A0A5K4F6V1_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A5K4F6V1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 92 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
1M38.3Very low64.2Low246 Ų246108.5 Ų108.5100%1.21254%0.543SS*.  0102.30-144.490.8171.500107.4M3M1-M3 PolarHBondContact O-N 3.15Å
2S39.6Very low66.9Low107 Ų107110.1 Ų110.175%0.74854%0.544SS*.  trans-71.6124.9-170.361.40000111.9Y4S2-Y4 PolarHBondContact O-N 2.99Å
3M51Low69.2Low112 Ų112108.8 Ų108.855%0.55254%0.541SS*.  trans-62.1115.3172.8-165.916873.500109.9M1 K5 V10M1-M3 PolarHBondContact O-N 3.15Å; M3-K5 HydrophobicContact CE-CG 4.39Å; M3-K5 PolarHBondContact O-N 3.27Å; M3-V10 HydrophobicContact CE-CG1 4.31Å; M3-V10 HydrophobicContact CE-CG2 3.8Å; M3-V10 HydrophobicContact CG-CG1 4.38Å; M3-V10 HydrophobicContact SD-CB 4.36Å; M3-V10 HydrophobicContact SD-CG1 3.47Å; M3-V10 WeakPolarHBondContact SD-CG1 3.38Å; M3-V10 HydrophobicContact SD-CG2 3.96Å
4Y45Very low71.3Confident192 Ų192103.2 Ų103.275%0.75352%0.52SS*.  trans-64.297.1173.6-80.8-94.3000109.8S2 I6S2-Y4 PolarHBondContact O-N 2.99Å; Y4-I6 HydrophobicContact CD1-CD1 4.44Å; Y4-I6 PolarHBondContact O-N 3.04Å
5K52.3Low73.1Confident146 Ų146100.5 Ų100.564%0.63551%0.508SS*.  trans-84.580.9167.7-76.7-175.3177.2-178.10109.3M3M3-K5 HydrophobicContact CE-CG 4.39Å; M3-K5 PolarHBondContact O-N 3.27Å
6I55.3Low74.6Confident108 Ų10895.1 Ų95.155%0.55448%0.48SS*.SBendtrans-102.8118162.8-61.9173.5000105.3Y4 S9Y4-I6 HydrophobicContact CD1-CD1 4.44Å; Y4-I6 PolarHBondContact O-N 3.04Å; I6-S9 PolarHBondContact O-OG 3.03Å
7N64.6Low76Confident79 Ų7993.6 Ų93.642%0.42248%0.477SS..THydrogen-bonded Turntrans63.937.7179.2-53.2-36.6000117.5S9 I29N7-S9 PolarHBondContact O-N 2.96Å; N7-I29 HydrophobicContact CB-CD1 4.42Å
8N79.1Confident77.2Confident117 Ų11794.1 Ų94.163%0.62648%0.477SS*.THydrogen-bonded Turntrans52.629.5180-73.5-20.8000114E82N8-E82 PolarHBondContact O-N 2.94Å
9S89.8Confident78.2Confident4 Ų495.7 Ų95.73%0.02848%0.483CS..EExtended strand (participates in β ladder)trans-101.9139.2176.5740000111.5I6 N7 Y80I6-S9 PolarHBondContact O-OG 3.03Å; N7-S9 PolarHBondContact O-N 2.96Å; S9-Y80 CarbonylContact C-O 3.5Å; S9-Y80 WeakPolarHBondContact CA-O 3.47Å; S9-Y80 WeakPolarHBondContact CB-O 3.29Å
10V94.3Very high79.2Confident23 Ų2392.2 Ų92.214%0.13946%0.464CS..EExtended strand (participates in β ladder)trans-143.8122-176.2176.70000110.3M3 K12 F79 Y80M3-V10 HydrophobicContact CE-CG1 4.31Å; M3-V10 HydrophobicContact CE-CG2 3.8Å; M3-V10 HydrophobicContact CG-CG1 4.38Å; M3-V10 HydrophobicContact SD-CB 4.36Å; M3-V10 HydrophobicContact SD-CG1 3.47Å; M3-V10 WeakPolarHBondContact SD-CG1 3.38Å; M3-V10 HydrophobicContact SD-CG2 3.96Å; V10-K12 HydrophobicContact CG1-CD 4.19Å; V10-F79 CarbonylContact O-C 3.51Å; V10-F79 VanDerWaalsContact O-CA 3.28Å; V10-F79 WeakPolarHBondContact O-CA 3.34Å; V10-F79 WeakPolarHBondContact O-CB 3.32Å; V10-Y80 PolarHBondContact N-O 3Å; V10-Y80 PolarHBondContact O-N 2.78Å
11I97.1Very high80.1Confident60 Ų6089.6 Ų89.631%0.30845%0.451SS..EExtended strand (participates in β ladder)trans-75.9128.6169.3-59.6171.6000108.7A14 Q21 I77 F79I11-A14 HydrophobicContact CG2-CB 4.19Å; I11-Q21 HydrophobicContact CD1-CB 4.02Å; I11-I77 HydrophobicContact CD1-CD1 4.25Å; I11-I77 HydrophobicContact CG1-CD1 4.33Å; I11-I77 HydrophobicContact CG2-CD1 4.42Å; I11-I77 HydrophobicContact CG2-CG1 4.31Å; I11-F79 HydrophobicContact CB-CB 4.38Å; I11-F79 HydrophobicContact CG1-CB 4.06Å
12K96.6Very high82.9Confident127 Ų12783.8 Ų83.855%0.55242%0.419SS*.EExtended strand (participates in β ladder)trans-101.7-39-179.9-68-62.9-174.5178.90112.2V10 Y78 Y80V10-K12 HydrophobicContact CG1-CD 4.19Å; K12-Y78 HydrophobicContact CB-CD1 3.51Å; K12-Y78 HydrophobicContact CB-CE1 3.87Å; K12-Y78 HydrophobicContact CB-CG 4.38Å; K12-Y78 HydrophobicContact CG-CD1 4.2Å; K12-Y78 HydrophobicContact CG-CE1 4.1Å; K12-Y78 PolarHBondContact N-O 2.63Å; K12-Y80 HydrophobicContact CD-CD2 4.49Å; K12-Y80 HydrophobicContact CG-CD2 3.76Å; K12-Y80 HydrophobicContact CG-CE2 3.97Å
13N97.1Very high85.7Confident94 Ų9483.5 Ų83.550%0.50340%0.401SS..EExtended strand (participates in β ladder)trans-153.1149.2174.9-166.312000109.5F76 Y78N13-F76 HydrophobicContact CB-CE1 4.01Å; N13-Y78 PolarHBondContact N-O 2.98Å; N13-Y78 VanDerWaalsContact N-O 3.1Å; N13-Y78 PolarHBondContact O-N 2.78Å
14A97.9Very high88Confident30 Ų3078.2 Ų78.225%0.24838%0.375CS..EExtended strand (participates in β ladder)trans-156.6138.8176.400000110.3I11 M16 Q21 F76 I77I11-A14 HydrophobicContact CG2-CB 4.19Å; A14-M16 HydrophobicContact CB-CG 4.38Å; A14-Q21 HydrophobicContact CB-CG 4.03Å; A14-F76 CarbonylContact C-O 3.58Å; A14-F76 WeakPolarHBondContact CA-O 3.38Å; A14-I77 HydrophobicContact CB-CB 4.41Å; A14-I77 HydrophobicContact CB-CG1 3.99Å
15D98.1Very high90.4Very high63 Ų6370.7 Ų70.734%0.33735%0.348SS..EExtended strand (participates in β ladder)trans-125.883.7164.9178.736.7000106.3H71 D74 S75 F76D15-H71 IonicContact OD2-NE2 3.97Å; D15-D74 CarbonylContact O-C 3.51Å; D15-D74 VanDerWaalsContact O-CA 3.29Å; D15-D74 WeakPolarHBondContact O-CA 3.38Å; D15-D74 PolarHBondContact OD2-N 3.11Å; D15-S75 PolarHBondContact O-N 3.02Å; D15-F76 CarbonylContact C-O 3.55Å; D15-F76 HydrophobicContact CB-CB 4.24Å; D15-F76 PolarHBondContact N-O 2.95Å; D15-F76 PolarHBondContact O-N 3.49Å
16M98Very high92.6Very high14 Ų1467.5 Ų67.57%0.06934%0.344CS..SBendtrans-176.8164.8179.154.6169.761.500110.1A14 M20 Q21 W57 D74 F76 I77A14-M16 HydrophobicContact CB-CG 4.38Å; M16-M20 HydrophobicContact CB-CB 4.16Å; M16-M20 HydrophobicContact CB-CE 4.14Å; M16-M20 HydrophobicContact CB-SD 4.26Å; M16-M20 HydrophobicContact CE-CE 4.28Å; M16-M20 HydrophobicContact CG-CB 4.24Å; M16-M20 HydrophobicContact SD-CB 3.65Å; M16-Q21 HydrophobicContact CG-CG 3.66Å; M16-Q21 PolarHBondContact O-NE2 3.36Å; M16-Q21 HydrophobicContact SD-CG 3.92Å; M16-W57 HydrophobicContact CE-CH2 4.24Å; M16-W57 HydrophobicContact CE-CZ3 4.24Å; M16-D74 WeakPolarHBondContact CA-O 3.39Å; M16-D74 VanDerWaalsContact CB-O 3.3Å; M16-D74 WeakPolarHBondContact CB-O 3.35Å; M16-F76 VanDerWaalsContact CE-C 3.49Å; M16-I77 HydrophobicContact CE-CB 3.71Å; M16-I77 HydrophobicContact CE-CG2 3.66Å; M16-I77 HydrophobicContact SD-CB 3.82Å; M16-I77 HydrophobicContact SD-CD1 4.22Å; M16-I77 HydrophobicContact SD-CG2 4.03Å
17T97.9Very high94.6Very high70 Ų7063.1 Ų63.143%0.42932%0.321SS..  trans-59.7153.8176.965.50000113.3E19 M20 Q21T17-E19 PolarHBondContact O-N 3.06Å; T17-M20 WeakPolarHBondContact O-CB 3.42Å; T17-M20 PolarHBondContact O-N 3.45Å; T17-M20 VanDerWaalsContact O-N 3.13Å; T17-M20 WeakPolarHBondContact OG1-CB 3.32Å; T17-M20 VanDerWaalsContact OG1-CG 3.22Å; T17-M20 WeakPolarHBondContact OG1-CG 3.39Å; T17-M20 PolarHBondContact OG1-N 3.41Å; T17-Q21 WeakPolarHBondContact O-CG 3.23Å; T17-Q21 PolarHBondContact O-N 2.81Å
18H96.9Very high96.2Very high102 Ų10259.3 Ų59.347%0.47230%0.301SS..Hα-helixtrans-64-30.7-179.5-168.857.3000112.5Q21 K22H18-Q21 PolarHBondContact O-N 3.13Å; H18-K22 PolarHBondContact CD2-NZ 3.31Å; H18-K22 WeakPolarHBondContact NE2-CE 3.39Å; H18-K22 PolarHBondContact NE2-NZ 2.95Å; H18-K22 WeakPolarHBondContact O-CG 3.14Å; H18-K22 PolarHBondContact O-N 3.34Å
19E97.5Very high97Very high125 Ų12554.9 Ų54.958%0.58428%0.277SS*.Hα-helixtrans-65.1-43.7174.5-67.464.3-141.300111.1T17 K22 R23T17-E19 PolarHBondContact O-N 3.06Å; E19-K22 PolarHBondContact O-N 2.92Å; E19-R23 PolarHBondContact O-N 2.96Å
20M98.2Very high97.3Very high24 Ų2458.6 Ų58.612%0.11830%0.297CS..Hα-helixtrans-64.4-41.8173.9-73.6172.469.400111.3M16 T17 K22 R23 A24 Y53 W57M16-M20 HydrophobicContact CB-CB 4.16Å; M16-M20 HydrophobicContact CB-CE 4.14Å; M16-M20 HydrophobicContact CB-SD 4.26Å; M16-M20 HydrophobicContact CE-CE 4.28Å; M16-M20 HydrophobicContact CG-CB 4.24Å; M16-M20 HydrophobicContact SD-CB 3.65Å; T17-M20 WeakPolarHBondContact O-CB 3.42Å; T17-M20 PolarHBondContact O-N 3.45Å; T17-M20 VanDerWaalsContact O-N 3.13Å; T17-M20 WeakPolarHBondContact OG1-CB 3.32Å; T17-M20 VanDerWaalsContact OG1-CG 3.22Å; T17-M20 WeakPolarHBondContact OG1-CG 3.39Å; T17-M20 PolarHBondContact OG1-N 3.41Å; M20-K22 PolarHBondContact O-N 3.01Å; M20-R23 PolarHBondContact O-N 3.12Å; M20-A24 WeakPolarHBondContact O-CB 3.3Å; M20-A24 PolarHBondContact O-N 3.34Å; M20-Y53 HydrophobicContact CE-CD1 4.4Å; M20-Y53 HydrophobicContact CE-CE1 4.46Å; M20-Y53 HydrophobicContact CE-CG 4.48Å; M20-Y53 HydrophobicContact CG-CE1 3.79Å; M20-Y53 HydrophobicContact CG-CE2 4.43Å; M20-Y53 HydrophobicContact SD-CE1 4.25Å; M20-W57 HydrophobicContact CE-CH2 3.77Å; M20-W57 HydrophobicContact CE-CZ2 4.06Å
21Q98.3Very high97.5Very high38 Ų3857.5 Ų57.518%0.17829%0.29CS..Hα-helixtrans-59.9-46.6176.1-64.4173.930.100111.9I11 A14 M16 T17 H18 R23 A24 L25 I77I11-Q21 HydrophobicContact CD1-CB 4.02Å; A14-Q21 HydrophobicContact CB-CG 4.03Å; M16-Q21 HydrophobicContact CG-CG 3.66Å; M16-Q21 PolarHBondContact O-NE2 3.36Å; M16-Q21 HydrophobicContact SD-CG 3.92Å; T17-Q21 WeakPolarHBondContact O-CG 3.23Å; T17-Q21 PolarHBondContact O-N 2.81Å; H18-Q21 PolarHBondContact O-N 3.13Å; Q21-R23 VanDerWaalsContact C-N 3.31Å; Q21-R23 PolarHBondContact O-N 3.36Å; Q21-A24 PolarHBondContact O-N 3.28Å; Q21-L25 WeakPolarHBondContact O-CB 3.43Å; Q21-L25 PolarHBondContact O-N 3.43Å; Q21-I77 HydrophobicContact CB-CD1 4.07Å; Q21-I77 HydrophobicContact CG-CD1 4.03Å
22K97Very high97.4Very high124 Ų12455.4 Ų55.454%0.53928%0.28SS..Hα-helixtrans-59.5-41.9176.2-78.1175.3175.9162.30111.8H18 E19 M20 S26H18-K22 PolarHBondContact CD2-NZ 3.31Å; H18-K22 WeakPolarHBondContact NE2-CE 3.39Å; H18-K22 PolarHBondContact NE2-NZ 2.95Å; H18-K22 WeakPolarHBondContact O-CG 3.14Å; H18-K22 PolarHBondContact O-N 3.34Å; E19-K22 PolarHBondContact O-N 2.92Å; M20-K22 PolarHBondContact O-N 3.01Å; K22-S26 WeakPolarHBondContact O-CB 3.05Å; K22-S26 PolarHBondContact O-N 2.62Å
23R97.8Very high97.3Very high102 Ų10257 Ų5739%0.38528%0.283SS..Hα-helixtrans-65.7-47.6176.9176.1168-74.7-94.4-3.9111.7E19 M20 Q21 L25 S26 I27 F49 Y53E19-R23 PolarHBondContact O-N 2.96Å; M20-R23 PolarHBondContact O-N 3.12Å; Q21-R23 VanDerWaalsContact C-N 3.31Å; Q21-R23 PolarHBondContact O-N 3.36Å; R23-L25 VanDerWaalsContact C-N 3.29Å; R23-L25 PolarHBondContact O-N 3.42Å; R23-S26 PolarHBondContact O-N 2.95Å; R23-I27 HydrophobicContact CG-CD1 3.54Å; R23-I27 HydrophobicContact CG-CG1 4.34Å; R23-I27 WeakPolarHBondContact O-CG1 3.41Å; R23-I27 PolarHBondContact O-N 3.17Å; R23-F49 HydrophobicContact CG-CE2 4.34Å; R23-F49 HydrophobicContact CG-CZ 4.4Å; R23-Y53 WeakPolarHBondContact CD-OH 3.5Å
24A98.3Very high97.3Very high0 Ų058.8 Ų58.80%029%0.286CS..Hα-helixtrans-54.9-47.3176.300000111.2M20 Q21 I27 G28 F49 I77 F79 L88M20-A24 WeakPolarHBondContact O-CB 3.3Å; M20-A24 PolarHBondContact O-N 3.34Å; Q21-A24 PolarHBondContact O-N 3.28Å; A24-I27 PolarHBondContact O-N 2.76Å; A24-G28 PolarHBondContact O-N 3.45Å; A24-F49 HydrophobicContact CB-CE2 4.09Å; A24-F49 HydrophobicContact CB-CZ 3.64Å; A24-I77 HydrophobicContact CB-CD1 3.99Å; A24-I77 HydrophobicContact CB-CG2 4Å; A24-F79 HydrophobicContact CB-CE1 4.16Å; A24-F79 HydrophobicContact CB-CZ 4.46Å; A24-F79 WeakPolarHBondContact O-CZ 3.11Å; A24-L88 HydrophobicContact CB-CD2 4.26Å
25L97.3Very high97.3Very high35 Ų3560.3 Ų60.318%0.18329%0.286CS..Hα-helixtrans-64.7-43.8179.6-16564.5000112.1Q21 R23 G28 I29 F79 V81Q21-L25 WeakPolarHBondContact O-CB 3.43Å; Q21-L25 PolarHBondContact O-N 3.43Å; R23-L25 VanDerWaalsContact C-N 3.29Å; R23-L25 PolarHBondContact O-N 3.42Å; L25-G28 PolarHBondContact O-N 3.03Å; L25-I29 HydrophobicContact CG-CD1 4.12Å; L25-I29 VanDerWaalsContact O-CG1 3.3Å; L25-I29 WeakPolarHBondContact O-CG1 3.42Å; L25-I29 PolarHBondContact O-N 3.24Å; L25-F79 HydrophobicContact CD1-CD2 3.5Å; L25-F79 VanDerWaalsContact CD1-CD2 3.5Å; L25-F79 HydrophobicContact CD1-CE2 3.87Å; L25-F79 HydrophobicContact CD1-CG 4.27Å; L25-V81 HydrophobicContact CD1-CG2 4.46Å
26S96.9Very high97.2Very high79 Ų7965.6 Ų65.655%0.55231%0.308SS*.Hα-helixtrans-61.7-47178.1-172.20000111.9K22 R23 G28 I29 D30K22-S26 WeakPolarHBondContact O-CB 3.05Å; K22-S26 PolarHBondContact O-N 2.62Å; R23-S26 PolarHBondContact O-N 2.95Å; S26-G28 VanDerWaalsContact C-N 3.33Å; S26-I29 PolarHBondContact O-N 3.42Å; S26-D30 PolarHBondContact O-N 3.37Å
27I97.8Very high97.2Very high15 Ų1569.1 Ų69.18%0.07733%0.327CS..Hα-helixtrans-67.4-38.1177.7-62.4162.2000110R23 A24 D30 S31 L45 E48 F49R23-I27 HydrophobicContact CG-CD1 3.54Å; R23-I27 HydrophobicContact CG-CG1 4.34Å; R23-I27 WeakPolarHBondContact O-CG1 3.41Å; R23-I27 PolarHBondContact O-N 3.17Å; A24-I27 PolarHBondContact O-N 2.76Å; I27-D30 PolarHBondContact O-N 3.45Å; I27-S31 VanDerWaalsContact O-CB 3.23Å; I27-S31 WeakPolarHBondContact O-CB 3.42Å; I27-S31 PolarHBondContact O-N 3.02Å; I27-S31 PolarHBondContact O-OG 3.34Å; I27-L45 HydrophobicContact CG2-CD1 4.38Å; I27-L45 HydrophobicContact CG2-CG 3.91Å; I27-E48 HydrophobicContact CD1-CB 3.77Å; I27-E48 HydrophobicContact CD1-CG 4.14Å; I27-E48 HydrophobicContact CG2-CB 4.4Å; I27-E48 HydrophobicContact CG2-CG 4.1Å; I27-F49 HydrophobicContact CD1-CD2 4.28Å; I27-F49 HydrophobicContact CD1-CE2 3.91Å
28G97.6Very high97.2Very high0 Ų068.8 Ų68.80%032%0.32CS..Hα-helixtrans-57.9-49174.700000112.7A24 L25 S26 S31 V32A24-G28 PolarHBondContact O-N 3.45Å; L25-G28 PolarHBondContact O-N 3.03Å; S26-G28 VanDerWaalsContact C-N 3.33Å; G28-S31 PolarHBondContact O-N 3.39Å; G28-V32 VanDerWaalsContact O-CG2 3.32Å; G28-V32 WeakPolarHBondContact O-CG2 3.37Å; G28-V32 PolarHBondContact O-N 3.37Å
29I96.6Very high97.3Very high24 Ų2469.9 Ų69.912%0.12332%0.324CS..Hα-helixtrans-62.4-44.4177.5-68.6164.4000111.3N7 L25 S26 R33 V81N7-I29 HydrophobicContact CB-CD1 4.42Å; L25-I29 HydrophobicContact CG-CD1 4.12Å; L25-I29 VanDerWaalsContact O-CG1 3.3Å; L25-I29 WeakPolarHBondContact O-CG1 3.42Å; L25-I29 PolarHBondContact O-N 3.24Å; S26-I29 PolarHBondContact O-N 3.42Å; I29-R33 WeakPolarHBondContact O-CG 3.49Å; I29-R33 PolarHBondContact O-N 3.07Å; I29-V81 HydrophobicContact CG1-CG1 4.03Å; I29-V81 HydrophobicContact CG1-CG2 4.23Å
30D96.3Very high97.3Very high82 Ų8266.1 Ų66.144%0.43931%0.308SS..Hα-helixtrans-64.1-45.6177.7-174.664000111.9S26 I27 V32 R33 K34 H44S26-D30 PolarHBondContact O-N 3.37Å; I27-D30 PolarHBondContact O-N 3.45Å; D30-V32 PolarHBondContact O-N 3.36Å; D30-R33 PolarHBondContact O-N 3.26Å; D30-R33 VanDerWaalsContact O-N 3.13Å; D30-K34 WeakPolarHBondContact O-CB 3.44Å; D30-K34 PolarHBondContact O-N 3.34Å; D30-H44 IonicContact OD2-CE1 3.84Å
31S97.3Very high97.3Very high0 Ų065 Ų650%030%0.302CS..Hα-helixtrans-60.1-45.3179.3-56.50000112.4I27 G28 R33 K34 Y35 H44 L45I27-S31 VanDerWaalsContact O-CB 3.23Å; I27-S31 WeakPolarHBondContact O-CB 3.42Å; I27-S31 PolarHBondContact O-N 3.02Å; I27-S31 PolarHBondContact O-OG 3.34Å; G28-S31 PolarHBondContact O-N 3.39Å; S31-R33 PolarHBondContact O-N 3.19Å; S31-K34 PolarHBondContact O-N 2.85Å; S31-K34 VanDerWaalsContact O-N 3.15Å; S31-Y35 WeakPolarHBondContact O-CD2 3.41Å; S31-Y35 PolarHBondContact O-N 3.38Å; S31-H44 PolarHBondContact OG-ND1 2.8Å; S31-L45 WeakPolarHBondContact OG-CD1 3.37Å
32V96.1Very high97.3Very high15 Ų1563.7 Ų63.79%0.09130%0.298CS..Hα-helixtrans-63-29.8178.5168.10000111.9G28 D30 I41 V81 Y84G28-V32 VanDerWaalsContact O-CG2 3.32Å; G28-V32 WeakPolarHBondContact O-CG2 3.37Å; G28-V32 PolarHBondContact O-N 3.37Å; D30-V32 PolarHBondContact O-N 3.36Å; V32-I41 HydrophobicContact CG2-CD1 4.13Å; V32-I41 HydrophobicContact CG2-CG2 4.27Å; V32-V81 HydrophobicContact CB-CG1 3.99Å; V32-V81 HydrophobicContact CG1-CG1 4.15Å; V32-V81 HydrophobicContact CG2-CB 4.06Å; V32-V81 HydrophobicContact CG2-CG1 3.81Å; V32-Y84 HydrophobicContact CG1-CD2 3.92Å; V32-Y84 HydrophobicContact CG1-CE2 4.15Å; V32-Y84 HydrophobicContact CG2-CD2 3.92Å
33R95.2Very high97.4Very high162 Ų16261.2 Ų61.261%0.61129%0.291SS*.Hα-helixtrans-79.6-30.3175.6-69.6172.1177.1179.3-1.3113I29 D30 S31I29-R33 WeakPolarHBondContact O-CG 3.49Å; I29-R33 PolarHBondContact O-N 3.07Å; D30-R33 PolarHBondContact O-N 3.26Å; D30-R33 VanDerWaalsContact O-N 3.13Å; S31-R33 PolarHBondContact O-N 3.19Å
34K97Very high97.5Very high130 Ų13057.9 Ų57.957%0.56528%0.279SS*.Hα-helixtrans-89.1-32.8-172.8-175.7175.1176.4-173.60113.6D30 S31D30-K34 WeakPolarHBondContact O-CB 3.44Å; D30-K34 PolarHBondContact O-N 3.34Å; S31-K34 PolarHBondContact O-N 2.85Å; S31-K34 VanDerWaalsContact O-N 3.15Å
35Y97.8Very high97.5Very high63 Ų6357.9 Ų57.925%0.24728%0.279CS..  trans-122.2141.7-173-52.4-72.7000111.9S31 D40 H44S31-Y35 WeakPolarHBondContact O-CD2 3.41Å; S31-Y35 PolarHBondContact O-N 3.38Å; Y35-D40 HydrophobicContact CD1-CB 3.91Å; Y35-D40 HydrophobicContact CG-CB 3.89Å; Y35-H44 HydrophobicContact CD2-CB 4.38Å; Y35-H44 HydrophobicContact CE2-CB 3.63Å; Y35-H44 AromaticContact CE2-CG 3.66Å; Y35-H44 AromaticContact CE2-ND1 3.6Å
36E95.2Very high97.6Very high174 Ų17459.1 Ų59.181%0.81328%0.283SS*.SBendtrans-88.1-34.5178.8-62.7-174.6168.300112.9
37L97.6Very high97.6Very high87 Ų8761.7 Ų61.746%0.45529%0.285SS..SBendtrans-91.1135.5-175.2-57.6178.7000111.4K39 D40 I41L37-K39 HydrophobicContact CB-CG 4.17Å; L37-K39 PolarHBondContact O-N 3.25Å; L37-D40 PolarHBondContact O-N 3.32Å; L37-I41 PolarHBondContact O-N 3.42Å
38E98.3Very high97.7Very high63 Ų6363.7 Ų63.729%0.29429%0.294SS..Hα-helixtrans-54.5-39179-69.784.5173.100112.6D40 I41 A42 V61 R63 Y84E38-D40 VanDerWaalsContact C-N 3.3Å; E38-D40 PolarHBondContact O-N 3.28Å; E38-I41 PolarHBondContact O-N 3.22Å; E38-A42 WeakPolarHBondContact O-CB 3.45Å; E38-A42 PolarHBondContact O-N 3.47Å; E38-V61 HydrophobicContact CB-CB 4.25Å; E38-V61 HydrophobicContact CB-CG1 4.12Å; E38-V61 HydrophobicContact CG-CG1 4.15Å; E38-R63 IonicContact OE1-NE 3.78Å; E38-Y84 HydrophobicContact CG-CD1 4.02Å; E38-Y84 HydrophobicContact CG-CE1 3.65Å; E38-Y84 WeakPolarHBondContact OE1-CE1 3.21Å
39K98.4Very high97.7Very high125 Ų12563.7 Ų63.754%0.54329%0.294SS..Hα-helixtrans-61.9-36.717972.6179.4-176.367.40112.6L37 A42 D43L37-K39 HydrophobicContact CB-CG 4.17Å; L37-K39 PolarHBondContact O-N 3.25Å; K39-A42 PolarHBondContact O-N 2.85Å; K39-D43 WeakPolarHBondContact O-CB 3.47Å; K39-D43 PolarHBondContact O-N 3.45Å
40D98.5Very high97.8Very high47 Ų4764 Ų6425%0.25130%0.295SS..Hα-helixtrans-77.3-34-176.8-61.6-28.7000110.4Y35 L37 E38 H44Y35-D40 HydrophobicContact CD1-CB 3.91Å; Y35-D40 HydrophobicContact CG-CB 3.89Å; L37-D40 PolarHBondContact O-N 3.32Å; E38-D40 VanDerWaalsContact C-N 3.3Å; E38-D40 PolarHBondContact O-N 3.28Å; D40-H44 WeakPolarHBondContact O-CB 3.29Å; D40-H44 PolarHBondContact O-N 2.95Å
41I98.5Very high97.9Very high0 Ų067.7 Ų67.70%031%0.31CS..Hα-helixtrans-61.3-52.1169.4-58170.8000109.3V32 L37 E38 D43 H44 L45 V61 Y84V32-I41 HydrophobicContact CG2-CD1 4.13Å; V32-I41 HydrophobicContact CG2-CG2 4.27Å; L37-I41 PolarHBondContact O-N 3.42Å; E38-I41 PolarHBondContact O-N 3.22Å; I41-D43 PolarHBondContact O-N 3.06Å; I41-H44 PolarHBondContact O-N 2.95Å; I41-L45 HydrophobicContact CG2-CD1 3.91Å; I41-L45 WeakPolarHBondContact O-CD1 3.32Å; I41-L45 PolarHBondContact O-N 2.91Å; I41-V61 HydrophobicContact CB-CG1 4.29Å; I41-V61 HydrophobicContact CB-CG2 4.25Å; I41-V61 HydrophobicContact CD1-CG1 4.38Å; I41-V61 HydrophobicContact CG2-CG1 4.12Å; I41-V61 HydrophobicContact CG2-CG2 3.86Å; I41-Y84 HydrophobicContact CD1-CD2 4.41Å; I41-Y84 HydrophobicContact CD1-CE2 4.26Å
42A98.8Very high97.9Very high10 Ų1073.7 Ų73.78%0.08334%0.336CS..Hα-helixtrans-58.6-47.5-179.900000112.1E38 K39 H44 L45 K46 C59 V61E38-A42 WeakPolarHBondContact O-CB 3.45Å; E38-A42 PolarHBondContact O-N 3.47Å; K39-A42 PolarHBondContact O-N 2.85Å; A42-H44 VanDerWaalsContact C-N 3.3Å; A42-H44 PolarHBondContact O-N 3.39Å; A42-L45 PolarHBondContact O-N 2.93Å; A42-K46 WeakPolarHBondContact O-CB 3.43Å; A42-K46 PolarHBondContact O-N 3.49Å; A42-C59 HydrophobicContact CB-CB 4.18Å; A42-C59 WeakPolarHBondContact O-CB 3.28Å; A42-V61 HydrophobicContact CB-CB 4.27Å; A42-V61 HydrophobicContact CB-CG2 3.79Å
43D98.7Very high98Very high73 Ų7376.2 Ų76.239%0.3934%0.344SS..Hα-helixtrans-61.2-37.4178.9-82.9-7.5000112.2K39 I41 K47K39-D43 WeakPolarHBondContact O-CB 3.47Å; K39-D43 PolarHBondContact O-N 3.45Å; I41-D43 PolarHBondContact O-N 3.06Å; D43-K47 WeakPolarHBondContact O-CB 3.45Å; D43-K47 WeakPolarHBondContact O-CG 3.23Å; D43-K47 PolarHBondContact O-N 3.45Å
44H98.7Very high98.1Very high31 Ų3169.8 Ų69.814%0.14433%0.328CS..Hα-helixtrans-66-49.7177.9-174-142.5000111.8D30 S31 Y35 D40 I41 A42 K46 K47 E48D30-H44 IonicContact OD2-CE1 3.84Å; S31-H44 PolarHBondContact OG-ND1 2.8Å; Y35-H44 HydrophobicContact CD2-CB 4.38Å; Y35-H44 HydrophobicContact CE2-CB 3.63Å; Y35-H44 AromaticContact CE2-CG 3.66Å; Y35-H44 AromaticContact CE2-ND1 3.6Å; D40-H44 WeakPolarHBondContact O-CB 3.29Å; D40-H44 PolarHBondContact O-N 2.95Å; I41-H44 PolarHBondContact O-N 2.95Å; A42-H44 VanDerWaalsContact C-N 3.3Å; A42-H44 PolarHBondContact O-N 3.39Å; H44-K46 VanDerWaalsContact C-N 3.34Å; H44-K46 PolarHBondContact O-N 2.99Å; H44-K47 PolarHBondContact O-N 3.13Å; H44-E48 WeakPolarHBondContact O-CG 3.45Å; H44-E48 PolarHBondContact O-N 3.3Å
45L98.5Very high98.2Very high0 Ų067.8 Ų67.80%033%0.329CS..Hα-helixtrans-60.4-45.6177.3-82.288.4000111.4I27 S31 I41 A42 K47 E48 F49 C59 F79 V86 L88I27-L45 HydrophobicContact CG2-CD1 4.38Å; I27-L45 HydrophobicContact CG2-CG 3.91Å; S31-L45 WeakPolarHBondContact OG-CD1 3.37Å; I41-L45 HydrophobicContact CG2-CD1 3.91Å; I41-L45 WeakPolarHBondContact O-CD1 3.32Å; I41-L45 PolarHBondContact O-N 2.91Å; A42-L45 PolarHBondContact O-N 2.93Å; L45-K47 PolarHBondContact O-N 3.42Å; L45-E48 PolarHBondContact O-N 2.97Å; L45-F49 WeakPolarHBondContact O-CB 3.45Å; L45-F49 WeakPolarHBondContact O-CD2 3.22Å; L45-F49 PolarHBondContact O-N 2.81Å; L45-C59 HydrophobicContact CB-CB 4.48Å; L45-F79 HydrophobicContact CD2-CE1 4.46Å; L45-F79 HydrophobicContact CD2-CZ 3.96Å; L45-V86 HydrophobicContact CD2-CG1 3.67Å; L45-L88 HydrophobicContact CB-CD1 4.45Å; L45-L88 HydrophobicContact CD2-CD2 4.39Å
46K98.7Very high98.2Very high62 Ų6267.6 Ų67.627%0.2733%0.334SS..Hα-helixtrans-55.4-52.1177.4179.7-173.6-176.1-52.40111A42 H44 E48 F49 D50 W57 C59A42-K46 WeakPolarHBondContact O-CB 3.43Å; A42-K46 PolarHBondContact O-N 3.49Å; H44-K46 VanDerWaalsContact C-N 3.34Å; H44-K46 PolarHBondContact O-N 2.99Å; K46-E48 PolarHBondContact O-N 3.37Å; K46-F49 PolarHBondContact O-N 3.28Å; K46-D50 IonicContact NZ-OD2 2.63Å; K46-D50 PolarHBondContact NZ-OD2 3.48Å; K46-D50 WeakPolarHBondContact O-CB 3.36Å; K46-D50 PolarHBondContact O-N 3.49Å; K46-W57 WeakPolarHBondContact CE-O 3.49Å; K46-W57 HydrophobicContact CG-CB 4.45Å; K46-W57 WeakPolarHBondContact CG-O 3.41Å; K46-C59 HydrophobicContact CB-CB 4.18Å
47K98.6Very high98.4Very high133 Ų13359.4 Ų59.458%0.57830%0.296SS*.Hα-helixtrans-62.6-43.9-177.7-74.9171.8-175.41720112.4D43 H44 L45 F49 D50 Q51D43-K47 WeakPolarHBondContact O-CB 3.45Å; D43-K47 WeakPolarHBondContact O-CG 3.23Å; D43-K47 PolarHBondContact O-N 3.45Å; H44-K47 PolarHBondContact O-N 3.13Å; L45-K47 PolarHBondContact O-N 3.42Å; K47-F49 VanDerWaalsContact C-N 3.31Å; K47-F49 PolarHBondContact O-N 2.8Å; K47-D50 PolarHBondContact O-N 3.32Å; K47-Q51 VanDerWaalsContact O-CB 3.29Å; K47-Q51 WeakPolarHBondContact O-CB 3.33Å; K47-Q51 PolarHBondContact O-N 2.98Å
48E98.6Very high98.4Very high57 Ų5758.2 Ų58.227%0.26629%0.288SS..Hα-helixtrans-60.9-41.8177-76.2-70.8125.100111.8I27 H44 L45 K46 K52I27-E48 HydrophobicContact CD1-CB 3.77Å; I27-E48 HydrophobicContact CD1-CG 4.14Å; I27-E48 HydrophobicContact CG2-CB 4.4Å; I27-E48 HydrophobicContact CG2-CG 4.1Å; H44-E48 WeakPolarHBondContact O-CG 3.45Å; H44-E48 PolarHBondContact O-N 3.3Å; L45-E48 PolarHBondContact O-N 2.97Å; K46-E48 PolarHBondContact O-N 3.37Å; E48-K52 VanDerWaalsContact O-CB 3.23Å; E48-K52 WeakPolarHBondContact O-CB 3.22Å; E48-K52 PolarHBondContact O-N 2.9Å
49F98.6Very high98.4Very high0 Ų056.2 Ų56.20%028%0.28CS..Hα-helixtrans-74.9-40.1179.5-90.5-107000113.1R23 A24 I27 L45 K46 K47 Q51 K52 Y53 W57 L88R23-F49 HydrophobicContact CG-CE2 4.34Å; R23-F49 HydrophobicContact CG-CZ 4.4Å; A24-F49 HydrophobicContact CB-CE2 4.09Å; A24-F49 HydrophobicContact CB-CZ 3.64Å; I27-F49 HydrophobicContact CD1-CD2 4.28Å; I27-F49 HydrophobicContact CD1-CE2 3.91Å; L45-F49 WeakPolarHBondContact O-CB 3.45Å; L45-F49 WeakPolarHBondContact O-CD2 3.22Å; L45-F49 PolarHBondContact O-N 2.81Å; K46-F49 PolarHBondContact O-N 3.28Å; K47-F49 VanDerWaalsContact C-N 3.31Å; K47-F49 PolarHBondContact O-N 2.8Å; F49-Q51 VanDerWaalsContact C-N 3.29Å; F49-Q51 PolarHBondContact O-N 2.96Å; F49-K52 PolarHBondContact O-N 3.45Å; F49-Y53 HydrophobicContact CB-CD2 4.36Å; F49-Y53 AromaticContact CD1-CD2 3.39Å; F49-Y53 HydrophobicContact CD1-CD2 3.39Å; F49-Y53 AromaticContact CD1-CE2 3.7Å; F49-Y53 HydrophobicContact CD1-CE2 3.7Å; F49-Y53 HydrophobicContact CD1-CG 4.48Å; F49-Y53 AromaticContact CE1-CD2 3.72Å; F49-Y53 HydrophobicContact CE1-CD2 3.72Å; F49-Y53 AromaticContact CE1-CE2 3.54Å; F49-Y53 HydrophobicContact CE1-CE2 3.54Å; F49-Y53 AromaticContact CG-CD2 3.95Å; F49-Y53 HydrophobicContact CG-CD2 3.95Å; F49-Y53 HydrophobicContact CG-CE2 4.28Å; F49-Y53 AromaticContact CZ-CE2 3.99Å; F49-Y53 HydrophobicContact CZ-CE2 3.99Å; F49-Y53 WeakPolarHBondContact O-CA 3.46Å; F49-Y53 WeakPolarHBondContact O-CB 3.47Å; F49-Y53 PolarHBondContact O-N 2.93Å; F49-W57 VanDerWaalsContact C-CD1 3.47Å; F49-W57 HydrophobicContact CB-CB 4.2Å; F49-W57 HydrophobicContact CB-CD2 3.65Å; F49-W57 HydrophobicContact CB-CE3 4.15Å; F49-W57 HydrophobicContact CB-CG 3.64Å; F49-W57 AromaticContact CD1-CD2 3.85Å; F49-W57 HydrophobicContact CD1-CD2 3.85Å; F49-W57 AromaticContact CD1-CE2 3.78Å; F49-W57 AromaticContact CD1-CE3 3.77Å; F49-W57 HydrophobicContact CD1-CE3 3.77Å; F49-W57 AromaticContact CD1-CH2 3.6Å; F49-W57 HydrophobicContact CD1-CH2 3.6Å; F49-W57 AromaticContact CD1-CZ2 3.68Å; F49-W57 HydrophobicContact CD1-CZ2 3.68Å; F49-W57 AromaticContact CD1-CZ3 3.65Å; F49-W57 HydrophobicContact CD1-CZ3 3.65Å; F49-W57 HydrophobicContact CE1-CH2 4.02Å; F49-W57 HydrophobicContact CE1-CZ2 4.4Å; F49-W57 HydrophobicContact CE1-CZ3 4.14Å; F49-W57 HydrophobicContact CG-CD2 4.18Å; F49-W57 HydrophobicContact CG-CE3 4.27Å; F49-W57 PolarHBondContact O-NE1 3.01Å; F49-L88 HydrophobicContact CD1-CD2 3.78Å; F49-L88 HydrophobicContact CD2-CD2 3.64Å; F49-L88 HydrophobicContact CE1-CD2 3.75Å; F49-L88 HydrophobicContact CE2-CD2 3.59Å; F49-L88 HydrophobicContact CG-CD1 4.47Å; F49-L88 HydrophobicContact CG-CD2 3.75Å; F49-L88 HydrophobicContact CZ-CD2 3.67Å
50D98.5Very high98.4Very high29 Ų2953.4 Ų53.416%0.15527%0.271CS..Hα-helixtrans-56.7-45.4170.8-78.5-24000110.9K46 K47 G54 P55 W57K46-D50 IonicContact NZ-OD2 2.63Å; K46-D50 PolarHBondContact NZ-OD2 3.48Å; K46-D50 WeakPolarHBondContact O-CB 3.36Å; K46-D50 PolarHBondContact O-N 3.49Å; K47-D50 PolarHBondContact O-N 3.32Å; D50-G54 CarbonylContact O-C 3.51Å; D50-G54 WeakPolarHBondContact O-CA 3.35Å; D50-G54 PolarHBondContact O-N 3.44Å; D50-P55 WeakPolarHBondContact OD1-CA 3.36Å; D50-W57 WeakPolarHBondContact OD1-CB 3.39Å; D50-W57 PolarHBondContact OD1-N 2.83Å
51Q98.3Very high98.4Very high161 Ų16151.9 Ų51.975%0.75226%0.263SS*.Hα-helixtrans-67.5-41.2179.8-173.1179.32200112.1K47 F49K47-Q51 VanDerWaalsContact O-CB 3.29Å; K47-Q51 WeakPolarHBondContact O-CB 3.33Å; K47-Q51 PolarHBondContact O-N 2.98Å; F49-Q51 VanDerWaalsContact C-N 3.29Å; F49-Q51 PolarHBondContact O-N 2.96Å
52K98.2Very high98.4Very high126 Ų12652.4 Ų52.455%0.54827%0.269SS..Hα-helixtrans-84.7-37-173.3-176.459.1-178.5174.30113.9E48 F49E48-K52 VanDerWaalsContact O-CB 3.23Å; E48-K52 WeakPolarHBondContact O-CB 3.22Å; E48-K52 PolarHBondContact O-N 2.9Å; F49-K52 PolarHBondContact O-N 3.45Å
53Y97.8Very high98.3Very high68 Ų6858.8 Ų58.827%0.26729%0.291SS..Hα-helixtrans-1216.7-169.6-57.4-69.7000113M20 R23 F49 W57 K90M20-Y53 HydrophobicContact CE-CD1 4.4Å; M20-Y53 HydrophobicContact CE-CE1 4.46Å; M20-Y53 HydrophobicContact CE-CG 4.48Å; M20-Y53 HydrophobicContact CG-CE1 3.79Å; M20-Y53 HydrophobicContact CG-CE2 4.43Å; M20-Y53 HydrophobicContact SD-CE1 4.25Å; R23-Y53 WeakPolarHBondContact CD-OH 3.5Å; F49-Y53 HydrophobicContact CB-CD2 4.36Å; F49-Y53 AromaticContact CD1-CD2 3.39Å; F49-Y53 HydrophobicContact CD1-CD2 3.39Å; F49-Y53 AromaticContact CD1-CE2 3.7Å; F49-Y53 HydrophobicContact CD1-CE2 3.7Å; F49-Y53 HydrophobicContact CD1-CG 4.48Å; F49-Y53 AromaticContact CE1-CD2 3.72Å; F49-Y53 HydrophobicContact CE1-CD2 3.72Å; F49-Y53 AromaticContact CE1-CE2 3.54Å; F49-Y53 HydrophobicContact CE1-CE2 3.54Å; F49-Y53 AromaticContact CG-CD2 3.95Å; F49-Y53 HydrophobicContact CG-CD2 3.95Å; F49-Y53 HydrophobicContact CG-CE2 4.28Å; F49-Y53 AromaticContact CZ-CE2 3.99Å; F49-Y53 HydrophobicContact CZ-CE2 3.99Å; F49-Y53 WeakPolarHBondContact O-CA 3.46Å; F49-Y53 WeakPolarHBondContact O-CB 3.47Å; F49-Y53 PolarHBondContact O-N 2.93Å; Y53-W57 HydrophobicContact CD2-CZ2 4.36Å; Y53-W57 HydrophobicContact CG-CZ2 4.31Å; Y53-K90 PolarHBondContact O-NZ 2.91Å
54G97.8Very high98.2Very high26 Ų2662.9 Ų62.927%0.26831%0.312SS..  trans77.3145.8179.900000112.7D50 W57 K90D50-G54 CarbonylContact O-C 3.51Å; D50-G54 WeakPolarHBondContact O-CA 3.35Å; D50-G54 PolarHBondContact O-N 3.44Å; G54-W57 PolarHBondContact O-NE1 2.88Å; G54-K90 PolarHBondContact O-NZ 2.96Å
55P97.8Very high98.1Very high89 Ų8963.9 Ų63.958%0.57832%0.316SS*.SBendtrans-65.5162.1178.330.1-36.1000112.3D50 K90D50-P55 WeakPolarHBondContact OD1-CA 3.36Å; P55-K90 WeakPolarHBondContact O-CE 3.42Å; P55-K90 PolarHBondContact O-NZ 2.92Å
56T97.7Very high98Very high59 Ų5967.6 Ų67.636%0.36236%0.355SS..  cis-113.1108.43.7-54.40000111.6H58 K90 S91T56-H58 PolarHBondContact O-CD2 2.78Å; T56-K90 WeakPolarHBondContact O-CG 3.3Å; T56-S91 PolarHBondContact O-N 3.08Å; T56-S91 VanDerWaalsContact O-N 3.09Å
57W98.7Very high97.9Very high2 Ų267.7 Ų67.71%0.00836%0.363CS..EExtended strand (participates in β ladder)trans-81.9150.1171.2-68.981.3000111.1M16 M20 K46 F49 D50 Y53 G54 L88 Y89 K90M16-W57 HydrophobicContact CE-CH2 4.24Å; M16-W57 HydrophobicContact CE-CZ3 4.24Å; M20-W57 HydrophobicContact CE-CH2 3.77Å; M20-W57 HydrophobicContact CE-CZ2 4.06Å; K46-W57 WeakPolarHBondContact CE-O 3.49Å; K46-W57 HydrophobicContact CG-CB 4.45Å; K46-W57 WeakPolarHBondContact CG-O 3.41Å; F49-W57 VanDerWaalsContact C-CD1 3.47Å; F49-W57 HydrophobicContact CB-CB 4.2Å; F49-W57 HydrophobicContact CB-CD2 3.65Å; F49-W57 HydrophobicContact CB-CE3 4.15Å; F49-W57 HydrophobicContact CB-CG 3.64Å; F49-W57 AromaticContact CD1-CD2 3.85Å; F49-W57 HydrophobicContact CD1-CD2 3.85Å; F49-W57 AromaticContact CD1-CE2 3.78Å; F49-W57 AromaticContact CD1-CE3 3.77Å; F49-W57 HydrophobicContact CD1-CE3 3.77Å; F49-W57 AromaticContact CD1-CH2 3.6Å; F49-W57 HydrophobicContact CD1-CH2 3.6Å; F49-W57 AromaticContact CD1-CZ2 3.68Å; F49-W57 HydrophobicContact CD1-CZ2 3.68Å; F49-W57 AromaticContact CD1-CZ3 3.65Å; F49-W57 HydrophobicContact CD1-CZ3 3.65Å; F49-W57 HydrophobicContact CE1-CH2 4.02Å; F49-W57 HydrophobicContact CE1-CZ2 4.4Å; F49-W57 HydrophobicContact CE1-CZ3 4.14Å; F49-W57 HydrophobicContact CG-CD2 4.18Å; F49-W57 HydrophobicContact CG-CE3 4.27Å; F49-W57 PolarHBondContact O-NE1 3.01Å; D50-W57 WeakPolarHBondContact OD1-CB 3.39Å; D50-W57 PolarHBondContact OD1-N 2.83Å; Y53-W57 HydrophobicContact CD2-CZ2 4.36Å; Y53-W57 HydrophobicContact CG-CZ2 4.31Å; G54-W57 PolarHBondContact O-NE1 2.88Å; W57-L88 HydrophobicContact CE3-CD1 3.89Å; W57-L88 HydrophobicContact CE3-CD2 4.41Å; W57-L88 HydrophobicContact CE3-CG 3.8Å; W57-L88 HydrophobicContact CZ3-CD2 4.44Å; W57-L88 HydrophobicContact CZ3-CG 4.05Å; W57-Y89 WeakPolarHBondContact CA-O 3.5Å; W57-K90 HydrophobicContact CD2-CB 4.09Å; W57-K90 HydrophobicContact CD2-CG 4.42Å; W57-K90 HydrophobicContact CE3-CB 4.21Å; W57-K90 HydrophobicContact CH2-CB 4.42Å; W57-K90 HydrophobicContact CZ2-CB 4.31Å; W57-K90 HydrophobicContact CZ2-CD 4.36Å; W57-K90 HydrophobicContact CZ3-CB 4.38Å
58H98.7Very high97.8Very high61 Ų6167.5 Ų67.528%0.28238%0.378SS..EExtended strand (participates in β ladder)trans-126.2138.9174.6-58.4-88.5000107.9T56 L88 Y89 S91T56-H58 PolarHBondContact O-CD2 2.78Å; H58-L88 WeakPolarHBondContact O-CA 3.38Å; H58-Y89 HydrophobicContact CB-CD1 4.14Å; H58-Y89 HydrophobicContact CB-CD2 4.36Å; H58-Y89 HydrophobicContact CB-CE1 3.64Å; H58-Y89 HydrophobicContact CB-CE2 3.88Å; H58-Y89 HydrophobicContact CB-CG 4.48Å; H58-Y89 VanDerWaalsContact CB-CZ 3.49Å; H58-Y89 AromaticContact CD2-CE2 3.87Å; H58-Y89 AromaticContact CG-CZ 3.96Å; H58-Y89 PolarHBondContact N-O 3.48Å; H58-Y89 PolarHBondContact O-N 2.92Å; H58-S91 PolarHBondContact NE2-O 2.91Å
59C98.8Very high97.7Very high21 Ų2167.2 Ų67.214%0.14238%0.378CS..EExtended strand (participates in β ladder)trans-133.2132.9177.4-167.20000110A42 L45 K46 L87 L88A42-C59 HydrophobicContact CB-CB 4.18Å; A42-C59 WeakPolarHBondContact O-CB 3.28Å; L45-C59 HydrophobicContact CB-CB 4.48Å; K46-C59 HydrophobicContact CB-CB 4.18Å; C59-L87 CarbonylContact C-O 2.91Å; C59-L87 VanDerWaalsContact CA-O 3.32Å; C59-L87 WeakPolarHBondContact CA-O 3.46Å; C59-L88 HydrophobicContact CB-CD1 3.89Å
60I98.6Very high97.6Very high66 Ų6673 Ų7334%0.33841%0.414SS..EExtended strand (participates in β ladder)trans-120.9129.3174-60.4168.6000107.1F65 V86 L87 Y89I60-F65 HydrophobicContact CG2-CD1 4.45Å; I60-F65 HydrophobicContact CG2-CD2 4.48Å; I60-F65 HydrophobicContact CG2-CE1 4.31Å; I60-F65 HydrophobicContact CG2-CE2 4.36Å; I60-F65 HydrophobicContact CG2-CZ 4.27Å; I60-V86 WeakPolarHBondContact O-CA 3.41Å; I60-L87 HydrophobicContact CB-CB 4.28Å; I60-L87 HydrophobicContact CD1-CD2 4.28Å; I60-L87 PolarHBondContact N-O 2.8Å; I60-L87 PolarHBondContact O-N 2.8Å; I60-Y89 HydrophobicContact CD1-CE1 4.41Å
61V98.7Very high97.6Very high16 Ų1674.6 Ų74.610%0.09742%0.42CS..EExtended strand (participates in β ladder)trans-125.7132.1176179.20000108.1E38 I41 A42 Y84 A85 V86E38-V61 HydrophobicContact CB-CB 4.25Å; E38-V61 HydrophobicContact CB-CG1 4.12Å; E38-V61 HydrophobicContact CG-CG1 4.15Å; I41-V61 HydrophobicContact CB-CG1 4.29Å; I41-V61 HydrophobicContact CB-CG2 4.25Å; I41-V61 HydrophobicContact CD1-CG1 4.38Å; I41-V61 HydrophobicContact CG2-CG1 4.12Å; I41-V61 HydrophobicContact CG2-CG2 3.86Å; A42-V61 HydrophobicContact CB-CB 4.27Å; A42-V61 HydrophobicContact CB-CG2 3.79Å; V61-Y84 HydrophobicContact CG1-CD1 3.95Å; V61-Y84 HydrophobicContact CG1-CG 4.23Å; V61-A85 WeakPolarHBondContact CA-O 3.31Å; V61-V86 HydrophobicContact CG2-CG1 4.31Å; V61-V86 HydrophobicContact CG2-CG2 4.28Å
62G98.3Very high97.6Very high11 Ų1169.8 Ų69.811%0.11340%0.398CS..EExtended strand (participates in β ladder)trans-170165.8179.500000112.6A85G62-A85 PolarHBondContact N-O 3.5Å; G62-A85 VanDerWaalsContact N-O 3.08Å; G62-A85 WeakPolarHBondContact O-CB 3.35Å; G62-A85 PolarHBondContact O-N 2.83Å
63R96.8Very high97.5Very high144 Ų14468.6 Ų68.654%0.54340%0.403SS..SBendtrans-89.3-25.7176.6-58.6-177.6-169.2173.25.4112.6E38 Y84E38-R63 IonicContact OE1-NE 3.78Å; R63-Y84 HydrophobicContact CG-CD1 4.2Å; R63-Y84 HydrophobicContact CG-CE1 4.24Å
64N95.4Very high97.5Very high159 Ų15970.2 Ų70.285%0.8542%0.416SS*.SBendtrans-150.9113179.1-176.328000109.6
65F97.9Very high97.5Very high52 Ų5269.8 Ų69.823%0.22841%0.409CS..  trans-155.1153.9171.662.9-93.2000110.3I60 Y78 A85 L87I60-F65 HydrophobicContact CG2-CD1 4.45Å; I60-F65 HydrophobicContact CG2-CD2 4.48Å; I60-F65 HydrophobicContact CG2-CE1 4.31Å; I60-F65 HydrophobicContact CG2-CE2 4.36Å; I60-F65 HydrophobicContact CG2-CZ 4.27Å; F65-Y78 HydrophobicContact CE2-CE2 4.22Å; F65-Y78 AromaticContact CZ-CE2 3.89Å; F65-Y78 HydrophobicContact CZ-CE2 3.89Å; F65-A85 HydrophobicContact CD1-CB 4.41Å; F65-A85 HydrophobicContact CE1-CB 3.52Å; F65-A85 HydrophobicContact CZ-CB 3.88Å; F65-L87 HydrophobicContact CE2-CB 4.1Å; F65-L87 HydrophobicContact CE2-CD2 4.26Å; F65-L87 HydrophobicContact CZ-CB 4.04Å
66G96.7Very high97.6Very high78 Ų7866.5 Ų66.580%0.80439%0.386SS*.  trans-108.3152.1160.500000109.1
67S95.8Very high97.6Very high64 Ų6463.7 Ų63.745%0.44837%0.369SS..  trans-139.6137.7179.659.10000110.6L87S67-L87 WeakPolarHBondContact OG-CD2 3.19Å
68S96.3Very high97.6Very high128 Ų12866 Ų6690%0.89538%0.378SS*.  trans-126.9106.1165.1-174.60000106.6
69I96.4Very high97.6Very high51 Ų5163.1 Ų63.126%0.26236%0.364SS..  trans-132.2154.1-17264.685.3000110.4H71 F76 Y89I69-H71 HydrophobicContact CD1-CB 3.92Å; I69-H71 VanDerWaalsContact CD1-ND1 3.3Å; I69-H71 WeakPolarHBondContact CD1-ND1 3.36Å; I69-F76 HydrophobicContact CD1-CD2 3.95Å; I69-F76 HydrophobicContact CD1-CE2 3.98Å; I69-F76 HydrophobicContact CG1-CE2 4.46Å; I69-Y89 HydrophobicContact CB-CE2 4.43Å; I69-Y89 HydrophobicContact CD1-CD1 4.39Å; I69-Y89 HydrophobicContact CD1-CD2 3.95Å; I69-Y89 HydrophobicContact CD1-CE2 4.35Å; I69-Y89 HydrophobicContact CD1-CG 3.97Å; I69-Y89 HydrophobicContact CG2-CE1 4.46Å
70T97Very high97.5Very high122 Ų12265.8 Ų65.875%0.74837%0.372SS*.  trans-105.1141.7165.1-55.50000108
71H97.5Very high97.3Very high62 Ų6262.8 Ų62.829%0.28736%0.357SS..  trans-138.8158.9179.554.7-85.2000110.5D15 I69 F76 Y89 K90D15-H71 IonicContact OD2-NE2 3.97Å; I69-H71 HydrophobicContact CD1-CB 3.92Å; I69-H71 VanDerWaalsContact CD1-ND1 3.3Å; I69-H71 WeakPolarHBondContact CD1-ND1 3.36Å; H71-F76 HydrophobicContact CB-CB 4.49Å; H71-F76 WeakPolarHBondContact CD2-CB 3.49Å; H71-F76 AromaticContact CE1-CD2 3.76Å; H71-F76 AromaticContact CE1-CG 3.8Å; H71-F76 AromaticContact ND1-CD2 3.68Å; H71-F76 WeakPolarHBondContact NE2-CB 3.38Å; H71-F76 AromaticContact NE2-CG 3.76Å; H71-Y89 HydrophobicContact CB-CD2 4.05Å; H71-Y89 HydrophobicContact CB-CG 4.45Å; H71-K90 CarbonylContact C-O 3.4Å; H71-K90 VanDerWaalsContact CA-O 3.26Å; H71-K90 WeakPolarHBondContact CA-O 3.46Å; H71-K90 WeakPolarHBondContact CB-O 3.28Å
72E98Very high97Very high60 Ų6067.2 Ų67.228%0.2838%0.376SS..  trans-64.9145.2168-67.4170.9-137.100110.4S75 K90 G92E72-S75 WeakPolarHBondContact O-CB 3.37Å; E72-S75 PolarHBondContact O-N 3.01Å; E72-K90 HydrophobicContact CB-CB 4.48Å; E72-K90 PolarHBondContact N-O 2.8Å; E72-K90 WeakPolarHBondContact OE1-CE 3.26Å; E72-K90 WeakPolarHBondContact OE1-CG 3.13Å; E72-K90 VanDerWaalsContact OE2-CD 3.28Å; E72-K90 WeakPolarHBondContact OE2-CD 3.42Å; E72-K90 WeakPolarHBondContact OE2-CE 3.3Å; E72-G92 PolarHBondContact OE1-N 3.1Å
73P97.4Very high96.9Very high102 Ų10271.7 Ų71.766%0.66239%0.393SS*.THydrogen-bonded Turntrans-53.9152.3175-25.234.3000113.3S75P73-S75 PolarHBondContact O-N 3.06Å; P73-S75 PolarHBondContact O-OG 3.4Å
74D97.8Very high96.9Very high102 Ų10265.4 Ų65.455%0.54537%0.369SS..THydrogen-bonded Turntrans5818.5176.7-62.5-60.3000114.4D15 M16D15-D74 CarbonylContact O-C 3.51Å; D15-D74 VanDerWaalsContact O-CA 3.29Å; D15-D74 WeakPolarHBondContact O-CA 3.38Å; D15-D74 PolarHBondContact OD2-N 3.11Å; M16-D74 WeakPolarHBondContact CA-O 3.39Å; M16-D74 VanDerWaalsContact CB-O 3.3Å; M16-D74 WeakPolarHBondContact CB-O 3.35Å
75S98.3Very high97Very high17 Ų1757.9 Ų57.912%0.11933%0.329CS..  trans-134.236-170.1-54.80000114.1D15 E72 P73 Y89 K90D15-S75 PolarHBondContact O-N 3.02Å; E72-S75 WeakPolarHBondContact O-CB 3.37Å; E72-S75 PolarHBondContact O-N 3.01Å; P73-S75 PolarHBondContact O-N 3.06Å; P73-S75 PolarHBondContact O-OG 3.4Å; S75-Y89 CarbonylContact O-C 3.56Å; S75-Y89 WeakPolarHBondContact O-CA 3.45Å; S75-K90 VanDerWaalsContact CB-CB 3.5Å; S75-K90 PolarHBondContact O-N 3.32Å
76F98.6Very high97Very high20 Ų2055.4 Ų55.49%0.08832%0.318CS..EExtended strand (participates in β ladder)trans-136.8137.5-178.3168.4-83000114.1N13 A14 D15 M16 I69 H71 L87N13-F76 HydrophobicContact CB-CE1 4.01Å; A14-F76 CarbonylContact C-O 3.58Å; A14-F76 WeakPolarHBondContact CA-O 3.38Å; D15-F76 CarbonylContact C-O 3.55Å; D15-F76 HydrophobicContact CB-CB 4.24Å; D15-F76 PolarHBondContact N-O 2.95Å; D15-F76 PolarHBondContact O-N 3.49Å; M16-F76 VanDerWaalsContact CE-C 3.49Å; I69-F76 HydrophobicContact CD1-CD2 3.95Å; I69-F76 HydrophobicContact CD1-CE2 3.98Å; I69-F76 HydrophobicContact CG1-CE2 4.46Å; H71-F76 HydrophobicContact CB-CB 4.49Å; H71-F76 WeakPolarHBondContact CD2-CB 3.49Å; H71-F76 AromaticContact CE1-CD2 3.76Å; H71-F76 AromaticContact CE1-CG 3.8Å; H71-F76 AromaticContact ND1-CD2 3.68Å; H71-F76 WeakPolarHBondContact NE2-CB 3.38Å; H71-F76 AromaticContact NE2-CG 3.76Å; F76-L87 HydrophobicContact CD2-CD1 4.29Å; F76-L87 HydrophobicContact CE2-CD1 3.4Å; F76-L87 HydrophobicContact CZ-CD1 3.69Å
77I98.7Very high97.1Very high0 Ų051.7 Ų51.70%028%0.28CS..EExtended strand (participates in β ladder)trans-148.1138.8170-168.3176.2000111.9I11 A14 M16 Q21 A24 F79 L88I11-I77 HydrophobicContact CD1-CD1 4.25Å; I11-I77 HydrophobicContact CG1-CD1 4.33Å; I11-I77 HydrophobicContact CG2-CD1 4.42Å; I11-I77 HydrophobicContact CG2-CG1 4.31Å; A14-I77 HydrophobicContact CB-CB 4.41Å; A14-I77 HydrophobicContact CB-CG1 3.99Å; M16-I77 HydrophobicContact CE-CB 3.71Å; M16-I77 HydrophobicContact CE-CG2 3.66Å; M16-I77 HydrophobicContact SD-CB 3.82Å; M16-I77 HydrophobicContact SD-CD1 4.22Å; M16-I77 HydrophobicContact SD-CG2 4.03Å; Q21-I77 HydrophobicContact CB-CD1 4.07Å; Q21-I77 HydrophobicContact CG-CD1 4.03Å; A24-I77 HydrophobicContact CB-CD1 3.99Å; A24-I77 HydrophobicContact CB-CG2 4Å; I77-F79 HydrophobicContact CD1-CD1 3.92Å; I77-F79 HydrophobicContact CD1-CE1 4.41Å; I77-F79 HydrophobicContact CG1-CD1 3.88Å; I77-F79 HydrophobicContact CG2-CD1 4.14Å; I77-F79 HydrophobicContact CG2-CE1 4.09Å; I77-L88 HydrophobicContact CG2-CB 3.85Å; I77-L88 HydrophobicContact CG2-CD2 4.18Å; I77-L88 HydrophobicContact CG2-CG 4.42Å; I77-L88 PolarHBondContact N-O 3.09Å; I77-L88 PolarHBondContact O-N 2.99Å
78Y98.4Very high97.3Very high50 Ų5048.7 Ų48.720%0.19626%0.259CS..EExtended strand (participates in β ladder)trans-124.6118.8171.4179.5-127.7000110K12 N13 F65 Y80 A85 V86 L87K12-Y78 HydrophobicContact CB-CD1 3.51Å; K12-Y78 HydrophobicContact CB-CE1 3.87Å; K12-Y78 HydrophobicContact CB-CG 4.38Å; K12-Y78 HydrophobicContact CG-CD1 4.2Å; K12-Y78 HydrophobicContact CG-CE1 4.1Å; K12-Y78 PolarHBondContact N-O 2.63Å; N13-Y78 PolarHBondContact N-O 2.98Å; N13-Y78 VanDerWaalsContact N-O 3.1Å; N13-Y78 PolarHBondContact O-N 2.78Å; F65-Y78 HydrophobicContact CE2-CE2 4.22Å; F65-Y78 AromaticContact CZ-CE2 3.89Å; F65-Y78 HydrophobicContact CZ-CE2 3.89Å; Y78-Y80 HydrophobicContact CE1-CE2 4.19Å; Y78-Y80 AromaticContact CZ-CE2 3.81Å; Y78-Y80 WeakPolarHBondContact OH-CE2 3.06Å; Y78-Y80 PolarHBondContact OH-OH 2.97Å; Y78-Y80 VanDerWaalsContact OH-OH 3.11Å; Y78-A85 HydrophobicContact CE2-CB 3.93Å; Y78-V86 WeakPolarHBondContact CA-O 3.43Å; Y78-V86 WeakPolarHBondContact CD2-O 3.17Å; Y78-L87 HydrophobicContact CD2-CB 4.19Å; Y78-L87 HydrophobicContact CD2-CD1 4.03Å; Y78-L87 HydrophobicContact CG-CD1 4.28Å
79F97.9Very high97.4Very high0 Ų044.1 Ų44.10%022%0.222CC..EExtended strand (participates in β ladder)trans-146.5162.2-17766.1-80.8000112.2V10 I11 A24 L25 L45 I77 V81 V86V10-F79 CarbonylContact O-C 3.51Å; V10-F79 VanDerWaalsContact O-CA 3.28Å; V10-F79 WeakPolarHBondContact O-CA 3.34Å; V10-F79 WeakPolarHBondContact O-CB 3.32Å; I11-F79 HydrophobicContact CB-CB 4.38Å; I11-F79 HydrophobicContact CG1-CB 4.06Å; A24-F79 HydrophobicContact CB-CE1 4.16Å; A24-F79 HydrophobicContact CB-CZ 4.46Å; A24-F79 WeakPolarHBondContact O-CZ 3.11Å; L25-F79 HydrophobicContact CD1-CD2 3.5Å; L25-F79 VanDerWaalsContact CD1-CD2 3.5Å; L25-F79 HydrophobicContact CD1-CE2 3.87Å; L25-F79 HydrophobicContact CD1-CG 4.27Å; L45-F79 HydrophobicContact CD2-CE1 4.46Å; L45-F79 HydrophobicContact CD2-CZ 3.96Å; I77-F79 HydrophobicContact CD1-CD1 3.92Å; I77-F79 HydrophobicContact CD1-CE1 4.41Å; I77-F79 HydrophobicContact CG1-CD1 3.88Å; I77-F79 HydrophobicContact CG2-CD1 4.14Å; I77-F79 HydrophobicContact CG2-CE1 4.09Å; F79-V81 HydrophobicContact CD2-CG2 3.73Å; F79-V81 HydrophobicContact CE2-CG2 3.52Å; F79-V86 HydrophobicContact CD1-CB 4.12Å; F79-V86 HydrophobicContact CD1-CG1 4.32Å; F79-V86 HydrophobicContact CD2-CB 4.32Å; F79-V86 HydrophobicContact CE1-CB 3.81Å; F79-V86 HydrophobicContact CE1-CG1 3.57Å; F79-V86 HydrophobicContact CE2-CB 4.02Å; F79-V86 HydrophobicContact CE2-CG1 4.31Å; F79-V86 HydrophobicContact CE2-CG2 4.13Å; F79-V86 HydrophobicContact CG-CB 4.38Å; F79-V86 HydrophobicContact CZ-CB 3.76Å; F79-V86 HydrophobicContact CZ-CG1 3.58Å; F79-V86 HydrophobicContact CZ-CG2 4.22Å; F79-V86 PolarHBondContact N-O 2.85Å; F79-V86 PolarHBondContact O-N 2.88Å
80Y97Very high97.5Very high78 Ų7843.1 Ų43.131%0.30622%0.216SC..EExtended strand (participates in β ladder)trans-106.1144.3172.5-80.9-99.3000110.4S9 V10 K12 Y78 Y84 A85S9-Y80 CarbonylContact C-O 3.5Å; S9-Y80 WeakPolarHBondContact CA-O 3.47Å; S9-Y80 WeakPolarHBondContact CB-O 3.29Å; V10-Y80 PolarHBondContact N-O 3Å; V10-Y80 PolarHBondContact O-N 2.78Å; K12-Y80 HydrophobicContact CD-CD2 4.49Å; K12-Y80 HydrophobicContact CG-CD2 3.76Å; K12-Y80 HydrophobicContact CG-CE2 3.97Å; Y78-Y80 HydrophobicContact CE1-CE2 4.19Å; Y78-Y80 AromaticContact CZ-CE2 3.81Å; Y78-Y80 WeakPolarHBondContact OH-CE2 3.06Å; Y78-Y80 PolarHBondContact OH-OH 2.97Å; Y78-Y80 VanDerWaalsContact OH-OH 3.11Å; Y80-Y84 WeakPolarHBondContact CA-O 3.45Å; Y80-A85 HydrophobicContact CD1-CB 4.13Å; Y80-A85 HydrophobicContact CE1-CB 3.64Å; Y80-A85 HydrophobicContact CE2-CB 4.21Å
81V95.8Very high97.5Very high3 Ų339.6 Ų39.62%0.01820%0.196CC..EExtended strand (participates in β ladder)trans-131.8112.9164.1-1800000107.1L25 I29 V32 F79 K83 Y84L25-V81 HydrophobicContact CD1-CG2 4.46Å; I29-V81 HydrophobicContact CG1-CG1 4.03Å; I29-V81 HydrophobicContact CG1-CG2 4.23Å; V32-V81 HydrophobicContact CB-CG1 3.99Å; V32-V81 HydrophobicContact CG1-CG1 4.15Å; V32-V81 HydrophobicContact CG2-CB 4.06Å; V32-V81 HydrophobicContact CG2-CG1 3.81Å; F79-V81 HydrophobicContact CD2-CG2 3.73Å; F79-V81 HydrophobicContact CE2-CG2 3.52Å; V81-K83 PolarHBondContact O-N 2.84Å; V81-K83 VanDerWaalsContact O-N 3.12Å; V81-Y84 PolarHBondContact N-O 3.03Å; V81-Y84 PolarHBondContact O-N 2.9Å
82E92.4Very high97.1Very high108 Ų10842 Ų4251%0.50524%0.238SC..THydrogen-bonded Turntrans53.4-114.8-174.4-57.1-179.4-179.100112N8N8-E82 PolarHBondContact O-N 2.94Å
83K94.4Very high97Very high106 Ų10641.2 Ų41.246%0.46124%0.236SC..THydrogen-bonded Turntrans-91.8-5.5179.967.7-170.9176.1-170.50113.8V81V81-K83 PolarHBondContact O-N 2.84Å; V81-K83 VanDerWaalsContact O-N 3.12Å
84Y97.3Very high97Very high11 Ų1137.9 Ų37.94%0.04321%0.214CC..EExtended strand (participates in β ladder)trans-101.1127.2-174.6-63.4-71.5000110.6V32 E38 I41 V61 R63 Y80 V81V32-Y84 HydrophobicContact CG1-CD2 3.92Å; V32-Y84 HydrophobicContact CG1-CE2 4.15Å; V32-Y84 HydrophobicContact CG2-CD2 3.92Å; E38-Y84 HydrophobicContact CG-CD1 4.02Å; E38-Y84 HydrophobicContact CG-CE1 3.65Å; E38-Y84 WeakPolarHBondContact OE1-CE1 3.21Å; I41-Y84 HydrophobicContact CD1-CD2 4.41Å; I41-Y84 HydrophobicContact CD1-CE2 4.26Å; V61-Y84 HydrophobicContact CG1-CD1 3.95Å; V61-Y84 HydrophobicContact CG1-CG 4.23Å; R63-Y84 HydrophobicContact CG-CD1 4.2Å; R63-Y84 HydrophobicContact CG-CE1 4.24Å; Y80-Y84 WeakPolarHBondContact CA-O 3.45Å; V81-Y84 PolarHBondContact N-O 3.03Å; V81-Y84 PolarHBondContact O-N 2.9Å
85A97.8Very high97Very high1 Ų134.4 Ų34.41%0.00820%0.195CC..EExtended strand (participates in β ladder)trans-85.1134162.200000108.4V61 G62 F65 Y78 Y80V61-A85 WeakPolarHBondContact CA-O 3.31Å; G62-A85 PolarHBondContact N-O 3.5Å; G62-A85 VanDerWaalsContact N-O 3.08Å; G62-A85 WeakPolarHBondContact O-CB 3.35Å; G62-A85 PolarHBondContact O-N 2.83Å; F65-A85 HydrophobicContact CD1-CB 4.41Å; F65-A85 HydrophobicContact CE1-CB 3.52Å; F65-A85 HydrophobicContact CZ-CB 3.88Å; Y78-A85 HydrophobicContact CE2-CB 3.93Å; Y80-A85 HydrophobicContact CD1-CB 4.13Å; Y80-A85 HydrophobicContact CE1-CB 3.64Å; Y80-A85 HydrophobicContact CE2-CB 4.21Å
86V98.5Very high96.9Very high0 Ų035.4 Ų35.40%020%0.2CC..EExtended strand (participates in β ladder)trans-123.3119.6-178-176.40000108.1L45 I60 V61 Y78 F79L45-V86 HydrophobicContact CD2-CG1 3.67Å; I60-V86 WeakPolarHBondContact O-CA 3.41Å; V61-V86 HydrophobicContact CG2-CG1 4.31Å; V61-V86 HydrophobicContact CG2-CG2 4.28Å; Y78-V86 WeakPolarHBondContact CA-O 3.43Å; Y78-V86 WeakPolarHBondContact CD2-O 3.17Å; F79-V86 HydrophobicContact CD1-CB 4.12Å; F79-V86 HydrophobicContact CD1-CG1 4.32Å; F79-V86 HydrophobicContact CD2-CB 4.32Å; F79-V86 HydrophobicContact CE1-CB 3.81Å; F79-V86 HydrophobicContact CE1-CG1 3.57Å; F79-V86 HydrophobicContact CE2-CB 4.02Å; F79-V86 HydrophobicContact CE2-CG1 4.31Å; F79-V86 HydrophobicContact CE2-CG2 4.13Å; F79-V86 HydrophobicContact CG-CB 4.38Å; F79-V86 HydrophobicContact CZ-CB 3.76Å; F79-V86 HydrophobicContact CZ-CG1 3.58Å; F79-V86 HydrophobicContact CZ-CG2 4.22Å; F79-V86 PolarHBondContact N-O 2.85Å; F79-V86 PolarHBondContact O-N 2.88Å
87L98.7Very high96.8Very high1 Ų136.4 Ų36.41%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-113.4115.9173.4-177.266.1000107.9C59 I60 F65 S67 F76 Y78 Y89C59-L87 CarbonylContact C-O 2.91Å; C59-L87 VanDerWaalsContact CA-O 3.32Å; C59-L87 WeakPolarHBondContact CA-O 3.46Å; I60-L87 HydrophobicContact CB-CB 4.28Å; I60-L87 HydrophobicContact CD1-CD2 4.28Å; I60-L87 PolarHBondContact N-O 2.8Å; I60-L87 PolarHBondContact O-N 2.8Å; F65-L87 HydrophobicContact CE2-CB 4.1Å; F65-L87 HydrophobicContact CE2-CD2 4.26Å; F65-L87 HydrophobicContact CZ-CB 4.04Å; S67-L87 WeakPolarHBondContact OG-CD2 3.19Å; F76-L87 HydrophobicContact CD2-CD1 4.29Å; F76-L87 HydrophobicContact CE2-CD1 3.4Å; F76-L87 HydrophobicContact CZ-CD1 3.69Å; Y78-L87 HydrophobicContact CD2-CB 4.19Å; Y78-L87 HydrophobicContact CD2-CD1 4.03Å; Y78-L87 HydrophobicContact CG-CD1 4.28Å; L87-Y89 HydrophobicContact CD2-CD1 4.49Å; L87-Y89 HydrophobicContact CG-CD1 4.16Å
88L98.8Very high96.6Very high0 Ų038.8 Ų38.80%022%0.221CC..EExtended strand (participates in β ladder)trans-125.6122.9-178.7175.871.5000108.2A24 L45 F49 W57 H58 C59 I77A24-L88 HydrophobicContact CB-CD2 4.26Å; L45-L88 HydrophobicContact CB-CD1 4.45Å; L45-L88 HydrophobicContact CD2-CD2 4.39Å; F49-L88 HydrophobicContact CD1-CD2 3.78Å; F49-L88 HydrophobicContact CD2-CD2 3.64Å; F49-L88 HydrophobicContact CE1-CD2 3.75Å; F49-L88 HydrophobicContact CE2-CD2 3.59Å; F49-L88 HydrophobicContact CG-CD1 4.47Å; F49-L88 HydrophobicContact CG-CD2 3.75Å; F49-L88 HydrophobicContact CZ-CD2 3.67Å; W57-L88 HydrophobicContact CE3-CD1 3.89Å; W57-L88 HydrophobicContact CE3-CD2 4.41Å; W57-L88 HydrophobicContact CE3-CG 3.8Å; W57-L88 HydrophobicContact CZ3-CD2 4.44Å; W57-L88 HydrophobicContact CZ3-CG 4.05Å; H58-L88 WeakPolarHBondContact O-CA 3.38Å; C59-L88 HydrophobicContact CB-CD1 3.89Å; I77-L88 HydrophobicContact CG2-CB 3.85Å; I77-L88 HydrophobicContact CG2-CD2 4.18Å; I77-L88 HydrophobicContact CG2-CG 4.42Å; I77-L88 PolarHBondContact N-O 3.09Å; I77-L88 PolarHBondContact O-N 2.99Å
89Y98.8Very high96.5Very high32 Ų3238 Ų3813%0.12522%0.222CC..EExtended strand (participates in β ladder)trans-149.9157-176.967.7-81.3000111.8W57 H58 I60 I69 H71 S75 L87W57-Y89 WeakPolarHBondContact CA-O 3.5Å; H58-Y89 HydrophobicContact CB-CD1 4.14Å; H58-Y89 HydrophobicContact CB-CD2 4.36Å; H58-Y89 HydrophobicContact CB-CE1 3.64Å; H58-Y89 HydrophobicContact CB-CE2 3.88Å; H58-Y89 HydrophobicContact CB-CG 4.48Å; H58-Y89 VanDerWaalsContact CB-CZ 3.49Å; H58-Y89 AromaticContact CD2-CE2 3.87Å; H58-Y89 AromaticContact CG-CZ 3.96Å; H58-Y89 PolarHBondContact N-O 3.48Å; H58-Y89 PolarHBondContact O-N 2.92Å; I60-Y89 HydrophobicContact CD1-CE1 4.41Å; I69-Y89 HydrophobicContact CB-CE2 4.43Å; I69-Y89 HydrophobicContact CD1-CD1 4.39Å; I69-Y89 HydrophobicContact CD1-CD2 3.95Å; I69-Y89 HydrophobicContact CD1-CE2 4.35Å; I69-Y89 HydrophobicContact CD1-CG 3.97Å; I69-Y89 HydrophobicContact CG2-CE1 4.46Å; H71-Y89 HydrophobicContact CB-CD2 4.05Å; H71-Y89 HydrophobicContact CB-CG 4.45Å; S75-Y89 CarbonylContact O-C 3.56Å; S75-Y89 WeakPolarHBondContact O-CA 3.45Å; L87-Y89 HydrophobicContact CD2-CD1 4.49Å; L87-Y89 HydrophobicContact CG-CD1 4.16Å
90K98.6Very high96.4Very high30 Ų3040.9 Ų40.913%0.1324%0.239CC..EExtended strand (participates in β ladder)trans-101.9135.1174.2-163.1178.7168.8148.10111Y53 G54 P55 T56 W57 H71 E72 S75Y53-K90 PolarHBondContact O-NZ 2.91Å; G54-K90 PolarHBondContact O-NZ 2.96Å; P55-K90 WeakPolarHBondContact O-CE 3.42Å; P55-K90 PolarHBondContact O-NZ 2.92Å; T56-K90 WeakPolarHBondContact O-CG 3.3Å; W57-K90 HydrophobicContact CD2-CB 4.09Å; W57-K90 HydrophobicContact CD2-CG 4.42Å; W57-K90 HydrophobicContact CE3-CB 4.21Å; W57-K90 HydrophobicContact CH2-CB 4.42Å; W57-K90 HydrophobicContact CZ2-CB 4.31Å; W57-K90 HydrophobicContact CZ2-CD 4.36Å; W57-K90 HydrophobicContact CZ3-CB 4.38Å; H71-K90 CarbonylContact C-O 3.4Å; H71-K90 VanDerWaalsContact CA-O 3.26Å; H71-K90 WeakPolarHBondContact CA-O 3.46Å; H71-K90 WeakPolarHBondContact CB-O 3.28Å; E72-K90 HydrophobicContact CB-CB 4.48Å; E72-K90 PolarHBondContact N-O 2.8Å; E72-K90 WeakPolarHBondContact OE1-CE 3.26Å; E72-K90 WeakPolarHBondContact OE1-CG 3.13Å; E72-K90 VanDerWaalsContact OE2-CD 3.28Å; E72-K90 WeakPolarHBondContact OE2-CD 3.42Å; E72-K90 WeakPolarHBondContact OE2-CE 3.3Å; S75-K90 VanDerWaalsContact CB-CB 3.5Å; S75-K90 PolarHBondContact O-N 3.32Å
91S96.7Very high96.4Very high48 Ų4837.8 Ų37.834%0.33623%0.234SC..  trans-156.4121.3174.1-179.40000109.4T56 H58T56-S91 PolarHBondContact O-N 3.08Å; T56-S91 VanDerWaalsContact O-N 3.09Å; H58-S91 PolarHBondContact NE2-O 2.91Å
92G88.6Confident96.4Very high114 Ų11441 Ų41100%1.17525%0.254SS*.  trans174.30175.800000110.1E72E72-G92 PolarHBondContact OE1-N 3.1Å

Retrieved 92 of 92 residues in 125.4 ms (Link to these results)

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