01Å
208T93.3Very high92.3Very high84 Ų8450.5 Ų50.552%0.51527%0.272SS..EExtended strand (participates in β ladder)trans-98.6123.9171.4-61.20000110D200 I201 T202D200-T208 HydrophobicContact CB-CG2 3.75Å; I201-T208 WeakPolarHBondContact O-CA 3.31Å; T202-T208 PolarHBondContact OG1-OG1 2.93Å; T202-T208 VanDerWaalsContact OG1-OG1 3.08Å
209V95.2Very high91.8Very high8 Ų852.8 Ų52.85%0.04829%0.286CS..EExtended strand (participates in β ladder)trans-112.7124.9179.9-175.50000109.7V142 L145 K146 D200 I201 I211V142-V209 HydrophobicContact CB-CG2 4.24Å; V142-V209 HydrophobicContact CG1-CG2 3.77Å; V142-V209 HydrophobicContact CG2-CG2 4.01Å; L145-V209 HydrophobicContact CB-CB 4.33Å; L145-V209 HydrophobicContact CB-CG1 3.93Å; K146-V209 HydrophobicContact CG-CG1 3.83Å; D200-V209 WeakPolarHBondContact CA-O 3.23Å; I201-V209 PolarHBondContact N-O 3.32Å; I201-V209 PolarHBondContact O-N 3.13Å; V209-I211 HydrophobicContact CG1-CG1 4.21Å
210R95.2Very high91.4Very high154 Ų15456.1 Ų56.158%0.58130%0.304SS*.EExtended strand (participates in β ladder)trans-86.6121.1174.9-173.2169.2179.3-1680.3110.3W198 D200W198-R210 HydrophobicContact CB-CG 3.88Å; W198-R210 VanDerWaalsContact CE3-NH2 3.27Å; W198-R210 HydrophobicContact CG-CG 4.1Å; D200-R210 WeakPolarHBondContact OD1-CB 3.21Å; D200-R210 WeakPolarHBondContact OD1-CG 3.09Å
211I95.2Very high90.9Very high0 Ų061.8 Ų61.80%033%0.329CS..EExtended strand (participates in β ladder)trans-116.1129.6-176.8-58.6173000109.3L145 F171 W198 C199 I201 V209L145-I211 HydrophobicContact CB-CD1 4.06Å; L145-I211 HydrophobicContact CD2-CD1 3.8Å; L145-I211 HydrophobicContact CG-CD1 4.37Å; F171-I211 HydrophobicContact CE1-CD1 4Å; F171-I211 HydrophobicContact CZ-CD1 3.78Å; F171-I211 HydrophobicContact CZ-CG2 4.14Å; W198-I211 CarbonylContact C-O 3.51Å; W198-I211 VanDerWaalsContact CA-O 3.27Å; W198-I211 WeakPolarHBondContact CA-O 3.32Å; C199-I211 PolarHBondContact N-O 3.39Å; C199-I211 PolarHBondContact O-N 3.36Å; I201-I211 HydrophobicContact CB-CD1 4.43Å; I201-I211 HydrophobicContact CD1-CD1 3.47Å; I201-I211 VanDerWaalsContact CD1-CD1 3.47Å; I201-I211 HydrophobicContact CG1-CD1 3.96Å; V209-I211 HydrophobicContact CG1-CG1 4.21Å
212P95Very high90.4Very high59 Ų5964.3 Ų64.338%0.38335%0.347SS..EExtended strand (participates in β ladder)trans-73.5132.8175.430.8-34.4000111K149 L150K149-P212 HydrophobicContact CB-CG 4.17Å; K149-P212 HydrophobicContact CD-CG 4.42Å; K149-P212 HydrophobicContact CG-CG 3.81Å; L150-P212 PolarHBondContact N-O 3.42Å
213I94.2Very high90.1Very high1 Ų164.7 Ų64.71%0.00536%0.355CS..EExtended strand (participates in β ladder)trans-115.9125.8176-59.1-173.1000108.7L150 I152 L162 V167 L186 Y197 C199L150-I213 HydrophobicContact CB-CG1 4.27Å; L150-I213 HydrophobicContact CD2-CD1 4.26Å; L150-I213 HydrophobicContact CD2-CG1 4.34Å; L150-I213 CarbonylContact O-C 3.52Å; L150-I213 VanDerWaalsContact O-CA 3.26Å; L150-I213 WeakPolarHBondContact O-CA 3.5Å; I152-I213 HydrophobicContact CD1-CG2 3.73Å; I152-I213 HydrophobicContact CG1-CG2 4.1Å; L162-I213 HydrophobicContact CD2-CG2 4.43Å; V167-I213 HydrophobicContact CG1-CD1 3.84Å; V167-I213 HydrophobicContact CG2-CD1 4.3Å; L186-I213 HydrophobicContact CD2-CD1 4.29Å; Y197-I213 PolarHBondContact N-O 3.06Å; Y197-I213 PolarHBondContact O-N 2.86Å; Y197-I213 VanDerWaalsContact O-O 3.13Å; C199-I213 HydrophobicContact CB-CD1 3.37Å; C199-I213 HydrophobicContact CB-CG1 4.05Å
214S94.3Very high89.8Confident30 Ų3066.7 Ų66.721%0.2137%0.367CS..EExtended strand (participates in β ladder)trans-108.1118.9171.3-52.80000109.5L150 I152L150-S214 PolarHBondContact O-N 3.02Å; I152-S214 PolarHBondContact N-O 3.06Å
215L93.5Very high89.9Confident4 Ų466.9 Ų66.92%0.02136%0.364CS..EExtended strand (participates in β ladder)trans-92.4110.2172.8-171.762.1000109.6I152 K154 F160 I191 E193 L194 G195 Y197I152-L215 HydrophobicContact CB-CD1 3.96Å; I152-L215 HydrophobicContact CG2-CD1 3.78Å; I152-L215 WeakPolarHBondContact O-CA 3.5Å; K154-L215 HydrophobicContact CB-CD1 4.24Å; F160-L215 HydrophobicContact CE1-CD1 4.19Å; I191-L215 HydrophobicContact CG2-CD2 4.38Å; E193-L215 WeakPolarHBondContact O-CD2 3.38Å; L194-L215 HydrophobicContact CD2-CD2 4.4Å; L194-L215 HydrophobicContact CD2-CG 4.03Å; G195-L215 PolarHBondContact N-O 2.79Å; G195-L215 PolarHBondContact O-N 3.31Å; Y197-L215 HydrophobicContact CE2-CB 4.48Å
216L92.3Very high90.2Very high73 Ų7371 Ų7138%0.38237%0.365SS..EExtended strand (participates in β ladder)trans-102.1151.5-175.6-60.8177.3000111K151 I152 K154K151-L216 HydrophobicContact CB-CD1 4.31Å; K151-L216 HydrophobicContact CD-CD1 4.37Å; I152-L216 PolarHBondContact O-N 3.38Å; K154-L216 WeakPolarHBondContact CB-O 3.44Å; K154-L216 PolarHBondContact N-O 3.01Å
217P91.2Very high90.5Very high67 Ų6776 Ų7644%0.43539%0.385SS..PPolyproline II helixtrans-63.2158172.428.7-34.6000111.3L194 E219L194-P217 HydrophobicContact CD1-CB 3.93Å; L194-P217 HydrophobicContact CD1-CG 4.43Å; P217-E219 PolarHBondContact O-N 2.79Å
218Y89.6Confident90.6Very high113 Ų11378.5 Ų78.544%0.44340%0.395SS..PPolyproline II helixtrans-65.5125.2171.1-175.9-99000110.5I153 K154 L156 D220I153-Y218 HydrophobicContact CG2-CD2 4.2Å; K154-Y218 VanDerWaalsContact O-CB 3.29Å; K154-Y218 WeakPolarHBondContact O-CB 3.42Å; L156-Y218 HydrophobicContact CD1-CD1 3.72Å; L156-Y218 HydrophobicContact CD1-CE1 3.58Å; L156-Y218 HydrophobicContact CD1-CG 4.33Å; L156-Y218 HydrophobicContact CD2-CD1 3.42Å; L156-Y218 VanDerWaalsContact CD2-CD1 3.42Å; L156-Y218 HydrophobicContact CD2-CE1 4.17Å; L156-Y218 HydrophobicContact CD2-CG 3.77Å; L156-Y218 HydrophobicContact CG-CD1 3.45Å; L156-Y218 VanDerWaalsContact CG-CD1 3.45Å; L156-Y218 HydrophobicContact CG-CD2 4.24Å; L156-Y218 HydrophobicContact CG-CE1 3.84Å; L156-Y218 HydrophobicContact CG-CG 3.64Å; Y218-D220 HydrophobicContact CE1-CB 4.11Å
219E83.4Confident90.6Very high133 Ų13378.1 Ų78.162%0.62139%0.389SS*.  trans-110.9123.4169.2-71.7-176.4174.200109.7P217 Q221P217-E219 PolarHBondContact O-N 2.79Å; E219-Q221 PolarHBondContact O-N 2.97Å; E219-Q221 VanDerWaalsContact O-N 3.14Å
220D85.3Confident90.6Very high70 Ų7085.6 Ų85.637%0.37442%0.421SS..  trans-74.1102.2169.8178.81.6000109.3Y218 S222 A223 V224Y218-D220 HydrophobicContact CE1-CB 4.11Å; D220-S222 VanDerWaalsContact CG-OG 3.29Å; D220-S222 PolarHBondContact O-N 2.92Å; D220-S222 VanDerWaalsContact O-N 3.16Å; D220-S222 WeakPolarHBondContact OD1-CB 3.32Å; D220-S222 PolarHBondContact OD1-N 3.19Å; D220-S222 PolarHBondContact OD1-OG 2.97Å; D220-S222 PolarHBondContact OD2-OG 2.82Å; D220-A223 HydrophobicContact CB-CB 4Å; D220-A223 PolarHBondContact O-N 2.95Å; D220-A223 VanDerWaalsContact O-N 3.12Å; D220-A223 PolarHBondContact OD1-N 3.37Å; D220-V224 WeakPolarHBondContact O-CG2 3.49Å; D220-V224 PolarHBondContact O-N 2.95Å
221Q83.6Confident90.5Very high159 Ų15981.9 Ų81.974%0.74342%0.416SS*.Hα-helixtrans-56-32179.5-64-174.4-1.900112.4E219 H225E219-Q221 PolarHBondContact O-N 2.97Å; E219-Q221 VanDerWaalsContact O-N 3.14Å; Q221-H225 VanDerWaalsContact O-CB 3.29Å; Q221-H225 WeakPolarHBondContact O-CB 3.35Å; Q221-H225 PolarHBondContact O-N 2.83Å
222S85.3Confident90.5Very high59 Ų5987.6 Ų87.641%0.41344%0.443SS..Hα-helixtrans-71.4-39.3-179.678.80000111.7D220 K226D220-S222 VanDerWaalsContact CG-OG 3.29Å; D220-S222 PolarHBondContact O-N 2.92Å; D220-S222 VanDerWaalsContact O-N 3.16Å; D220-S222 WeakPolarHBondContact OD1-CB 3.32Å; D220-S222 PolarHBondContact OD1-N 3.19Å; D220-S222 PolarHBondContact OD1-OG 2.97Å; D220-S222 PolarHBondContact OD2-OG 2.82Å; S222-K226 WeakPolarHBondContact O-CB 3.14Å; S222-K226 VanDerWaalsContact O-CG 3.27Å; S222-K226 WeakPolarHBondContact O-CG 3.4Å; S222-K226 PolarHBondContact O-N 2.69Å
223A86.3Confident90.5Very high50 Ų5094.2 Ų94.241%0.41346%0.46SS..Hα-helixtrans-68.9-41.9174.700000111.4D220 K226 K227D220-A223 HydrophobicContact CB-CB 4Å; D220-A223 PolarHBondContact O-N 2.95Å; D220-A223 VanDerWaalsContact O-N 3.12Å; D220-A223 PolarHBondContact OD1-N 3.37Å; A223-K226 PolarHBondContact O-N 2.68Å; A223-K227 WeakPolarHBondContact O-CB 3.47Å; A223-K227 PolarHBondContact O-N 2.72Å
224V87Confident90.5Very high57 Ų57102 Ų10235%0.34549%0.493SS..Hα-helixtrans-60.1-48.1175.2174.30000110.6D220 K226 K227 Q228D220-V224 WeakPolarHBondContact O-CG2 3.49Å; D220-V224 PolarHBondContact O-N 2.95Å; V224-K226 PolarHBondContact O-N 2.79Å; V224-K227 WeakPolarHBondContact O-CB 3.26Å; V224-K227 PolarHBondContact O-N 2.76Å; V224-Q228 HydrophobicContact CG1-CG 4.49Å; V224-Q228 WeakPolarHBondContact O-CG 3.23Å; V224-Q228 PolarHBondContact O-N 3.48Å
225H88.9Confident90.5Very high107 Ų107105.8 Ų105.850%0.49551%0.511SS..Hα-helixtrans-62.3-43.6179.1-178.3-148.2000112.3Q221 K227 Q228 L229Q221-H225 VanDerWaalsContact O-CB 3.29Å; Q221-H225 WeakPolarHBondContact O-CB 3.35Å; Q221-H225 PolarHBondContact O-N 2.83Å; H225-K227 VanDerWaalsContact C-N 3.3Å; H225-K227 PolarHBondContact O-N 2.77Å; H225-Q228 PolarHBondContact O-N 2.94Å; H225-L229 WeakPolarHBondContact O-CG 3.18Å; H225-L229 PolarHBondContact O-N 2.83Å
226K91.5Very high90.6Very high147 Ų147109.4 Ų109.464%0.63953%0.53SS*.Hα-helixtrans-59.5-41.1174-75.2171.3-176.5173.70112.1S222 A223 V224 K230S222-K226 WeakPolarHBondContact O-CB 3.14Å; S222-K226 VanDerWaalsContact O-CG 3.27Å; S222-K226 WeakPolarHBondContact O-CG 3.4Å; S222-K226 PolarHBondContact O-N 2.69Å; A223-K226 PolarHBondContact O-N 2.68Å; V224-K226 PolarHBondContact O-N 2.79Å; K226-K230 WeakPolarHBondContact O-CB 2.84Å; K226-K230 PolarHBondContact O-N 3.47Å
227K90.4Very high90.6Very high161 Ų161107.9 Ų107.970%0.753%0.528SS*.Hα-helixtrans-64-45.3177.2-165.8177.1-179.3-178.10110.8A223 V224 H225 K230 T231A223-K227 WeakPolarHBondContact O-CB 3.47Å; A223-K227 PolarHBondContact O-N 2.72Å; V224-K227 WeakPolarHBondContact O-CB 3.26Å; V224-K227 PolarHBondContact O-N 2.76Å; H225-K227 VanDerWaalsContact C-N 3.3Å; H225-K227 PolarHBondContact O-N 2.77Å; K227-K230 PolarHBondContact O-N 2.89Å; K227-T231 PolarHBondContact O-N 2.75Å; K227-T231 PolarHBondContact O-OG1 2.94Å
228Q91.9Very high90.6Very high112 Ų112107.4 Ų107.452%0.52353%0.53SS..Hα-helixtrans-58.3-48.9176.4-73.5174.5-5.700112.1V224 H225 K230 T231 Q232V224-Q228 HydrophobicContact CG1-CG 4.49Å; V224-Q228 WeakPolarHBondContact O-CG 3.23Å; V224-Q228 PolarHBondContact O-N 3.48Å; H225-Q228 PolarHBondContact O-N 2.94Å; Q228-K230 VanDerWaalsContact C-N 3.3Å; Q228-K230 PolarHBondContact O-N 2.65Å; Q228-T231 VanDerWaalsContact CA-OG1 3.29Å; Q228-T231 WeakPolarHBondContact CA-OG1 3.49Å; Q228-T231 PolarHBondContact O-N 3.24Å; Q228-T231 PolarHBondContact O-OG1 3.33Å; Q228-Q232 WeakPolarHBondContact O-CB 3.49Å; Q228-Q232 PolarHBondContact O-N 3.02Å
229L93.5Very high90.6Very high76 Ų76107.1 Ų107.140%0.39853%0.532SS..Hα-helixtrans-60.2-39.5176.9-71.9172.2000112.1H225 Q232 R233H225-L229 WeakPolarHBondContact O-CG 3.18Å; H225-L229 PolarHBondContact O-N 2.83Å; L229-Q232 PolarHBondContact O-N 3.27Å; L229-R233 WeakPolarHBondContact O-CB 3.37Å; L229-R233 WeakPolarHBondContact O-CG 3.37Å; L229-R233 PolarHBondContact O-N 3.28Å
230K94.3Very high90.7Very high165 Ų165108.4 Ų108.472%0.71753%0.532SS*.Hα-helixtrans-66.3-43.5177.1-170.4177.2-178.2178.50111.7K226 K227 Q228 K234K226-K230 WeakPolarHBondContact O-CB 2.84Å; K226-K230 PolarHBondContact O-N 3.47Å; K227-K230 PolarHBondContact O-N 2.89Å; Q228-K230 VanDerWaalsContact C-N 3.3Å; Q228-K230 PolarHBondContact O-N 2.65Å; K230-K234 WeakPolarHBondContact O-CB 3.48Å; K230-K234 PolarHBondContact O-N 3.07Å
231T94.9Very high90.8Very high77 Ų77109.9 Ų109.947%0.47254%0.539SS..Hα-helixtrans-63.2-42.7174.429.50000112K227 Q228 R233 K234 L235K227-T231 PolarHBondContact O-N 2.75Å; K227-T231 PolarHBondContact O-OG1 2.94Å; Q228-T231 VanDerWaalsContact CA-OG1 3.29Å; Q228-T231 WeakPolarHBondContact CA-OG1 3.49Å; Q228-T231 PolarHBondContact O-N 3.24Å; Q228-T231 PolarHBondContact O-OG1 3.33Å; T231-R233 PolarHBondContact O-N 3.43Å; T231-K234 PolarHBondContact O-N 3.46Å; T231-K234 VanDerWaalsContact O-N 3.15Å; T231-L235 WeakPolarHBondContact O-CG 2.92Å; T231-L235 PolarHBondContact O-N 3.12Å
232Q94.9Very high90.7Very high120 Ų120105.4 Ų105.456%0.56153%0.526SS*.Hα-helixtrans-64.5-41.9179.5-157.7175.832.600111.5Q228 L229 K234 L235 L236Q228-Q232 WeakPolarHBondContact O-CB 3.49Å; Q228-Q232 PolarHBondContact O-N 3.02Å; L229-Q232 PolarHBondContact O-N 3.27Å; Q232-K234 VanDerWaalsContact C-N 3.32Å; Q232-K234 PolarHBondContact O-N 2.88Å; Q232-L235 PolarHBondContact O-N 2.91Å; Q232-L236 WeakPolarHBondContact O-CB 3.26Å; Q232-L236 WeakPolarHBondContact O-CG 3.15Å; Q232-L236 PolarHBondContact O-N 3.47Å
233R93.6Very high90.5Very high198 Ų198108.1 Ų108.175%0.74753%0.532SS*.Hα-helixtrans-60.9-39.2171.9-81.5178.7153.3168.1-5.9113L229 T231 A237L229-R233 WeakPolarHBondContact O-CB 3.37Å; L229-R233 WeakPolarHBondContact O-CG 3.37Å; L229-R233 PolarHBondContact O-N 3.28Å; T231-R233 PolarHBondContact O-N 3.43Å; R233-A237 WeakPolarHBondContact O-CB 3.15Å; R233-A237 PolarHBondContact O-N 2.87Å
234K94.1Very high90.2Very high163 Ų163107.9 Ų107.971%0.70953%0.53SS*.Hα-helixtrans-70.2-38.5179.9-159.1178-177.1-171.70111.8K230 T231 Q232 A237 A238K230-K234 WeakPolarHBondContact O-CB 3.48Å; K230-K234 PolarHBondContact O-N 3.07Å; T231-K234 PolarHBondContact O-N 3.46Å; T231-K234 VanDerWaalsContact O-N 3.15Å; Q232-K234 VanDerWaalsContact C-N 3.32Å; Q232-K234 PolarHBondContact O-N 2.88Å; K234-A237 PolarHBondContact O-N 3.24Å; K234-A238 PolarHBondContact O-N 2.83Å
235L95.1Very high89.8Confident111 Ų111109.5 Ų109.558%0.58154%0.537SS*.Hα-helixtrans-63.1-47.8172.9-71.5169.1000111.2T231 Q232 A237 A238 E239T231-L235 WeakPolarHBondContact O-CG 2.92Å; T231-L235 PolarHBondContact O-N 3.12Å; Q232-L235 PolarHBondContact O-N 2.91Å; L235-A237 PolarHBondContact O-N 2.92Å; L235-A238 PolarHBondContact O-N 3.28Å; L235-E239 PolarHBondContact O-N 3.1Å
236L95.1Very high89.2Confident79 Ų79107.2 Ų107.241%0.41454%0.536SS..Hα-helixtrans-64.7-24.6177.2-74.2170.9000114.2Q232 R240Q232-L236 WeakPolarHBondContact O-CB 3.26Å; Q232-L236 WeakPolarHBondContact O-CG 3.15Å; Q232-L236 PolarHBondContact O-N 3.47Å; L236-R240 WeakPolarHBondContact O-CG 3.5Å; L236-R240 PolarHBondContact O-N 3.04Å; L236-R240 PolarHBondContact O-NH1 3.1Å
237A91.9Very high88.3Confident42 Ų42106.9 Ų106.935%0.34754%0.537SS..Hα-helixtrans-77-46.717300000110.4R233 K234 L235 E239 R240 D241R233-A237 WeakPolarHBondContact O-CB 3.15Å; R233-A237 PolarHBondContact O-N 2.87Å; K234-A237 PolarHBondContact O-N 3.24Å; L235-A237 PolarHBondContact O-N 2.92Å; A237-E239 VanDerWaalsContact C-N 3.31Å; A237-E239 PolarHBondContact O-N 2.91Å; A237-R240 WeakPolarHBondContact O-CB 3.3Å; A237-R240 PolarHBondContact O-N 2.7Å; A237-R240 VanDerWaalsContact O-N 3.09Å; A237-D241 VanDerWaalsContact O-CG 3.29Å; A237-D241 PolarHBondContact O-N 3.42Å
238A91.5Very high87.3Confident56 Ų56105.3 Ų105.346%0.46353%0.532SS..Hα-helixtrans-61.2-37.2176.300000112.9K234 L235 D241 S242K234-A238 PolarHBondContact O-N 2.83Å; L235-A238 PolarHBondContact O-N 3.28Å; A238-D241 PolarHBondContact O-N 2.99Å; A238-S242 WeakPolarHBondContact O-CB 3.44Å; A238-S242 PolarHBondContact O-N 3.47Å; A238-S242 PolarHBondContact O-OG 3.08Å
239E90.3Very high86.1Confident107 Ų107104.8 Ų104.850%0.553%0.533SS..Hα-helixtrans-63.7-39.9173.2-77.3175.2173.900112.1L235 A237 S242 Q243L235-E239 PolarHBondContact O-N 3.1Å; A237-E239 VanDerWaalsContact C-N 3.31Å; A237-E239 PolarHBondContact O-N 2.91Å; E239-S242 WeakPolarHBondContact CA-OG 3.19Å; E239-S242 PolarHBondContact O-OG 3.06Å; E239-Q243 WeakPolarHBondContact O-CB 3.33Å; E239-Q243 VanDerWaalsContact O-CG 3.28Å; E239-Q243 WeakPolarHBondContact O-CG 3.43Å; E239-Q243 PolarHBondContact O-N 2.94Å
240R86.4Confident84.8Confident161 Ų161106.5 Ų106.561%0.60854%0.542SS*.Hα-helixtrans-66.6-44.1175.4-79.5-175.4179.591.9-0.9112.2L236 A237 S242 Q243 A244L236-R240 WeakPolarHBondContact O-CG 3.5Å; L236-R240 PolarHBondContact O-N 3.04Å; L236-R240 PolarHBondContact O-NH1 3.1Å; A237-R240 WeakPolarHBondContact O-CB 3.3Å; A237-R240 PolarHBondContact O-N 2.7Å; A237-R240 VanDerWaalsContact O-N 3.09Å; R240-S242 VanDerWaalsContact C-N 3.32Å; R240-S242 PolarHBondContact O-N 3.42Å; R240-Q243 PolarHBondContact O-N 3.22Å; R240-A244 PolarHBondContact O-N 3.22Å
241D85.7Confident83.6Confident101 Ų101101.1 Ų101.154%0.5453%0.528SS..Hα-helixtrans-62.2-43.2178.6-61.3-19.8000109.8A237 A238 Q243 A244 D245A237-D241 VanDerWaalsContact O-CG 3.29Å; A237-D241 PolarHBondContact O-N 3.42Å; A238-D241 PolarHBondContact O-N 2.99Å; D241-Q243 VanDerWaalsContact C-N 3.33Å; D241-Q243 PolarHBondContact O-N 2.92Å; D241-A244 PolarHBondContact O-N 3.18Å; D241-D245 VanDerWaalsContact O-CG 3.25Å; D241-D245 PolarHBondContact O-N 3.39Å
242S83.1Confident82.2Confident65 Ų65102.1 Ų102.146%0.45553%0.53SS..Hα-helixtrans-67.2-28.6175.366.50000114.8A238 E239 R240 A246A238-S242 WeakPolarHBondContact O-CB 3.44Å; A238-S242 PolarHBondContact O-N 3.47Å; A238-S242 PolarHBondContact O-OG 3.08Å; E239-S242 WeakPolarHBondContact CA-OG 3.19Å; E239-S242 PolarHBondContact O-OG 3.06Å; R240-S242 VanDerWaalsContact C-N 3.32Å; R240-S242 PolarHBondContact O-N 3.42Å; S242-A246 WeakPolarHBondContact O-CB 3.34Å; S242-A246 PolarHBondContact O-N 3.39Å; S242-A246 VanDerWaalsContact O-N 3.1Å
243Q80.3Confident80.5Confident116 Ų116102.2 Ų102.254%0.54253%0.533SS..Hα-helixtrans-73-39.4173.7-79.2173.5-7.900110.8E239 R240 D241 A246 E247E239-Q243 WeakPolarHBondContact O-CB 3.33Å; E239-Q243 VanDerWaalsContact O-CG 3.28Å; E239-Q243 WeakPolarHBondContact O-CG 3.43Å; E239-Q243 PolarHBondContact O-N 2.94Å; R240-Q243 PolarHBondContact O-N 3.22Å; D241-Q243 VanDerWaalsContact C-N 3.33Å; D241-Q243 PolarHBondContact O-N 2.92Å; Q243-A246 PolarHBondContact O-N 2.98Å; Q243-E247 WeakPolarHBondContact O-CB 3.44Å; Q243-E247 WeakPolarHBondContact O-CG 3.33Å; Q243-E247 PolarHBondContact O-N 3.32Å
244A79.9Confident79Confident44 Ų4496.4 Ų96.436%0.36452%0.52SS..Hα-helixtrans-65.9-41.9174.700000111.7R240 D241 A246 E247 E248R240-A244 PolarHBondContact O-N 3.22Å; D241-A244 PolarHBondContact O-N 3.18Å; A244-A246 VanDerWaalsContact C-N 3.32Å; A244-A246 PolarHBondContact O-N 3.3Å; A244-E247 PolarHBondContact O-N 2.97Å; A244-E248 WeakPolarHBondContact O-CB 3.5Å; A244-E248 PolarHBondContact O-N 3.49Å
245D79.3Confident77.5Confident92 Ų9291 Ų9149%0.49251%0.506SS..Hα-helixtrans-63-38.7174.8-64.3-25.8000111.4D241 E248 D249D241-D245 VanDerWaalsContact O-CG 3.25Å; D241-D245 PolarHBondContact O-N 3.39Å; D245-E248 PolarHBondContact O-N 3.14Å; D245-D249 WeakPolarHBondContact O-CB 3.33Å; D245-D249 PolarHBondContact O-N 3.16Å
246A75.9Confident75.9Confident58 Ų5889.2 Ų89.248%0.47950%0.5SS..Hα-helixtrans-69.8-36.1175.500000112.8S242 Q243 A244 D250S242-A246 WeakPolarHBondContact O-CB 3.34Å; S242-A246 PolarHBondContact O-N 3.39Å; S242-A246 VanDerWaalsContact O-N 3.1Å; Q243-A246 PolarHBondContact O-N 2.98Å; A244-A246 VanDerWaalsContact C-N 3.32Å; A244-A246 PolarHBondContact O-N 3.3Å; A246-D250 VanDerWaalsContact O-CB 3.29Å; A246-D250 WeakPolarHBondContact O-CB 3.38Å; A246-D250 PolarHBondContact O-N 2.9Å
247E71.9Confident74Confident141 Ų14188.2 Ų88.266%0.65950%0.499SS*.Hα-helixtrans-69-35.4172.7-75175.9-174.100111.7Q243 A244 A251Q243-E247 WeakPolarHBondContact O-CB 3.44Å; Q243-E247 WeakPolarHBondContact O-CG 3.33Å; Q243-E247 PolarHBondContact O-N 3.32Å; A244-E247 PolarHBondContact O-N 2.97Å; E247-A251 WeakPolarHBondContact O-CB 3.29Å; E247-A251 PolarHBondContact O-N 2.87Å
248E70.3Confident72.2Confident127 Ų12791.5 Ų91.559%0.59351%0.511SS*.Hα-helixtrans-69.8-42.2173.4-80.6-172.7167.200112A244 D245 A251 I252A244-E248 WeakPolarHBondContact O-CB 3.5Å; A244-E248 PolarHBondContact O-N 3.49Å; D245-E248 PolarHBondContact O-N 3.14Å; E248-A251 PolarHBondContact O-N 3.4Å; E248-I252 WeakPolarHBondContact O-CB 3.32Å; E248-I252 WeakPolarHBondContact O-CD1 3.42Å; E248-I252 WeakPolarHBondContact O-CG1 3.39Å; E248-I252 PolarHBondContact O-N 3.38Å
249D65.4Low70.3Confident102 Ų10296.2 Ų96.255%0.54552%0.523SS..Hα-helixtrans-65.4-39.2174.6-78.9-20.3000111.8D245 I252 L253D245-D249 WeakPolarHBondContact O-CB 3.33Å; D245-D249 PolarHBondContact O-N 3.16Å; D249-I252 PolarHBondContact O-N 3.31Å; D249-L253 WeakPolarHBondContact O-CB 3.45Å; D249-L253 VanDerWaalsContact O-CG 3.31Å; D249-L253 WeakPolarHBondContact O-CG 3.36Å; D249-L253 PolarHBondContact O-N 3.4Å
250D67.6Low68.3Low111 Ų11198.5 Ų98.559%0.59453%0.534SS*.Hα-helixtrans-67-40.1174.3-152.731.8000110.6A246 L253 T254A246-D250 VanDerWaalsContact O-CB 3.29Å; A246-D250 WeakPolarHBondContact O-CB 3.38Å; A246-D250 PolarHBondContact O-N 2.9Å; D250-L253 PolarHBondContact O-N 3.42Å; D250-T254 PolarHBondContact O-N 2.76Å; D250-T254 PolarHBondContact O-OG1 2.94Å
251A67.5Low66.4Low52 Ų5298.4 Ų98.443%0.4354%0.54SS..Hα-helixtrans-63.4-42174.300000112.6E247 E248 T254 A255E247-A251 WeakPolarHBondContact O-CB 3.29Å; E247-A251 PolarHBondContact O-N 2.87Å; E248-A251 PolarHBondContact O-N 3.4Å; A251-T254 VanDerWaalsContact CA-OG1 3.26Å; A251-T254 WeakPolarHBondContact CA-OG1 3.44Å; A251-T254 PolarHBondContact O-N 3.19Å; A251-T254 PolarHBondContact O-OG1 3.34Å; A251-A255 PolarHBondContact O-N 2.92Å
252I65.8Low64.4Low99 Ų9997.7 Ų97.751%0.50855%0.548SS..Hα-helixtrans-65.7-41.1175.1-67.8162.1000110.3E248 D249 T254 A255 V256E248-I252 WeakPolarHBondContact O-CB 3.32Å; E248-I252 WeakPolarHBondContact O-CD1 3.42Å; E248-I252 WeakPolarHBondContact O-CG1 3.39Å; E248-I252 PolarHBondContact O-N 3.38Å; D249-I252 PolarHBondContact O-N 3.31Å; I252-T254 PolarHBondContact O-N 2.88Å; I252-A255 PolarHBondContact O-N 3.45Å; I252-V256 HydrophobicContact CG2-CG2 4.26Å; I252-V256 WeakPolarHBondContact O-CG2 3.46Å; I252-V256 PolarHBondContact O-N 3.42Å
253L60.2Low62.3Low121 Ų121103.5 Ų103.563%0.63457%0.568SS**Hα-helixtrans-61.6-41.1174.3-77.6163.7000112.3D249 D250 S257D249-L253 WeakPolarHBondContact O-CB 3.45Å; D249-L253 VanDerWaalsContact O-CG 3.31Å; D249-L253 WeakPolarHBondContact O-CG 3.36Å; D249-L253 PolarHBondContact O-N 3.4Å; D250-L253 PolarHBondContact O-N 3.42Å; L253-S257 PolarHBondContact O-N 3.36Å; L253-S257 VanDerWaalsContact O-N 3.13Å; L253-S257 PolarHBondContact O-OG 3.08Å
254T62.3Low60.2Low76 Ų76105.1 Ų105.147%0.46658%0.581SS.*Hα-helixtrans-64.6-39.117226.60000113.3D250 A251 I252 S257 D258D250-T254 PolarHBondContact O-N 2.76Å; D250-T254 PolarHBondContact O-OG1 2.94Å; A251-T254 VanDerWaalsContact CA-OG1 3.26Å; A251-T254 WeakPolarHBondContact CA-OG1 3.44Å; A251-T254 PolarHBondContact O-N 3.19Å; A251-T254 PolarHBondContact O-OG1 3.34Å; I252-T254 PolarHBondContact O-N 2.88Å; T254-S257 WeakPolarHBondContact CA-OG 3.42Å; T254-S257 PolarHBondContact O-N 3.46Å; T254-S257 PolarHBondContact O-OG 2.62Å; T254-D258 PolarHBondContact O-N 2.75Å
255A62.3Low58.2Low50 Ų50106.2 Ų106.241%0.41360%0.596SS.*Hα-helixtrans-69.1-35.7178.900000112.6A251 I252 D258 E259A251-A255 PolarHBondContact O-N 2.92Å; I252-A255 PolarHBondContact O-N 3.45Å; A255-D258 PolarHBondContact O-N 3.42Å; A255-E259 PolarHBondContact O-N 2.93Å
256V60.8Low56.1Low74 Ų74111.5 Ų111.545%0.44862%0.615SS.*Hα-helixtrans-72-31.5176.1-179.20000111.3I252 Q260I252-V256 HydrophobicContact CG2-CG2 4.26Å; I252-V256 WeakPolarHBondContact O-CG2 3.46Å; I252-V256 PolarHBondContact O-N 3.42Å; V256-Q260 PolarHBondContact O-N 3.13Å
257S56.7Low53.9Low57 Ų57115.7 Ų115.740%0.39963%0.629SS.*Hα-helixtrans-69.2-36.1168.649.90000113.1L253 T254 Q260 E261L253-S257 PolarHBondContact O-N 3.36Å; L253-S257 VanDerWaalsContact O-N 3.13Å; L253-S257 PolarHBondContact O-OG 3.08Å; T254-S257 WeakPolarHBondContact CA-OG 3.42Å; T254-S257 PolarHBondContact O-N 3.46Å; T254-S257 PolarHBondContact O-OG 2.62Å; S257-Q260 PolarHBondContact O-N 3.44Å; S257-E261 PolarHBondContact O-N 2.8Å
258D53.5Low52.2Low111 Ų111113.4 Ų113.459%0.59463%0.629SS**Hα-helixtrans-70.2-31.4177.1-75.6-18.6000112.5T254 A255T254-D258 PolarHBondContact O-N 2.75Å; A255-D258 PolarHBondContact O-N 3.42Å
259E52.2Low50.2Low156 Ų156113.3 Ų113.373%0.72964%0.637SS**Hα-helixtrans-74.6-26.6173.1-76.3-173.716500113.1A255A255-E259 PolarHBondContact O-N 2.93Å
260Q47.3Very low48.9Very low155 Ų155114.1 Ų114.172%0.72465%0.646SS**Hα-helixtrans-79.6-20172.8-89.3176-58.200113.8V256 S257V256-Q260 PolarHBondContact O-N 3.13Å; S257-Q260 PolarHBondContact O-N 3.44Å
261E46.9Very low47.4Very low158 Ų158115.6 Ų115.674%0.73866%0.658SS**THydrogen-bonded Turntrans-84.1-5.1171.8-70.7-159.8170.500113.9S257S257-E261 PolarHBondContact O-N 2.8Å
262A44.2Very low46Very low86 Ų86121.1 Ų121.171%0.71168%0.675SS**THydrogen-bonded Turntrans-88.6-9.2178.800000115.2
263E38.5Very low44.4Very low187 Ų187121.7 Ų121.787%0.87468%0.684SS**SBendtrans-101.6-11.8173.4-97.7-158.9163.100115.4
264D35.4Very low43.5Very low151 Ų151123.3 Ų123.381%0.80769%0.688SS**SBendtrans-113.791.7174.1-97.9-23.5000111
265G38.2Very low42.3Very low66 Ų66128.3 Ų128.368%0.6871%0.706SS**  trans-80.8148.117400000114.1
266K35Very low41Very low203 Ų203129.7 Ų129.788%0.88373%0.725SS**  trans71.9128.6168-67.6164171.8169.20114.4
267D31.1Very low39.8Very low146 Ų146131.8 Ų131.878%0.78174%0.743SS**  -165.6147.952.6-124.4-15.7000112
268S35.8Very low38.9Very low94 Ų94135.7 Ų135.766%0.65777%0.765SS**  trans26.8134.8146.378.70000124.1
269T28.7Very low38.9Very low125 Ų125135.8 Ų135.877%0.76777%0.774SS**  123124.4123.4-38.30000117.8
270T37.6Very low39.1Very low118 Ų118134.1 Ų134.172%0.72478%0.777SS**  trans-35.7144.8166-38.80000116.7
271V34.9Very low39.6Very low142 Ų142132.7 Ų132.786%0.86178%0.781SS**  -166.8135.8125.6162.70000110.7
272Q38.5Very low39.6Very low168 Ų168132.2 Ų132.279%0.78579%0.789SS**  trans-65157172.3-63169.1-22.300112.7
273T33.4Very low39.3Very low112 Ų112131.8 Ų131.869%0.68779%0.793SS**  168114.7125-74.20000114.1
274Q39.7Very low39.4Very low154 Ų154130.4 Ų130.472%0.7279%0.791SS**  trans60.9120.4133.5-58.41751700124.5
275Q37.8Very low39.7Very low182 Ų182128 Ų12885%0.8579%0.787SS**  69.9128.8124.3-65.4-179.84.700121.6
276G33.9Very low40.3Very low78 Ų78133 Ų13380%0.80480%0.797SS**  trans149.759146.900000117.1
277S37.4Very low41.1Very low119 Ų119132.9 Ų132.983%0.83280%0.797SS**  trans-88.9113.417060.40000111.3
278T37.7Very low41.9Very low138 Ų138139.2 Ų139.285%0.84782%0.818SS**  trans-121.2110.5163.949.30000109.7
279S52.8Low42.2Very low113 Ų113141.5 Ų141.579%0.7983%0.826SS**  trans-80.7159167.6-20.40000110.5
280P57.3Low42.9Very low122 Ų122142.4 Ų142.479%0.79283%0.829SS**  trans-124.8162.814414.46.8000113.7
281P57.1Low43.2Very low124 Ų124143.7 Ų143.781%0.80584%0.835SS**  trans-109.9161.8-147.738-27.8000114.7
282T46.7Very low43.7Very low149 Ų149143.8 Ų143.891%0.91483%0.833SS**  trans-69.8145.8162.623.90000112.1
283G38Very low44Very low76 Ų76142.3 Ų142.378%0.78484%0.836SS**  trans-176.988172.700000116.1
284N41.2Very low44.8Very low158 Ų158144.3 Ų144.385%0.84585%0.846SS**  trans32.6134.1148.3-84.9-10.5000125
285S41.4Very low45.1Very low102 Ų102143.6 Ų143.671%0.71386%0.855SS**  trans-24.8135.8143.552.90000117.6
286D51.3Low45.7Very low169 Ų169140.7 Ų140.790%0.90486%0.855SS**  trans-138.9138.2144.6-120.6-25.6000111.7
287K51.1Low46.7Very low202 Ų202145.9 Ų145.988%0.87886%0.86SS**  trans-82138.8178.5-79174.2172.8174.70110.2
288K48Very low47.5Very low279 Ų279148.4 Ų148.4100%1.21386%0.862SS**  trans-154.30137.4-134.7177.6-174177.70110.8

Retrieved 288 of 288 residues in 273.4 ms (Link to these results)