A0A087XY32_POEFO Loading...

Microtubule-associated protein 1 light chain 3 gamma, like

AlphaFold DB , UniProt , Accession A0A087XY32, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 136 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.5Very low50.2Low246 Ų246129 Ų129100%1.21267%0.666SS**  0128.90-82.2172.6164.600108.2
2A38.2Very low53.4Low61 Ų61122.3 Ų122.350%0.50464%0.636SS.*  trans-71.7140.6-171.500000111.7F4A2-F4 PolarHBondContact O-N 3.19Å; A2-F4 VanDerWaalsContact O-N 3.09Å
3P51.7Low56.3Low107 Ų107113.5 Ų113.570%0.69559%0.59SS**THydrogen-bonded Turntrans-68.9-3-177.725.7-33.4000115
4F42.8Very low58.9Low180 Ų180111.4 Ų111.479%0.78957%0.574SS**THydrogen-bonded Turntrans-83.2-27-175.3-89.6-94.7000114.7A2A2-F4 PolarHBondContact O-N 3.19Å; A2-F4 VanDerWaalsContact O-N 3.09Å
5E42.6Very low61Low149 Ų149113.9 Ų113.970%0.69658%0.582SS**SBendtrans-72.2-35.9-179.3-8616981.800112.5S7 M8E5-S7 PolarHBondContact O-N 2.81Å; E5-S7 VanDerWaalsContact O-N 3.14Å; E5-M8 PolarHBondContact O-N 3.29Å
6K39.1Very low62.8Low175 Ų175113.6 Ų113.676%0.76157%0.571SS**Hα-helixtrans-60.2-26.7178.6-107.3-179.4179.5175.70114
7S41.7Very low64.3Low82 Ų82111.2 Ų111.257%0.57356%0.556SS**Hα-helixtrans-77.5-23.5-173.7-630000113.5E5E5-S7 PolarHBondContact O-N 2.81Å; E5-S7 VanDerWaalsContact O-N 3.14Å
8M48.4Very low65.9Low147 Ų147110.4 Ų110.472%0.72456%0.562SS**Hα-helixtrans-81-28.8-176.7-138.1170.3-166.600112.2E5 M10 T11E5-M8 PolarHBondContact O-N 3.29Å; M8-M10 VanDerWaalsContact C-N 3.3Å; M8-M10 PolarHBondContact O-N 3.21Å; M8-T11 PolarHBondContact O-N 2.67Å; M8-T11 PolarHBondContact O-OG1 2.97Å
9E56Low67.4Low112 Ų112108.5 Ų108.552%0.52355%0.553SS.*Hα-helixtrans-69.6-23.4-179.4-78.9165.265.100113.9R16 L52E9-R16 PolarHBondContact O-NH2 3.39Å; E9-L52 HydrophobicContact CB-CD1 4.34Å
10M65.3Low68.9Low115 Ų115106.8 Ų106.857%0.56756%0.556SS**THydrogen-bonded Turntrans-87.4-5.9176-76.4-172.967.100114.4M8 P12M8-M10 VanDerWaalsContact C-N 3.3Å; M8-M10 PolarHBondContact O-N 3.21Å; M10-P12 WeakPolarHBondContact O-CD 3.27Å
11T82.5Confident70.2Confident45 Ų45105 Ų10528%0.27655%0.549SS..SBendtrans-72.5125.8179.159.60000110.4M8 R16M8-T11 PolarHBondContact O-N 2.67Å; M8-T11 PolarHBondContact O-OG1 2.97Å; T11-R16 PolarHBondContact O-NE 3.38Å; T11-R16 PolarHBondContact O-NH2 3.45Å; T11-R16 WeakPolarHBondContact OG1-CG 3.34Å; T11-R16 PolarHBondContact OG1-NE 3.44Å; T11-R16 VanDerWaalsContact OG1-NE 3.1Å
12P89.1Confident72.7Confident48 Ų4894.1 Ų94.131%0.31250%0.495SS..  trans-59.7144.9178.1-24.733.2000112.5M10 K14 Q15 R16 E42M10-P12 WeakPolarHBondContact O-CD 3.27Å; P12-K14 PolarHBondContact O-N 3.46Å; P12-K14 VanDerWaalsContact O-N 3.08Å; P12-Q15 HydrophobicContact CB-CG 4.47Å; P12-Q15 WeakPolarHBondContact O-CA 3.43Å; P12-Q15 WeakPolarHBondContact O-CB 3.47Å; P12-Q15 PolarHBondContact O-N 2.94Å; P12-R16 PolarHBondContact O-N 3.5Å; P12-E42 WeakPolarHBondContact CA-OE1 3.4Å
13F91.3Very high75.6Confident8 Ų896 Ų964%0.03549%0.492CS..Hα-helixtrans-54.8-35.2-177.2179.1-109.1000112.9Q15 R16 K17 R22 I40 E42 K57 F114 Y116F13-Q15 PolarHBondContact O-N 3.07Å; F13-R16 PolarHBondContact O-N 2.94Å; F13-K17 HydrophobicContact CE2-CD 4.34Å; F13-K17 HydrophobicContact CZ-CD 4.41Å; F13-K17 PolarHBondContact O-N 3.48Å; F13-R22 HydrophobicContact CE1-CG 3.92Å; F13-R22 HydrophobicContact CZ-CG 4.24Å; F13-I40 HydrophobicContact CB-CG2 3.84Å; F13-I40 HydrophobicContact CD1-CD1 3.71Å; F13-I40 HydrophobicContact CD1-CG1 3.74Å; F13-I40 HydrophobicContact CD1-CG2 4.34Å; F13-I40 HydrophobicContact CD2-CD1 4.36Å; F13-I40 HydrophobicContact CE1-CD1 3.75Å; F13-I40 HydrophobicContact CE1-CG1 4.05Å; F13-I40 HydrophobicContact CE2-CD1 4.39Å; F13-I40 HydrophobicContact CG-CD1 4.04Å; F13-I40 HydrophobicContact CG-CG1 4.31Å; F13-I40 HydrophobicContact CG-CG2 4.2Å; F13-I40 HydrophobicContact CZ-CD1 4.11Å; F13-E42 WeakPolarHBondContact CB-OE1 3.29Å; F13-E42 PolarHBondContact N-OE1 3.43Å; F13-E42 PolarHBondContact N-OE2 3.26Å; F13-K57 HydrophobicContact CE2-CD 3.9Å; F13-K57 HydrophobicContact CZ-CD 4.22Å; F13-F114 AromaticContact CE1-CD2 3.98Å; F13-F114 HydrophobicContact CE1-CD2 3.98Å; F13-F114 AromaticContact CE1-CE2 3.84Å; F13-F114 HydrophobicContact CE1-CE2 3.84Å; F13-F114 HydrophobicContact CE1-CZ 4.3Å; F13-F114 HydrophobicContact CZ-CE2 4.16Å; F13-F114 HydrophobicContact CZ-CZ 4.31Å; F13-Y116 HydrophobicContact CB-CE1 4.4Å; F13-Y116 AromaticContact CD1-CE1 3.93Å; F13-Y116 HydrophobicContact CD1-CE1 3.93Å; F13-Y116 WeakPolarHBondContact CD1-OH 3.4Å
14K91.9Very high77.7Confident84 Ų8495.4 Ų95.437%0.36548%0.483SS..Hα-helixtrans-64-26176.2-66-164.81761800113.8P12 K17 D110 Y116P12-K14 PolarHBondContact O-N 3.46Å; P12-K14 VanDerWaalsContact O-N 3.08Å; K14-K17 VanDerWaalsContact O-O 3.12Å; K14-D110 IonicContact NZ-OD1 3.24Å; K14-D110 PolarHBondContact NZ-OD1 2.74Å; K14-D110 IonicContact NZ-OD2 2.61Å; K14-D110 PolarHBondContact NZ-OD2 3.28Å; K14-Y116 HydrophobicContact CD-CE1 4.3Å; K14-Y116 VanDerWaalsContact CE-CZ 3.4Å; K14-Y116 HydrophobicContact CG-CE1 3.63Å; K14-Y116 WeakPolarHBondContact CG-OH 3.46Å
15Q90.5Very high80.3Confident150 Ų15088.5 Ų88.570%0.70145%0.453SS*.Hα-helixtrans-87-22.7176.9-64.1-176.6-5.100112.3P12 F13 K17P12-Q15 HydrophobicContact CB-CG 4.47Å; P12-Q15 WeakPolarHBondContact O-CA 3.43Å; P12-Q15 WeakPolarHBondContact O-CB 3.47Å; P12-Q15 PolarHBondContact O-N 2.94Å; F13-Q15 PolarHBondContact O-N 3.07Å; Q15-K17 VanDerWaalsContact C-N 3.35Å
16R89.8Confident82.8Confident108 Ų10881.9 Ų81.941%0.40842%0.422SS..Hα-helixtrans-74-25.6177.6-57.7-175.8-162.9-172.74.9113E9 T11 P12 F13E9-R16 PolarHBondContact O-NH2 3.39Å; T11-R16 PolarHBondContact O-NE 3.38Å; T11-R16 PolarHBondContact O-NH2 3.45Å; T11-R16 WeakPolarHBondContact OG1-CG 3.34Å; T11-R16 PolarHBondContact OG1-NE 3.44Å; T11-R16 VanDerWaalsContact OG1-NE 3.1Å; P12-R16 PolarHBondContact O-N 3.5Å; F13-R16 PolarHBondContact O-N 2.94Å
17K88Confident85.5Confident73 Ų7377.7 Ų77.732%0.31741%0.414SS..SBendtrans-143.6136.7-174.8-62.5-167.5178.9-164.20113F13 K14 Q15 T21 R22 E25F13-K17 HydrophobicContact CE2-CD 4.34Å; F13-K17 HydrophobicContact CZ-CD 4.41Å; F13-K17 PolarHBondContact O-N 3.48Å; K14-K17 VanDerWaalsContact O-O 3.12Å; Q15-K17 VanDerWaalsContact C-N 3.35Å; K17-T21 HydrophobicContact CD-CG2 4.19Å; K17-R22 HydrophobicContact CB-CG 3.82Å; K17-R22 PolarHBondContact O-NE 3.22Å; K17-E25 WeakPolarHBondContact CD-OE1 3.48Å; K17-E25 WeakPolarHBondContact CE-OE1 3.41Å; K17-E25 IonicContact NZ-OE1 2.58Å; K17-E25 PolarHBondContact NZ-OE1 3.06Å; K17-E25 IonicContact NZ-OE2 3.51Å
18C94.1Very high88.1Confident97 Ų9777.6 Ų77.666%0.65541%0.407SS*.  trans-60.6155173.3-62.20000112.1A20 T21 R22C18-A20 VanDerWaalsContact C-N 3.32Å; C18-A20 PolarHBondContact O-N 3.36Å; C18-T21 PolarHBondContact O-N 2.77Å; C18-R22 PolarHBondContact O-N 2.96Å
19L94.7Very high90.4Very high75 Ų7572.6 Ų72.639%0.39338%0.383SS..Hα-helixtrans-55.5-43.3-177.3177.559.4000113.2T21 R22 K23 D112L19-T21 PolarHBondContact O-N 3.46Å; L19-R22 PolarHBondContact O-N 2.98Å; L19-K23 HydrophobicContact CD1-CD 4.45Å; L19-K23 HydrophobicContact CD1-CG 4.32Å; L19-K23 HydrophobicContact CG-CD 4.4Å; L19-K23 PolarHBondContact O-N 3.32Å; L19-D112 HydrophobicContact CD1-CB 3.59Å
20A96.6Very high92.2Very high74 Ų7472.2 Ų72.261%0.61238%0.377SS*.Hα-helixtrans-59.7-46-17900000112C18 R22 K23 D24C18-A20 VanDerWaalsContact C-N 3.32Å; C18-A20 PolarHBondContact O-N 3.36Å; A20-R22 VanDerWaalsContact C-N 3.34Å; A20-R22 PolarHBondContact O-N 3.03Å; A20-K23 PolarHBondContact O-N 2.87Å; A20-D24 PolarHBondContact O-N 2.85Å
21T96Very high93.6Very high68 Ų6871.7 Ų71.742%0.41738%0.384SS..Hα-helixtrans-62.6-41.2177.3-48.60000111.8K17 C18 L19 K23 D24 E25K17-T21 HydrophobicContact CD-CG2 4.19Å; C18-T21 PolarHBondContact O-N 2.77Å; L19-T21 PolarHBondContact O-N 3.46Å; T21-K23 PolarHBondContact O-N 3.33Å; T21-D24 PolarHBondContact O-N 3.49Å; T21-E25 PolarHBondContact O-N 3.08Å
22R97.3Very high94.3Very high18 Ų1876.9 Ų76.97%0.06840%0.403CS..Hα-helixtrans-64.8-39.9178.1-66.5-174.4-72.7117.95111.7F13 K17 C18 L19 A20 E25 V26 D112 F114 Y116F13-R22 HydrophobicContact CE1-CG 3.92Å; F13-R22 HydrophobicContact CZ-CG 4.24Å; K17-R22 HydrophobicContact CB-CG 3.82Å; K17-R22 PolarHBondContact O-NE 3.22Å; C18-R22 PolarHBondContact O-N 2.96Å; L19-R22 PolarHBondContact O-N 2.98Å; A20-R22 VanDerWaalsContact C-N 3.34Å; A20-R22 PolarHBondContact O-N 3.03Å; R22-E25 PolarHBondContact O-N 3.24Å; R22-V26 WeakPolarHBondContact O-CG2 3.5Å; R22-V26 PolarHBondContact O-N 3.23Å; R22-D112 HydrophobicContact CB-CB 3.89Å; R22-D112 IonicContact CZ-OD1 3.74Å; R22-D112 IonicContact NH1-OD1 2.58Å; R22-D112 PolarHBondContact NH1-OD1 3.39Å; R22-D112 IonicContact NH1-OD2 3.86Å; R22-F114 HydrophobicContact CB-CE2 4.34Å; R22-Y116 PolarHBondContact NH1-OH 3.31Å
23K97.4Very high94.7Very high102 Ų10278.7 Ų78.744%0.44341%0.406SS..Hα-helixtrans-63.2-44.9174.7-76.2-178.1170.4-174.80112.8L19 A20 T21 E25 V26 C27 A111 D112L19-K23 HydrophobicContact CD1-CD 4.45Å; L19-K23 HydrophobicContact CD1-CG 4.32Å; L19-K23 HydrophobicContact CG-CD 4.4Å; L19-K23 PolarHBondContact O-N 3.32Å; A20-K23 PolarHBondContact O-N 2.87Å; T21-K23 PolarHBondContact O-N 3.33Å; K23-E25 VanDerWaalsContact C-N 3.34Å; K23-V26 PolarHBondContact O-N 2.94Å; K23-C27 WeakPolarHBondContact O-CB 3.42Å; K23-C27 PolarHBondContact O-N 3.5Å; K23-A111 WeakPolarHBondContact CE-O 3.14Å; K23-D112 HydrophobicContact CG-CB 4.36Å
24D97.1Very high94.8Very high93 Ų9382.8 Ų82.850%0.49743%0.434SS..Hα-helixtrans-60.2-45.4176.5-178.9-93.6000111.2A20 T21 V26 C27 N28A20-D24 PolarHBondContact O-N 2.85Å; T21-D24 PolarHBondContact O-N 3.49Å; D24-V26 VanDerWaalsContact C-N 3.34Å; D24-V26 PolarHBondContact O-N 3.3Å; D24-C27 WeakPolarHBondContact O-CB 3.27Å; D24-C27 PolarHBondContact O-N 3.2Å; D24-N28 WeakPolarHBondContact O-CB 3.47Å; D24-N28 PolarHBondContact O-N 3.28Å; D24-N28 PolarHBondContact OD1-ND2 3.02Å
25E96.1Very high94.9Very high36 Ų3683.9 Ų83.917%0.16844%0.443CS..Hα-helixtrans-56.3-47.9174.9-80.9-178.7-11900111.6K17 T21 R22 K23 C27 N28 I29 K57 F114K17-E25 WeakPolarHBondContact CD-OE1 3.48Å; K17-E25 WeakPolarHBondContact CE-OE1 3.41Å; K17-E25 IonicContact NZ-OE1 2.58Å; K17-E25 PolarHBondContact NZ-OE1 3.06Å; K17-E25 IonicContact NZ-OE2 3.51Å; T21-E25 PolarHBondContact O-N 3.08Å; R22-E25 PolarHBondContact O-N 3.24Å; K23-E25 VanDerWaalsContact C-N 3.34Å; E25-C27 PolarHBondContact O-N 2.92Å; E25-N28 PolarHBondContact O-N 3.39Å; E25-I29 VanDerWaalsContact O-CG1 3.27Å; E25-I29 WeakPolarHBondContact O-CG1 3.16Å; E25-I29 WeakPolarHBondContact O-CG2 3.33Å; E25-I29 PolarHBondContact O-N 3.48Å; E25-K57 IonicContact OE2-NZ 3.44Å; E25-K57 PolarHBondContact OE2-NZ 3.36Å; E25-F114 HydrophobicContact CB-CE2 4.42Å; E25-F114 HydrophobicContact CB-CZ 4.32Å
26V96.6Very high95.1Very high9 Ų980.9 Ų80.96%0.05543%0.428CS..Hα-helixtrans-62.1-43.7178.2173.40000111.6R22 K23 D24 N28 I29 R30 P38 D112 F114R22-V26 WeakPolarHBondContact O-CG2 3.5Å; R22-V26 PolarHBondContact O-N 3.23Å; K23-V26 PolarHBondContact O-N 2.94Å; D24-V26 VanDerWaalsContact C-N 3.34Å; D24-V26 PolarHBondContact O-N 3.3Å; V26-N28 VanDerWaalsContact C-N 3.34Å; V26-N28 PolarHBondContact O-N 2.96Å; V26-I29 WeakPolarHBondContact O-CG1 3.37Å; V26-I29 PolarHBondContact O-N 3.42Å; V26-R30 HydrophobicContact CG1-CG 4.02Å; V26-R30 VanDerWaalsContact O-CB 3.29Å; V26-R30 WeakPolarHBondContact O-CB 3.16Å; V26-R30 VanDerWaalsContact O-CG 3.27Å; V26-R30 WeakPolarHBondContact O-CG 3.3Å; V26-R30 PolarHBondContact O-N 2.58Å; V26-P38 HydrophobicContact CG1-CG 4.1Å; V26-P38 HydrophobicContact CG2-CB 4.49Å; V26-P38 HydrophobicContact CG2-CG 4.35Å; V26-D112 WeakPolarHBondContact CG2-O 3.4Å; V26-F114 HydrophobicContact CG2-CD1 4.29Å; V26-F114 HydrophobicContact CG2-CD2 3.32Å; V26-F114 HydrophobicContact CG2-CE1 4.26Å; V26-F114 HydrophobicContact CG2-CE2 3.3Å; V26-F114 HydrophobicContact CG2-CG 3.84Å; V26-F114 HydrophobicContact CG2-CZ 3.78Å
27C95.8Very high95.5Very high88 Ų8876.4 Ų76.460%0.59541%0.412SS*.Hα-helixtrans-58.1-49.7178.1-167.40000110.8K23 D24 E25 R30 S31K23-C27 WeakPolarHBondContact O-CB 3.42Å; K23-C27 PolarHBondContact O-N 3.5Å; D24-C27 WeakPolarHBondContact O-CB 3.27Å; D24-C27 PolarHBondContact O-N 3.2Å; E25-C27 PolarHBondContact O-N 2.92Å; C27-R30 PolarHBondContact O-N 3.05Å; C27-S31 PolarHBondContact O-N 3.39Å
28N96.4Very high95.9Very high79 Ų7973 Ų7342%0.42240%0.397SS..Hα-helixtrans-63.3-45.7-179.2-79.2-27.6000112.8D24 E25 V26 K32D24-N28 WeakPolarHBondContact O-CB 3.47Å; D24-N28 PolarHBondContact O-N 3.28Å; D24-N28 PolarHBondContact OD1-ND2 3.02Å; E25-N28 PolarHBondContact O-N 3.39Å; V26-N28 VanDerWaalsContact C-N 3.34Å; V26-N28 PolarHBondContact O-N 2.96Å; N28-K32 WeakPolarHBondContact O-CG 3.32Å; N28-K32 PolarHBondContact O-N 2.95Å
29I95.5Very high96.1Very high42 Ų4268.4 Ų68.422%0.21537%0.366CS..Hα-helixtrans-72-34.1-179.865.6-169.2000112.4E25 V26 S31 K32 F33 P38 L59 F114E25-I29 VanDerWaalsContact O-CG1 3.27Å; E25-I29 WeakPolarHBondContact O-CG1 3.16Å; E25-I29 WeakPolarHBondContact O-CG2 3.33Å; E25-I29 PolarHBondContact O-N 3.48Å; V26-I29 WeakPolarHBondContact O-CG1 3.37Å; V26-I29 PolarHBondContact O-N 3.42Å; I29-S31 VanDerWaalsContact C-N 3.34Å; I29-K32 PolarHBondContact O-N 3.48Å; I29-F33 WeakPolarHBondContact O-CD2 3.27Å; I29-F33 PolarHBondContact O-N 2.76Å; I29-P38 HydrophobicContact CD1-CB 3.49Å; I29-P38 VanDerWaalsContact CD1-CB 3.49Å; I29-P38 HydrophobicContact CD1-CG 3.55Å; I29-P38 HydrophobicContact CG1-CG 4.08Å; I29-L59 HydrophobicContact CD1-CD2 4.48Å; I29-F114 HydrophobicContact CD1-CE1 4.08Å; I29-F114 HydrophobicContact CD1-CZ 4.21Å
30R94.4Very high96.2Very high105 Ų10564.8 Ų64.840%0.39635%0.348SS..Hα-helixtrans-70.6-32.6177.8-73.5-165.971.2-164.4-1.3112.1V26 C27 F33 P34 P38V26-R30 HydrophobicContact CG1-CG 4.02Å; V26-R30 VanDerWaalsContact O-CB 3.29Å; V26-R30 WeakPolarHBondContact O-CB 3.16Å; V26-R30 VanDerWaalsContact O-CG 3.27Å; V26-R30 WeakPolarHBondContact O-CG 3.3Å; V26-R30 PolarHBondContact O-N 2.58Å; C27-R30 PolarHBondContact O-N 3.05Å; R30-F33 CarbonylContact O-C 3.49Å; R30-P34 WeakPolarHBondContact O-CA 3.42Å; R30-P38 HydrophobicContact CG-CG 4.2Å
31S95.3Very high96.1Very high103 Ų10361.3 Ų61.372%0.7232%0.319SS*.Hα-helixtrans-63.9-42.4170.6-176.10000111.5C27 I29C27-S31 PolarHBondContact O-N 3.39Å; I29-S31 VanDerWaalsContact C-N 3.34Å
32K97.1Very high96Very high154 Ų15459.5 Ų59.567%0.6731%0.306SS*.Hα-helixtrans-75.2-32.8179.5-69.3177.2-178.4-178.90114.2N28 I29N28-K32 WeakPolarHBondContact O-CG 3.32Å; N28-K32 PolarHBondContact O-N 2.95Å; I29-K32 PolarHBondContact O-N 3.48Å
33F96Very high95.7Very high87 Ų8761.6 Ų61.638%0.38231%0.313SS..  trans-133.173.2-173.9-54-72.9000110.6I29 R30 N35 K36 L59I29-F33 WeakPolarHBondContact O-CD2 3.27Å; I29-F33 PolarHBondContact O-N 2.76Å; R30-F33 CarbonylContact O-C 3.49Å; F33-N35 PolarHBondContact O-N 3.32Å; F33-K36 HydrophobicContact CB-CB 4.02Å; F33-K36 HydrophobicContact CB-CD 4.4Å; F33-K36 HydrophobicContact CB-CG 4.32Å; F33-K36 PolarHBondContact O-N 2.92Å; F33-K36 VanDerWaalsContact O-N 3.08Å; F33-L59 HydrophobicContact CD2-CD1 3.62Å; F33-L59 HydrophobicContact CE2-CD1 3.8Å; F33-L59 HydrophobicContact CG-CD1 4.08Å; F33-L59 HydrophobicContact CZ-CD1 4.4Å
34P93.6Very high95.4Very high94 Ų9459.6 Ų59.661%0.6130%0.304SS*.THydrogen-bonded Turntrans-62.7-29.4-172.923.6-34.2000113.3R30R30-P34 WeakPolarHBondContact O-CA 3.42Å
35N94.1Very high94.9Very high106 Ų10661.6 Ų61.657%0.56731%0.313SS*.THydrogen-bonded Turntrans-92.911.9-179.5-64.7-26.1000113.6F33 F62F33-N35 PolarHBondContact O-N 3.32Å; N35-F62 HydrophobicContact CB-CD1 4.11Å; N35-F62 HydrophobicContact CB-CE1 3.86Å; N35-F62 WeakPolarHBondContact O-CD1 3.37Å
36K96.1Very high94.3Very high88 Ų8866.4 Ų66.438%0.38333%0.333SS..EExtended strand (participates in β ladder)trans-126.5147.3178.1-59.1-171.3-176.7-1800111.3F33 L59 V60F33-K36 HydrophobicContact CB-CB 4.02Å; F33-K36 HydrophobicContact CB-CD 4.4Å; F33-K36 HydrophobicContact CB-CG 4.32Å; F33-K36 PolarHBondContact O-N 2.92Å; F33-K36 VanDerWaalsContact O-N 3.08Å; K36-L59 HydrophobicContact CB-CB 4.11Å; K36-L59 HydrophobicContact CB-CD2 4.4Å; K36-L59 HydrophobicContact CD-CB 3.85Å; K36-V60 CarbonylContact C-O 3.54Å; K36-V60 WeakPolarHBondContact CA-O 3.49Å
37L96.6Very high93.9Very high13 Ų1366.1 Ų66.17%0.06833%0.331CS..EExtended strand (participates in β ladder)trans-104.1131.4-176.2-55.9173.1000109.4V39 L59 V60 F62 M101 Y105L37-V39 HydrophobicContact CB-CG2 4.33Å; L37-V39 PolarHBondContact O-N 3.25Å; L37-L59 WeakPolarHBondContact O-CA 3.41Å; L37-V60 PolarHBondContact N-O 2.95Å; L37-V60 PolarHBondContact O-N 3.01Å; L37-F62 HydrophobicContact CD1-CB 4.22Å; L37-F62 HydrophobicContact CG-CB 4.41Å; L37-M101 HydrophobicContact CD1-CB 3.86Å; L37-M101 VanDerWaalsContact CD1-O 3.27Å; L37-M101 WeakPolarHBondContact CD1-O 3.36Å; L37-Y105 HydrophobicContact CB-CD2 4.17Å; L37-Y105 HydrophobicContact CD1-CG 4.31Å; L37-Y105 HydrophobicContact CD2-CD1 3.88Å; L37-Y105 HydrophobicContact CD2-CD2 4.17Å; L37-Y105 HydrophobicContact CD2-CE1 4.32Å; L37-Y105 HydrophobicContact CD2-CG 3.81Å; L37-Y105 HydrophobicContact CG-CG 4.43Å
38P97.3Very high93.3Very high1 Ų170.7 Ų70.71%0.00634%0.341CS..EExtended strand (participates in β ladder)trans-70.5115.1169.6-5.318.2000110.5V26 I29 R30 F114 L115V26-P38 HydrophobicContact CG1-CG 4.1Å; V26-P38 HydrophobicContact CG2-CB 4.49Å; V26-P38 HydrophobicContact CG2-CG 4.35Å; I29-P38 HydrophobicContact CD1-CB 3.49Å; I29-P38 VanDerWaalsContact CD1-CB 3.49Å; I29-P38 HydrophobicContact CD1-CG 3.55Å; I29-P38 HydrophobicContact CG1-CG 4.08Å; R30-P38 HydrophobicContact CG-CG 4.2Å; P38-F114 HydrophobicContact CB-CD1 3.28Å; P38-F114 HydrophobicContact CB-CE1 3.47Å; P38-F114 VanDerWaalsContact CB-CE1 3.47Å; P38-F114 HydrophobicContact CB-CG 4.13Å; P38-F114 HydrophobicContact CB-CZ 4.45Å; P38-L115 PolarHBondContact O-N 3.17Å
39V97.4Very high92.8Very high1 Ų170.4 Ų70.41%0.00634%0.342CS..EExtended strand (participates in β ladder)trans-122.9128.9178.3-173.20000109.9L37 V41 F58 V60 F69 M101 L115 I117L37-V39 HydrophobicContact CB-CG2 4.33Å; L37-V39 PolarHBondContact O-N 3.25Å; V39-V41 HydrophobicContact CG1-CG2 3.9Å; V39-F58 HydrophobicContact CB-CB 4.43Å; V39-F58 PolarHBondContact N-O 3.15Å; V39-F58 PolarHBondContact O-N 3.41Å; V39-V60 HydrophobicContact CB-CG2 3.99Å; V39-V60 HydrophobicContact CG2-CB 4.05Å; V39-V60 HydrophobicContact CG2-CG2 3.58Å; V39-F69 HydrophobicContact CG1-CE1 4.38Å; V39-F69 HydrophobicContact CG1-CZ 4.29Å; V39-M101 HydrophobicContact CG1-CE 4.44Å; V39-M101 HydrophobicContact CG2-CE 3.84Å; V39-L115 CarbonylContact C-O 3.6Å; V39-L115 WeakPolarHBondContact CA-O 3.17Å; V39-L115 HydrophobicContact CG2-CB 4.36Å; V39-L115 HydrophobicContact CG2-CD2 4.33Å; V39-I117 HydrophobicContact CG1-CD1 3.74Å; V39-I117 HydrophobicContact CG1-CG1 4Å
40I96.5Very high92.4Very high0 Ų068.5 Ų68.50%033%0.332CS..EExtended strand (participates in β ladder)trans-100.1122.2170.1-56.7-61.4000107.6F13 E42 T56 K57 F114 L115 Y116 I117F13-I40 HydrophobicContact CB-CG2 3.84Å; F13-I40 HydrophobicContact CD1-CD1 3.71Å; F13-I40 HydrophobicContact CD1-CG1 3.74Å; F13-I40 HydrophobicContact CD1-CG2 4.34Å; F13-I40 HydrophobicContact CD2-CD1 4.36Å; F13-I40 HydrophobicContact CE1-CD1 3.75Å; F13-I40 HydrophobicContact CE1-CG1 4.05Å; F13-I40 HydrophobicContact CE2-CD1 4.39Å; F13-I40 HydrophobicContact CG-CD1 4.04Å; F13-I40 HydrophobicContact CG-CG1 4.31Å; F13-I40 HydrophobicContact CG-CG2 4.2Å; F13-I40 HydrophobicContact CZ-CD1 4.11Å; I40-E42 HydrophobicContact CG2-CG 3.89Å; I40-T56 CarbonylContact C-O 3.57Å; I40-T56 VanDerWaalsContact CA-O 3.31Å; I40-T56 WeakPolarHBondContact CA-O 3.45Å; I40-K57 HydrophobicContact CD1-CB 4.28Å; I40-K57 HydrophobicContact CD1-CD 3.97Å; I40-K57 HydrophobicContact CD1-CG 3.62Å; I40-F114 HydrophobicContact CD1-CD1 3.66Å; I40-F114 HydrophobicContact CD1-CE1 3.84Å; I40-F114 HydrophobicContact CD1-CG 4.22Å; I40-F114 HydrophobicContact CG1-CB 3.92Å; I40-F114 HydrophobicContact CG1-CD1 3.61Å; I40-F114 HydrophobicContact CG1-CE1 4.31Å; I40-F114 HydrophobicContact CG1-CG 3.82Å; I40-L115 PolarHBondContact N-O 3.49Å; I40-Y116 HydrophobicContact CB-CD1 3.83Å; I40-Y116 HydrophobicContact CB-CE1 3.97Å; I40-Y116 HydrophobicContact CB-CG 4.47Å; I40-Y116 HydrophobicContact CG1-CD1 4.28Å; I40-Y116 HydrophobicContact CG1-CE1 3.95Å; I40-Y116 HydrophobicContact CG2-CD1 3.95Å; I40-Y116 HydrophobicContact CG2-CE1 4.02Å; I40-I117 PolarHBondContact O-N 3.31Å
41V95.3Very high92.1Very high0 Ų065.9 Ų65.90%033%0.329CS..EExtended strand (participates in β ladder)trans-117.1117.9177.8-173.60000108.9V39 L53 T56 F58 F69 L73 I117 Y119V39-V41 HydrophobicContact CG1-CG2 3.9Å; V41-L53 HydrophobicContact CB-CD1 4.11Å; V41-L53 HydrophobicContact CG1-CD1 3.64Å; V41-T56 PolarHBondContact N-O 3.31Å; V41-T56 WeakPolarHBondContact O-CA 3.43Å; V41-T56 VanDerWaalsContact O-CB 3.23Å; V41-T56 WeakPolarHBondContact O-CB 3.27Å; V41-T56 WeakPolarHBondContact O-CG2 3.49Å; V41-F58 HydrophobicContact CB-CD2 3.98Å; V41-F58 HydrophobicContact CB-CE2 3.77Å; V41-F58 HydrophobicContact CG2-CD2 3.6Å; V41-F58 HydrophobicContact CG2-CE2 3.85Å; V41-F58 HydrophobicContact CG2-CG 4.49Å; V41-F69 HydrophobicContact CG2-CE1 3.98Å; V41-F69 HydrophobicContact CG2-CZ 3.79Å; V41-L73 HydrophobicContact CG1-CD1 3.93Å; V41-L73 HydrophobicContact CG1-CD2 4.21Å; V41-L73 HydrophobicContact CG2-CD1 4.35Å; V41-L73 HydrophobicContact CG2-CD2 4.48Å; V41-I117 VanDerWaalsContact CA-O 3.26Å; V41-I117 WeakPolarHBondContact CA-O 3.43Å; V41-I117 HydrophobicContact CG2-CB 4.42Å; V41-Y119 HydrophobicContact CG1-CD1 3.84Å; V41-Y119 HydrophobicContact CG1-CE1 4.43Å
42E93.7Very high91.8Very high31 Ų3164.4 Ų64.415%0.14531%0.313CS..EExtended strand (participates in β ladder)trans-127.8153.8-178.3-65.6-177.3127.700111P12 F13 I40 T56 I117 T118 Y119P12-E42 WeakPolarHBondContact CA-OE1 3.4Å; F13-E42 WeakPolarHBondContact CB-OE1 3.29Å; F13-E42 PolarHBondContact N-OE1 3.43Å; F13-E42 PolarHBondContact N-OE2 3.26Å; I40-E42 HydrophobicContact CG2-CG 3.89Å; E42-T56 HydrophobicContact CG-CG2 4.37Å; E42-I117 PolarHBondContact N-O 3.31Å; E42-T118 CarbonylContact O-C 3.52Å; E42-T118 WeakPolarHBondContact O-CA 3.33Å; E42-Y119 VanDerWaalsContact C-CE1 3.48Å; E42-Y119 WeakPolarHBondContact O-CD1 3.06Å; E42-Y119 PolarHBondContact O-N 2.66Å
43R91.9Very high91.4Very high62 Ų6258 Ų5823%0.23429%0.286CS..EExtended strand (participates in β ladder)trans-70.6137.3173.8-164.3177.375.7-172.7-3.1109.1E47 L50 L52 Y119R43-E47 HydrophobicContact CG-CB 3.82Å; R43-E47 HydrophobicContact CG-CG 3.67Å; R43-E47 PolarHBondContact NE-O 3.23Å; R43-E47 PolarHBondContact NH2-O 3.25Å; R43-L50 VanDerWaalsContact CD-O 3.26Å; R43-L50 WeakPolarHBondContact CD-O 3.32Å; R43-L50 PolarHBondContact NH1-O 2.91Å; R43-L52 HydrophobicContact CB-CD2 3.9Å; R43-Y119 VanDerWaalsContact CA-CE1 3.48Å; R43-Y119 HydrophobicContact CB-CE1 3.85Å; R43-Y119 HydrophobicContact CB-CE2 4.08Å; R43-Y119 HydrophobicContact CG-CD2 4.36Å; R43-Y119 HydrophobicContact CG-CE1 4.39Å; R43-Y119 HydrophobicContact CG-CE2 3.73Å; R43-Y119 VanDerWaalsContact N-CE1 3.34Å
44Y90.3Very high90.9Very high60 Ų6061.6 Ų61.624%0.23531%0.309CS..  trans-58.8141.5174.8-176.3-124.7000110.8K46 E47 Y119 A120Y44-K46 HydrophobicContact CD1-CB 3.88Å; Y44-K46 HydrophobicContact CD1-CG 4.42Å; Y44-K46 HydrophobicContact CE1-CB 3.55Å; Y44-K46 HydrophobicContact CE1-CD 3.87Å; Y44-K46 HydrophobicContact CE1-CG 3.72Å; Y44-K46 PolarHBondContact O-N 2.89Å; Y44-E47 VanDerWaalsContact O-CB 3.25Å; Y44-E47 WeakPolarHBondContact O-CB 3.36Å; Y44-E47 PolarHBondContact O-N 3.48Å; Y44-Y119 WeakPolarHBondContact CB-O 3.41Å; Y44-Y119 PolarHBondContact N-O 3Å; Y44-A120 HydrophobicContact CD1-CB 4.34Å; Y44-A120 HydrophobicContact CG-CB 4.42Å
45I86.4Confident90.7Very high134 Ų13464.7 Ų64.769%0.68731%0.313SS*.THydrogen-bonded Turntrans-63.7-28.6-171.2-164.6167.1000113.3
46K85Confident90.6Very high138 Ų13861.2 Ų61.260%0.630%0.296SS*.THydrogen-bonded Turntrans-89.9-5.5177.9-53.1-176.8-178.81740113.3Y44Y44-K46 HydrophobicContact CD1-CB 3.88Å; Y44-K46 HydrophobicContact CD1-CG 4.42Å; Y44-K46 HydrophobicContact CE1-CB 3.55Å; Y44-K46 HydrophobicContact CE1-CD 3.87Å; Y44-K46 HydrophobicContact CE1-CG 3.72Å; Y44-K46 PolarHBondContact O-N 2.89Å
47E87.6Confident90.6Very high3 Ų362 Ų621%0.01430%0.299CS..  trans-75.2128177.7176.253-107.600110.3R43 Y44 T49 L50 S121 A124R43-E47 HydrophobicContact CG-CB 3.82Å; R43-E47 HydrophobicContact CG-CG 3.67Å; R43-E47 PolarHBondContact NE-O 3.23Å; R43-E47 PolarHBondContact NH2-O 3.25Å; Y44-E47 VanDerWaalsContact O-CB 3.25Å; Y44-E47 WeakPolarHBondContact O-CB 3.36Å; Y44-E47 PolarHBondContact O-N 3.48Å; E47-T49 WeakPolarHBondContact OE1-CA 3.12Å; E47-T49 PolarHBondContact OE1-N 3.01Å; E47-T49 PolarHBondContact OE1-OG1 3.02Å; E47-L50 HydrophobicContact CG-CB 3.84Å; E47-L50 HydrophobicContact CG-CD1 4.46Å; E47-L50 HydrophobicContact CG-CG 4.05Å; E47-L50 PolarHBondContact OE1-N 2.86Å; E47-S121 WeakPolarHBondContact OE2-CA 3.46Å; E47-S121 WeakPolarHBondContact OE2-CB 3.2Å; E47-S121 PolarHBondContact OE2-N 2.89Å; E47-S121 PolarHBondContact OE2-OG 2.71Å; E47-A124 HydrophobicContact CB-CB 4.22Å; E47-A124 WeakPolarHBondContact OE2-CB 3.47Å
48K83.5Confident90.5Very high184 Ų18463.5 Ų63.580%0.831%0.305SS*.  trans-124.9-22.4-173.7-64.9-176.4-178.3-179.20113.5
49T84.3Confident90.5Very high73 Ų7366.8 Ų66.845%0.44832%0.322SS..SBendtrans-93.2-38.9-174.763.10000111.5E47E47-T49 WeakPolarHBondContact OE1-CA 3.12Å; E47-T49 PolarHBondContact OE1-N 3.01Å; E47-T49 PolarHBondContact OE1-OG1 3.02Å
50L87.8Confident90.4Very high1 Ų167 Ų671%0.00532%0.323CS..SBendtrans-75139.4-178.1-56.1-167.9000112.4R43 E47 L79 L85 Y119R43-L50 VanDerWaalsContact CD-O 3.26Å; R43-L50 WeakPolarHBondContact CD-O 3.32Å; R43-L50 PolarHBondContact NH1-O 2.91Å; E47-L50 HydrophobicContact CG-CB 3.84Å; E47-L50 HydrophobicContact CG-CD1 4.46Å; E47-L50 HydrophobicContact CG-CG 4.05Å; E47-L50 PolarHBondContact OE1-N 2.86Å; L50-L79 HydrophobicContact CD1-CD2 4.35Å; L50-L79 HydrophobicContact CD2-CD2 3.46Å; L50-L79 VanDerWaalsContact CD2-CD2 3.46Å; L50-L79 HydrophobicContact CG-CD2 4.35Å; L50-L85 HydrophobicContact CD1-CD1 3.58Å; L50-Y119 HydrophobicContact CB-CE2 4.17Å; L50-Y119 HydrophobicContact CD1-CD2 4.02Å; L50-Y119 HydrophobicContact CD1-CE2 4.4Å
51P88.7Confident90.5Very high51 Ų5169.7 Ų69.733%0.33134%0.341SS..PPolyproline II helixtrans-68.1161.4177.627.4-31.8000111.8I77 Y119P51-I77 HydrophobicContact CG-CG2 3.63Å; P51-Y119 PolarHBondContact O-OH 3.18Å
52L88.1Confident90.4Very high71 Ų7173.6 Ų73.637%0.37236%0.358SS..PPolyproline II helixtrans-75.5148.4173.2-67.5173.1000110.5E9 R43 Y119E9-L52 HydrophobicContact CB-CD1 4.34Å; R43-L52 HydrophobicContact CB-CD2 3.9Å; L52-Y119 WeakPolarHBondContact CA-OH 3.25Å
53L89.5Confident90.5Very high20 Ų2079 Ų7911%0.10538%0.383CS..PPolyproline II helixtrans-77.3138168.6-77168.3000110.4V41 K55 F58 L73 K76 I77 Y119V41-L53 HydrophobicContact CB-CD1 4.11Å; V41-L53 HydrophobicContact CG1-CD1 3.64Å; L53-K55 WeakPolarHBondContact CB-O 3.44Å; L53-K55 PolarHBondContact O-N 3.23Å; L53-F58 HydrophobicContact CD1-CE2 4.26Å; L53-F58 HydrophobicContact CD1-CZ 4.26Å; L53-L73 HydrophobicContact CD1-CD2 4.23Å; L53-K76 HydrophobicContact CD2-CB 3.91Å; L53-I77 HydrophobicContact CD2-CD1 4.29Å; L53-I77 HydrophobicContact CD2-CG1 3.42Å; L53-I77 VanDerWaalsContact CD2-CG1 3.42Å; L53-I77 HydrophobicContact CG-CD1 4.4Å; L53-I77 HydrophobicContact CG-CG1 3.89Å; L53-Y119 HydrophobicContact CD1-CD1 4.13Å; L53-Y119 HydrophobicContact CD1-CE1 3.61Å; L53-Y119 HydrophobicContact CG-CE1 3.91Å; L53-Y119 PolarHBondContact N-OH 2.62Å
54D85.8Confident90.7Very high163 Ų16377.4 Ų77.487%0.87238%0.379SS*.SBendtrans-61-30.2171.8-61.9-71.7000112.8
55K89.4Confident91Very high158 Ų15876.3 Ų76.369%0.68738%0.379SS*.  trans-132.3130.7-178.7-63.5-177.7-177.2177.60109.5L53 F58L53-K55 WeakPolarHBondContact CB-O 3.44Å; L53-K55 PolarHBondContact O-N 3.23Å; K55-F58 WeakPolarHBondContact O-CE2 3.21Å; K55-F58 WeakPolarHBondContact O-CZ 3.42Å
56T92.4Very high91.4Very high34 Ų3469.9 Ų69.921%0.20935%0.346CS..  trans-101.6-10.917858.20000113.1I40 V41 E42I40-T56 CarbonylContact C-O 3.57Å; I40-T56 VanDerWaalsContact CA-O 3.31Å; I40-T56 WeakPolarHBondContact CA-O 3.45Å; V41-T56 PolarHBondContact N-O 3.31Å; V41-T56 WeakPolarHBondContact O-CA 3.43Å; V41-T56 VanDerWaalsContact O-CB 3.23Å; V41-T56 WeakPolarHBondContact O-CB 3.27Å; V41-T56 WeakPolarHBondContact O-CG2 3.49Å; E42-T56 HydrophobicContact CG-CG2 4.37Å
57K94.2Very high91.8Very high103 Ų10364.5 Ų64.545%0.44833%0.329SS..EExtended strand (participates in β ladder)trans-107.8125.8-178.7-53.8-162.3-67.6178.50110.9F13 E25 I40F13-K57 HydrophobicContact CE2-CD 3.9Å; F13-K57 HydrophobicContact CZ-CD 4.22Å; E25-K57 IonicContact OE2-NZ 3.44Å; E25-K57 PolarHBondContact OE2-NZ 3.36Å; I40-K57 HydrophobicContact CD1-CB 4.28Å; I40-K57 HydrophobicContact CD1-CD 3.97Å; I40-K57 HydrophobicContact CD1-CG 3.62Å
58F95.7Very high92.1Very high46 Ų4669.2 Ų69.220%0.20235%0.351CS..EExtended strand (participates in β ladder)trans-128.5146.3-176.7-62.6-93.7000111V39 V41 L53 K55 V60 L73V39-F58 HydrophobicContact CB-CB 4.43Å; V39-F58 PolarHBondContact N-O 3.15Å; V39-F58 PolarHBondContact O-N 3.41Å; V41-F58 HydrophobicContact CB-CD2 3.98Å; V41-F58 HydrophobicContact CB-CE2 3.77Å; V41-F58 HydrophobicContact CG2-CD2 3.6Å; V41-F58 HydrophobicContact CG2-CE2 3.85Å; V41-F58 HydrophobicContact CG2-CG 4.49Å; L53-F58 HydrophobicContact CD1-CE2 4.26Å; L53-F58 HydrophobicContact CD1-CZ 4.26Å; K55-F58 WeakPolarHBondContact O-CE2 3.21Å; K55-F58 WeakPolarHBondContact O-CZ 3.42Å; F58-V60 HydrophobicContact CB-CG2 3.99Å; F58-L73 HydrophobicContact CE1-CD2 4.38Å; F58-L73 HydrophobicContact CE2-CD2 4.45Å; F58-L73 HydrophobicContact CZ-CD2 4.08Å
59L96.6Very high92.7Very high70 Ų7060.8 Ų60.837%0.36631%0.314SS..EExtended strand (participates in β ladder)trans-108.3107167-73176.7000108I29 F33 K36 L37I29-L59 HydrophobicContact CD1-CD2 4.48Å; F33-L59 HydrophobicContact CD2-CD1 3.62Å; F33-L59 HydrophobicContact CE2-CD1 3.8Å; F33-L59 HydrophobicContact CG-CD1 4.08Å; F33-L59 HydrophobicContact CZ-CD1 4.4Å; K36-L59 HydrophobicContact CB-CB 4.11Å; K36-L59 HydrophobicContact CB-CD2 4.4Å; K36-L59 HydrophobicContact CD-CB 3.85Å; L37-L59 WeakPolarHBondContact O-CA 3.41Å
60V96.8Very high93Very high5 Ų559 Ų593%0.0330%0.302CS..EExtended strand (participates in β ladder)trans-106.8131.2-171-171.30000110.1K36 L37 V39 F58 L64 F69 M101K36-V60 CarbonylContact C-O 3.54Å; K36-V60 WeakPolarHBondContact CA-O 3.49Å; L37-V60 PolarHBondContact N-O 2.95Å; L37-V60 PolarHBondContact O-N 3.01Å; V39-V60 HydrophobicContact CB-CG2 3.99Å; V39-V60 HydrophobicContact CG2-CB 4.05Å; V39-V60 HydrophobicContact CG2-CG2 3.58Å; F58-V60 HydrophobicContact CB-CG2 3.99Å; V60-L64 HydrophobicContact CG1-CB 4.32Å; V60-L64 HydrophobicContact CG1-CD2 4.04Å; V60-F69 HydrophobicContact CG1-CD2 3.95Å; V60-F69 HydrophobicContact CG1-CE2 4.2Å; V60-F69 HydrophobicContact CG2-CD2 4.07Å; V60-F69 HydrophobicContact CG2-CE2 3.45Å; V60-F69 VanDerWaalsContact CG2-CE2 3.45Å; V60-F69 HydrophobicContact CG2-CZ 3.93Å; V60-M101 HydrophobicContact CB-CE 4.38Å; V60-M101 HydrophobicContact CG1-CB 4.31Å; V60-M101 HydrophobicContact CG1-CE 4.11Å; V60-M101 HydrophobicContact CG1-CG 3.94Å; V60-M101 HydrophobicContact CG2-CE 4.43Å
61P97.1Very high93.1Very high56 Ų5662.4 Ų62.436%0.36433%0.325SS..EExtended strand (participates in β ladder)trans-59.1142.7173-21.633000111.8E63 L64P61-E63 VanDerWaalsContact C-N 3.31Å; P61-E63 PolarHBondContact O-N 3.3Å; P61-L64 HydrophobicContact CB-CB 4.4Å; P61-L64 WeakPolarHBondContact O-CB 3.42Å; P61-L64 PolarHBondContact O-N 2.87Å
62F94.6Very high93.2Very high83 Ų8364.3 Ų64.336%0.36433%0.332SS..THydrogen-bonded Turntrans-66.6-31.2-176.563.8-91.8000113.8N35 L37 L64 M101 G102N35-F62 HydrophobicContact CB-CD1 4.11Å; N35-F62 HydrophobicContact CB-CE1 3.86Å; N35-F62 WeakPolarHBondContact O-CD1 3.37Å; L37-F62 HydrophobicContact CD1-CB 4.22Å; L37-F62 HydrophobicContact CG-CB 4.41Å; F62-L64 VanDerWaalsContact C-N 3.27Å; F62-L64 PolarHBondContact O-N 2.79Å; F62-M101 PolarHBondContact O-N 3.49Å; F62-G102 PolarHBondContact O-N 3.26Å
63E94.6Very high93.4Very high145 Ų14561 Ų6168%0.67832%0.315SS*.THydrogen-bonded Turntrans-74.8-19.3-178.1-57.3176.898.400113P61 T65P61-E63 VanDerWaalsContact C-N 3.31Å; P61-E63 PolarHBondContact O-N 3.3Å; E63-T65 PolarHBondContact O-N 2.58Å
64L96.3Very high93.3Very high27 Ų2764.2 Ų64.214%0.14133%0.325CS..  trans-66.1134-176.7-165.5137.8000109.2V60 P61 F62 Q68 F69 L72 M101V60-L64 HydrophobicContact CG1-CB 4.32Å; V60-L64 HydrophobicContact CG1-CD2 4.04Å; P61-L64 HydrophobicContact CB-CB 4.4Å; P61-L64 WeakPolarHBondContact O-CB 3.42Å; P61-L64 PolarHBondContact O-N 2.87Å; F62-L64 VanDerWaalsContact C-N 3.27Å; F62-L64 PolarHBondContact O-N 2.79Å; L64-Q68 HydrophobicContact CD2-CB 4Å; L64-Q68 HydrophobicContact CG-CB 3.96Å; L64-F69 HydrophobicContact CD2-CB 3.43Å; L64-F69 VanDerWaalsContact CD2-CB 3.43Å; L64-F69 HydrophobicContact CD2-CD2 4.09Å; L64-F69 HydrophobicContact CD2-CG 4.2Å; L64-F69 VanDerWaalsContact CD2-N 3.35Å; L64-L72 HydrophobicContact CD1-CD1 3.76Å; L64-M101 HydrophobicContact CD2-CG 4.22Å; L64-M101 WeakPolarHBondContact O-CB 3.48Å; L64-M101 WeakPolarHBondContact O-CG 3.23Å; L64-M101 PolarHBondContact O-N 2.87Å
65T96.4Very high93.3Very high37 Ų3762.5 Ų62.523%0.22732%0.317CS..BIsolated β-bridgetrans-83156.8179.760.30000111.7E63 G67 Q68 F69 S98 S99E63-T65 PolarHBondContact O-N 2.58Å; T65-G67 PolarHBondContact O-N 3.5Å; T65-Q68 PolarHBondContact O-N 3.2Å; T65-Q68 VanDerWaalsContact O-N 3.15Å; T65-Q68 WeakPolarHBondContact OG1-CB 3.01Å; T65-Q68 VanDerWaalsContact OG1-CD 3.28Å; T65-Q68 WeakPolarHBondContact OG1-CG 3.25Å; T65-Q68 PolarHBondContact OG1-N 3Å; T65-Q68 PolarHBondContact OG1-OE1 3.47Å; T65-F69 PolarHBondContact O-N 3.29Å; T65-S98 WeakPolarHBondContact CG2-O 3.22Å; T65-S99 CarbonylContact C-O 3.56Å; T65-S99 WeakPolarHBondContact CA-O 3.47Å
66L94.3Very high93.1Very high0 Ų061.9 Ų61.90%031%0.314CS..Hα-helixtrans-56.3-38.9176-175.462.9000112.4F69 L70 L87 V89 M94 M97 S99 M101 I104L66-F69 WeakPolarHBondContact O-CB 3.47Å; L66-F69 PolarHBondContact O-N 2.87Å; L66-L70 WeakPolarHBondContact O-CB 3.24Å; L66-L70 PolarHBondContact O-N 3.42Å; L66-L87 HydrophobicContact CD1-CD1 3.81Å; L66-V89 HydrophobicContact CD1-CG2 4.34Å; L66-M94 HydrophobicContact CD2-CB 3.52Å; L66-M94 HydrophobicContact CD2-CG 4.04Å; L66-M97 HydrophobicContact CD2-SD 4.08Å; L66-M97 HydrophobicContact CG-SD 4.1Å; L66-M97 PolarHBondContact N-O 3Å; L66-S99 PolarHBondContact N-O 3.2Å; L66-M101 HydrophobicContact CD1-SD 4.24Å; L66-I104 HydrophobicContact CB-CD1 3.72Å; L66-I104 HydrophobicContact CD1-CD1 4.17Å; L66-I104 HydrophobicContact CD2-CD1 4.12Å; L66-I104 HydrophobicContact CG-CD1 4.22Å
67G93.5Very high92.7Very high24 Ų2460.3 Ų60.325%0.24730%0.304CS..Hα-helixtrans-65.4-41.7176.900000113T65 F69 L70 C71 M97T65-G67 PolarHBondContact O-N 3.5Å; G67-F69 VanDerWaalsContact C-N 3.3Å; G67-F69 PolarHBondContact O-N 2.81Å; G67-L70 PolarHBondContact O-N 3.45Å; G67-C71 PolarHBondContact O-N 3.25Å; G67-M97 PolarHBondContact N-O 3.08Å
68Q94.9Very high91.8Very high102 Ų10259.8 Ų59.848%0.47732%0.319SS..Hα-helixtrans-63.3-39.6171.7-74.2166.8-29.300111.1L64 T65 C71 L72L64-Q68 HydrophobicContact CD2-CB 4Å; L64-Q68 HydrophobicContact CG-CB 3.96Å; T65-Q68 PolarHBondContact O-N 3.2Å; T65-Q68 VanDerWaalsContact O-N 3.15Å; T65-Q68 WeakPolarHBondContact OG1-CB 3.01Å; T65-Q68 VanDerWaalsContact OG1-CD 3.28Å; T65-Q68 WeakPolarHBondContact OG1-CG 3.25Å; T65-Q68 PolarHBondContact OG1-N 3Å; T65-Q68 PolarHBondContact OG1-OE1 3.47Å; Q68-C71 WeakPolarHBondContact O-CB 3.42Å; Q68-C71 PolarHBondContact O-N 3.46Å; Q68-L72 WeakPolarHBondContact O-CG 3.31Å; Q68-L72 PolarHBondContact O-N 3.27Å
69F94.8Very high90.9Very high7 Ų758.9 Ų58.93%0.03132%0.316CS..Hα-helixtrans-64.6-42.8178.9-170.6-121.4000111.4V39 V41 V60 L64 T65 L66 G67 C71 L72 L73 L87 M101 I117V39-F69 HydrophobicContact CG1-CE1 4.38Å; V39-F69 HydrophobicContact CG1-CZ 4.29Å; V41-F69 HydrophobicContact CG2-CE1 3.98Å; V41-F69 HydrophobicContact CG2-CZ 3.79Å; V60-F69 HydrophobicContact CG1-CD2 3.95Å; V60-F69 HydrophobicContact CG1-CE2 4.2Å; V60-F69 HydrophobicContact CG2-CD2 4.07Å; V60-F69 HydrophobicContact CG2-CE2 3.45Å; V60-F69 VanDerWaalsContact CG2-CE2 3.45Å; V60-F69 HydrophobicContact CG2-CZ 3.93Å; L64-F69 HydrophobicContact CD2-CB 3.43Å; L64-F69 VanDerWaalsContact CD2-CB 3.43Å; L64-F69 HydrophobicContact CD2-CD2 4.09Å; L64-F69 HydrophobicContact CD2-CG 4.2Å; L64-F69 VanDerWaalsContact CD2-N 3.35Å; T65-F69 PolarHBondContact O-N 3.29Å; L66-F69 WeakPolarHBondContact O-CB 3.47Å; L66-F69 PolarHBondContact O-N 2.87Å; G67-F69 VanDerWaalsContact C-N 3.3Å; G67-F69 PolarHBondContact O-N 2.81Å; F69-C71 VanDerWaalsContact C-N 3.33Å; F69-C71 PolarHBondContact O-N 2.58Å; F69-L72 PolarHBondContact O-N 2.86Å; F69-L73 HydrophobicContact CD1-CD1 3.86Å; F69-L73 HydrophobicContact CD1-CG 4.46Å; F69-L73 HydrophobicContact CE1-CD1 3.44Å; F69-L73 VanDerWaalsContact CE1-CD1 3.44Å; F69-L73 HydrophobicContact CE1-CG 4.1Å; F69-L73 HydrophobicContact CE2-CG 4.38Å; F69-L73 HydrophobicContact CZ-CD1 3.84Å; F69-L73 HydrophobicContact CZ-CD2 4.27Å; F69-L73 HydrophobicContact CZ-CG 4.06Å; F69-L73 PolarHBondContact O-N 2.78Å; F69-L87 HydrophobicContact CD1-CD1 4.08Å; F69-M101 HydrophobicContact CB-SD 4.24Å; F69-M101 HydrophobicContact CD1-CE 4.07Å; F69-M101 HydrophobicContact CD1-SD 4.22Å; F69-M101 HydrophobicContact CE1-CE 4.27Å; F69-M101 HydrophobicContact CG-CE 4.31Å; F69-M101 HydrophobicContact CG-SD 4.27Å; F69-I117 HydrophobicContact CD1-CD1 4.24Å; F69-I117 HydrophobicContact CE1-CD1 3.88Å
70L91.6Very high89.7Confident35 Ų3560.6 Ų60.618%0.18333%0.325CS..Hα-helixtrans-57.5-45173.4174.668.3000111.5L66 G67 L72 L73 R74 L85 L87 M97L66-L70 WeakPolarHBondContact O-CB 3.24Å; L66-L70 PolarHBondContact O-N 3.42Å; G67-L70 PolarHBondContact O-N 3.45Å; L70-L72 PolarHBondContact O-N 2.83Å; L70-L73 PolarHBondContact O-N 3.46Å; L70-R74 WeakPolarHBondContact O-CB 3.34Å; L70-R74 PolarHBondContact O-N 3.44Å; L70-L85 HydrophobicContact CD1-CB 4.01Å; L70-L85 HydrophobicContact CD1-CD2 3.66Å; L70-L85 HydrophobicContact CD1-CG 3.74Å; L70-L85 WeakPolarHBondContact CD1-O 3.48Å; L70-L87 HydrophobicContact CB-CD1 3.9Å; L70-L87 HydrophobicContact CD1-CD1 4.07Å; L70-L87 HydrophobicContact CD1-CD2 4.29Å; L70-L87 HydrophobicContact CD1-CG 3.77Å; L70-M97 HydrophobicContact CD2-CE 4.24Å; L70-M97 HydrophobicContact CD2-SD 4.36Å
71C90.1Very high88.4Confident73 Ų7363.7 Ų63.749%0.49336%0.359SS..Hα-helixtrans-61.8-42.2176.8-174.70000112G67 Q68 F69 R74 N75G67-C71 PolarHBondContact O-N 3.25Å; Q68-C71 WeakPolarHBondContact O-CB 3.42Å; Q68-C71 PolarHBondContact O-N 3.46Å; F69-C71 VanDerWaalsContact C-N 3.33Å; F69-C71 PolarHBondContact O-N 2.58Å; C71-R74 WeakPolarHBondContact O-CB 3.38Å; C71-R74 PolarHBondContact O-N 3.05Å; C71-N75 PolarHBondContact O-N 3.42Å
72L91.4Very high87.3Confident92 Ų9267.3 Ų67.348%0.48238%0.38SS..Hα-helixtrans-63.7-42.8175.4-68.6176.6000112.2L64 Q68 F69 L70 R74 N75 K76L64-L72 HydrophobicContact CD1-CD1 3.76Å; Q68-L72 WeakPolarHBondContact O-CG 3.31Å; Q68-L72 PolarHBondContact O-N 3.27Å; F69-L72 PolarHBondContact O-N 2.86Å; L70-L72 PolarHBondContact O-N 2.83Å; L72-R74 VanDerWaalsContact C-N 3.34Å; L72-N75 PolarHBondContact O-N 2.85Å; L72-K76 WeakPolarHBondContact O-CG 3.31Å; L72-K76 PolarHBondContact O-N 3.34Å
73L91.1Very high86.5Confident2 Ų266 Ų661%0.0138%0.375CS..Hα-helixtrans-65.6-37.5176-75.7177.4000111.8V41 L53 F58 F69 L70 N75 K76 I77 L85 L87V41-L73 HydrophobicContact CG1-CD1 3.93Å; V41-L73 HydrophobicContact CG1-CD2 4.21Å; V41-L73 HydrophobicContact CG2-CD1 4.35Å; V41-L73 HydrophobicContact CG2-CD2 4.48Å; L53-L73 HydrophobicContact CD1-CD2 4.23Å; F58-L73 HydrophobicContact CE1-CD2 4.38Å; F58-L73 HydrophobicContact CE2-CD2 4.45Å; F58-L73 HydrophobicContact CZ-CD2 4.08Å; F69-L73 HydrophobicContact CD1-CD1 3.86Å; F69-L73 HydrophobicContact CD1-CG 4.46Å; F69-L73 HydrophobicContact CE1-CD1 3.44Å; F69-L73 VanDerWaalsContact CE1-CD1 3.44Å; F69-L73 HydrophobicContact CE1-CG 4.1Å; F69-L73 HydrophobicContact CE2-CG 4.38Å; F69-L73 HydrophobicContact CZ-CD1 3.84Å; F69-L73 HydrophobicContact CZ-CD2 4.27Å; F69-L73 HydrophobicContact CZ-CG 4.06Å; F69-L73 PolarHBondContact O-N 2.78Å; L70-L73 PolarHBondContact O-N 3.46Å; L73-N75 PolarHBondContact O-N 3.3Å; L73-K76 WeakPolarHBondContact O-CA 3.13Å; L73-K76 PolarHBondContact O-N 2.9Å; L73-I77 WeakPolarHBondContact O-CG1 3.41Å; L73-I77 PolarHBondContact O-N 3.48Å; L73-L85 HydrophobicContact CB-CD2 4.2Å; L73-L87 HydrophobicContact CD1-CD1 4.19Å; L73-L87 HydrophobicContact CD1-CD2 3.73Å
74R88.3Confident85.9Confident86 Ų8662 Ų6233%0.32536%0.361SS..Hα-helixtrans-58.8-33.6174.5-172.1-175.6178.697.35.8112.2L70 C71 L72 K76 L79 G81 Q83 L85L70-R74 WeakPolarHBondContact O-CB 3.34Å; L70-R74 PolarHBondContact O-N 3.44Å; C71-R74 WeakPolarHBondContact O-CB 3.38Å; C71-R74 PolarHBondContact O-N 3.05Å; L72-R74 VanDerWaalsContact C-N 3.34Å; R74-K76 VanDerWaalsContact C-N 3.32Å; R74-L79 HydrophobicContact CB-CD1 4.38Å; R74-L79 HydrophobicContact CG-CD1 3.81Å; R74-G81 PolarHBondContact NH2-O 3.31Å; R74-G81 VanDerWaalsContact NH2-O 3.09Å; R74-Q83 PolarHBondContact NH1-O 3.23Å; R74-Q83 PolarHBondContact NH2-O 3.23Å; R74-L85 HydrophobicContact CB-CD2 4.31Å
75N85.4Confident85.5Confident128 Ų12861.1 Ų61.168%0.68436%0.356SS*.Hα-helixtrans-77.9-16.9175.2-67-22000113.4C71 L72 L73C71-N75 PolarHBondContact O-N 3.42Å; L72-N75 PolarHBondContact O-N 2.85Å; L73-N75 PolarHBondContact O-N 3.3Å
76K85.9Confident85.1Confident144 Ų14462.2 Ų62.263%0.62636%0.358SS*.Hα-helixtrans-93.1-36179.3-68.1-66.3-177.1-172.80112.6L53 L72 L73 R74L53-K76 HydrophobicContact CD2-CB 3.91Å; L72-K76 WeakPolarHBondContact O-CG 3.31Å; L72-K76 PolarHBondContact O-N 3.34Å; L73-K76 WeakPolarHBondContact O-CA 3.13Å; L73-K76 PolarHBondContact O-N 2.9Å; R74-K76 VanDerWaalsContact C-N 3.32Å
77I84Confident85Confident2 Ų262.7 Ų62.71%0.0136%0.36CS..THydrogen-bonded Turntrans-82.5115.3171.5-55.9169.7000104.5P51 L53 L73 L79 L85 Y119P51-I77 HydrophobicContact CG-CG2 3.63Å; L53-I77 HydrophobicContact CD2-CD1 4.29Å; L53-I77 HydrophobicContact CD2-CG1 3.42Å; L53-I77 VanDerWaalsContact CD2-CG1 3.42Å; L53-I77 HydrophobicContact CG-CD1 4.4Å; L53-I77 HydrophobicContact CG-CG1 3.89Å; L73-I77 WeakPolarHBondContact O-CG1 3.41Å; L73-I77 PolarHBondContact O-N 3.48Å; I77-L79 HydrophobicContact CB-CD1 4.09Å; I77-L79 HydrophobicContact CB-CG 3.93Å; I77-L79 HydrophobicContact CG2-CD1 4.09Å; I77-L79 HydrophobicContact CG2-CD2 3.7Å; I77-L79 HydrophobicContact CG2-CG 3.58Å; I77-L79 WeakPolarHBondContact O-CG 3.42Å; I77-L79 PolarHBondContact O-N 3.27Å; I77-L85 HydrophobicContact CD1-CD1 3.73Å; I77-L85 HydrophobicContact CD1-CD2 3.82Å; I77-L85 HydrophobicContact CD1-CG 4.46Å; I77-Y119 HydrophobicContact CD1-CD1 4.26Å; I77-Y119 HydrophobicContact CD1-CD2 3.55Å; I77-Y119 HydrophobicContact CD1-CE1 4.32Å; I77-Y119 HydrophobicContact CD1-CE2 3.61Å; I77-Y119 HydrophobicContact CD1-CG 3.87Å; I77-Y119 HydrophobicContact CG1-CE2 4.38Å
78A73.8Confident84.8Confident91 Ų9162.3 Ų62.375%0.75235%0.352SS*.THydrogen-bonded Turntrans-65.776.7179.400000110.7
79L77Confident84.7Confident28 Ų2857.4 Ų57.415%0.14733%0.33CS..  trans-91.7136.1-174.6-71.5169000110.3L50 R74 I77 Q83 L85L50-L79 HydrophobicContact CD1-CD2 4.35Å; L50-L79 HydrophobicContact CD2-CD2 3.46Å; L50-L79 VanDerWaalsContact CD2-CD2 3.46Å; L50-L79 HydrophobicContact CG-CD2 4.35Å; R74-L79 HydrophobicContact CB-CD1 4.38Å; R74-L79 HydrophobicContact CG-CD1 3.81Å; I77-L79 HydrophobicContact CB-CD1 4.09Å; I77-L79 HydrophobicContact CB-CG 3.93Å; I77-L79 HydrophobicContact CG2-CD1 4.09Å; I77-L79 HydrophobicContact CG2-CD2 3.7Å; I77-L79 HydrophobicContact CG2-CG 3.58Å; I77-L79 WeakPolarHBondContact O-CG 3.42Å; I77-L79 PolarHBondContact O-N 3.27Å; L79-Q83 HydrophobicContact CD2-CB 4.17Å; L79-Q83 VanDerWaalsContact CD2-OE1 3.28Å; L79-L85 HydrophobicContact CD1-CB 3.89Å; L79-L85 HydrophobicContact CD1-CD1 4.26Å; L79-L85 HydrophobicContact CD1-CD2 4.06Å; L79-L85 HydrophobicContact CD1-CG 4.31Å
80D72.6Confident84.3Confident105 Ų10558.8 Ų58.856%0.56134%0.342SS*.  trans-62.9147.2164.7-72.4-77.4000110.5T82 Q83D80-T82 PolarHBondContact O-N 2.61Å; D80-Q83 HydrophobicContact CB-CG 4.27Å; D80-Q83 PolarHBondContact O-N 3.24Å
81G69.7Low83.8Confident71 Ų7165.2 Ų65.273%0.73237%0.371SS*.THydrogen-bonded Turntrans-55.7-25.2-176.600000114.3R74R74-G81 PolarHBondContact NH2-O 3.31Å; R74-G81 VanDerWaalsContact NH2-O 3.09Å
82T73.3Confident83.5Confident132 Ų13269.6 Ų69.681%0.8138%0.377SS*.THydrogen-bonded Turntrans-85.9-15.5-179.154.70000114D80D80-T82 PolarHBondContact O-N 2.61Å
83Q78.5Confident82.8Confident54 Ų5468.7 Ų68.725%0.25238%0.379SS..  trans-82.4134.5-177.7-68.8-179-17.100111.1R74 L79 D80R74-Q83 PolarHBondContact NH1-O 3.23Å; R74-Q83 PolarHBondContact NH2-O 3.23Å; L79-Q83 HydrophobicContact CD2-CB 4.17Å; L79-Q83 VanDerWaalsContact CD2-OE1 3.28Å; D80-Q83 HydrophobicContact CB-CG 4.27Å; D80-Q83 PolarHBondContact O-N 3.24Å
84T82Confident82.1Confident62 Ų6270.4 Ų70.438%0.3839%0.387SS..  trans-98.7131.8175.6-56.90000109.9F86 S121T84-F86 HydrophobicContact CG2-CD2 4.02Å; T84-F86 HydrophobicContact CG2-CE2 3.29Å; T84-F86 HydrophobicContact CG2-CZ 3.6Å; T84-S121 WeakPolarHBondContact O-CA 3.46Å
85L87.1Confident81.2Confident8 Ų872.3 Ų72.34%0.04241%0.414CS..EExtended strand (participates in β ladder)trans-105.4127.6179-176.570000109.5L50 L70 L73 R74 I77 L79 Y119L50-L85 HydrophobicContact CD1-CD1 3.58Å; L70-L85 HydrophobicContact CD1-CB 4.01Å; L70-L85 HydrophobicContact CD1-CD2 3.66Å; L70-L85 HydrophobicContact CD1-CG 3.74Å; L70-L85 WeakPolarHBondContact CD1-O 3.48Å; L73-L85 HydrophobicContact CB-CD2 4.2Å; R74-L85 HydrophobicContact CB-CD2 4.31Å; I77-L85 HydrophobicContact CD1-CD1 3.73Å; I77-L85 HydrophobicContact CD1-CD2 3.82Å; I77-L85 HydrophobicContact CD1-CG 4.46Å; L79-L85 HydrophobicContact CD1-CB 3.89Å; L79-L85 HydrophobicContact CD1-CD1 4.26Å; L79-L85 HydrophobicContact CD1-CD2 4.06Å; L79-L85 HydrophobicContact CD1-CG 4.31Å; L85-Y119 HydrophobicContact CD1-CD2 3.7Å; L85-Y119 HydrophobicContact CD1-CG 4.14Å
86F88.9Confident81.1Confident61 Ų6168.3 Ų68.327%0.26840%0.396SS..EExtended strand (participates in β ladder)trans-114146.7174.5-68.1-91.3000110.2T84 Y119 A120 Q122T84-F86 HydrophobicContact CG2-CD2 4.02Å; T84-F86 HydrophobicContact CG2-CE2 3.29Å; T84-F86 HydrophobicContact CG2-CZ 3.6Å; F86-Y119 WeakPolarHBondContact O-CA 3.43Å; F86-A120 PolarHBondContact N-O 2.84Å; F86-A120 PolarHBondContact O-N 3Å; F86-Q122 HydrophobicContact CD2-CB 4.38Å; F86-Q122 HydrophobicContact CE2-CB 3.61Å; F86-Q122 HydrophobicContact CE2-CG 3.89Å; F86-Q122 HydrophobicContact CZ-CB 4.4Å; F86-Q122 HydrophobicContact CZ-CG 4.2Å
87L90.8Very high81.2Confident9 Ų965 Ų655%0.04738%0.384CS..EExtended strand (participates in β ladder)trans-113.2136.9173.2-59.7179.3000110.1L66 F69 L70 L73 I117 T118L66-L87 HydrophobicContact CD1-CD1 3.81Å; F69-L87 HydrophobicContact CD1-CD1 4.08Å; L70-L87 HydrophobicContact CB-CD1 3.9Å; L70-L87 HydrophobicContact CD1-CD1 4.07Å; L70-L87 HydrophobicContact CD1-CD2 4.29Å; L70-L87 HydrophobicContact CD1-CG 3.77Å; L73-L87 HydrophobicContact CD1-CD1 4.19Å; L73-L87 HydrophobicContact CD1-CD2 3.73Å; L87-I117 HydrophobicContact CB-CG2 4.01Å; L87-I117 HydrophobicContact CD1-CG2 4.45Å; L87-I117 HydrophobicContact CD2-CG2 3.97Å; L87-I117 HydrophobicContact CG-CG2 4.34Å; L87-T118 CarbonylContact C-O 3.55Å; L87-T118 WeakPolarHBondContact CA-O 3.44Å
88L90.1Very high81.6Confident16 Ų1669.4 Ų69.48%0.08442%0.415CS..EExtended strand (participates in β ladder)trans-113.6125.2167.8-56.887.2000108.2R92 I117 T118 A120 F125L88-R92 CarbonylContact C-O 3.5Å; L88-R92 VanDerWaalsContact CA-O 3.22Å; L88-R92 WeakPolarHBondContact CA-O 3.43Å; L88-I117 CarbonylContact O-C 3.44Å; L88-I117 VanDerWaalsContact O-CA 3.22Å; L88-I117 WeakPolarHBondContact O-CA 3.08Å; L88-T118 WeakPolarHBondContact CB-OG1 3.1Å; L88-T118 PolarHBondContact N-O 2.96Å; L88-T118 PolarHBondContact O-N 3.23Å; L88-A120 HydrophobicContact CD1-CB 4.39Å; L88-F125 HydrophobicContact CD2-CE2 4.18Å; L88-F125 HydrophobicContact CG-CE2 4.37Å
89V91.8Very high82.6Confident0 Ų067 Ų670%039%0.392CS..EExtended strand (participates in β ladder)trans-100.9124.6177.7-177.80000108.3L66 E91 R92 M94 I104 F108 L115 I117L66-V89 HydrophobicContact CD1-CG2 4.34Å; V89-E91 PolarHBondContact O-N 2.85Å; V89-R92 PolarHBondContact N-O 2.79Å; V89-R92 PolarHBondContact O-N 2.92Å; V89-M94 HydrophobicContact CB-CE 3.62Å; V89-M94 HydrophobicContact CB-CG 3.92Å; V89-M94 HydrophobicContact CG1-CE 3.93Å; V89-M94 HydrophobicContact CG2-CE 4.09Å; V89-M94 HydrophobicContact CG2-CG 3.64Å; V89-I104 HydrophobicContact CB-CG2 4.41Å; V89-I104 HydrophobicContact CG1-CG2 3.56Å; V89-I104 HydrophobicContact CG2-CG2 4.21Å; V89-F108 HydrophobicContact CG1-CB 3.84Å; V89-F108 HydrophobicContact CG1-CG 4.22Å; V89-L115 HydrophobicContact CG1-CD1 3.67Å; V89-L115 HydrophobicContact CG1-CG 4.33Å; V89-I117 HydrophobicContact CG1-CG1 4.46Å; V89-I117 HydrophobicContact CG2-CD1 4.23Å; V89-I117 HydrophobicContact CG2-CG1 4.17Å
90A86.7Confident83.5Confident36 Ų3666.9 Ų66.930%0.29839%0.394SS..THydrogen-bonded Turntrans48.345.1-174.100000111.8R92 F108 Y116A90-R92 PolarHBondContact O-N 2.82Å; A90-F108 HydrophobicContact CB-CB 4.16Å; A90-F108 HydrophobicContact CB-CD1 4.29Å; A90-Y116 PolarHBondContact N-O 3.04Å
91E81.4Confident84.6Confident170 Ų17061.9 Ų61.979%0.79437%0.367SS*.THydrogen-bonded Turntrans65.212.4-179-51.1-176.9101.300115.3V89V89-E91 PolarHBondContact O-N 2.85Å
92R83.1Confident85.9Confident164 Ų16459.5 Ų59.562%0.61934%0.342SS*.EExtended strand (participates in β ladder)trans-112.6137.8177.5-59.7178.7-174.9-173.11.1111.1L88 V89 A90L88-R92 CarbonylContact C-O 3.5Å; L88-R92 VanDerWaalsContact CA-O 3.22Å; L88-R92 WeakPolarHBondContact CA-O 3.43Å; V89-R92 PolarHBondContact N-O 2.79Å; V89-R92 PolarHBondContact O-N 2.92Å; A90-R92 PolarHBondContact O-N 2.82Å
93S78.2Confident87Confident74 Ų7457.1 Ų57.152%0.51733%0.325SS..EExtended strand (participates in β ladder)trans-68.3134.6169.7560000110.2
94M76.1Confident87.8Confident38 Ų3854.8 Ų54.819%0.18731%0.314CS..  trans-102.2122.1176.7-72.3-67.2-165.600109.6L66 V89 I104 F108L66-M94 HydrophobicContact CD2-CB 3.52Å; L66-M94 HydrophobicContact CD2-CG 4.04Å; V89-M94 HydrophobicContact CB-CE 3.62Å; V89-M94 HydrophobicContact CB-CG 3.92Å; V89-M94 HydrophobicContact CG1-CE 3.93Å; V89-M94 HydrophobicContact CG2-CE 4.09Å; V89-M94 HydrophobicContact CG2-CG 3.64Å; M94-I104 HydrophobicContact CE-CG2 4.33Å; M94-F108 HydrophobicContact CE-CD1 4.17Å; M94-F108 HydrophobicContact CE-CD2 3.4Å; M94-F108 VanDerWaalsContact CE-CD2 3.4Å; M94-F108 HydrophobicContact CE-CE1 3.98Å; M94-F108 HydrophobicContact CE-CE2 3.22Å; M94-F108 HydrophobicContact CE-CG 3.91Å; M94-F108 HydrophobicContact CE-CZ 3.51Å; M94-F108 HydrophobicContact SD-CE2 4.44Å; M94-F108 HydrophobicContact SD-CZ 4.49Å
95S69Low88.4Confident125 Ų12552.4 Ų52.487%0.87430%0.298SS*.  trans-82-23.7173.445.40000112.7M97S95-M97 PolarHBondContact O-N 2.8Å
96S82.7Confident88.8Confident45 Ų4556.4 Ų56.432%0.31533%0.327SS..  trans-95.196.8-176.9-172.30000112.1S98 S99S96-S98 VanDerWaalsContact C-N 3.31Å; S96-S98 PolarHBondContact OG-OG 3Å; S96-S99 WeakPolarHBondContact CB-OG 3.47Å; S96-S99 PolarHBondContact OG-OG 3.49Å
97M88.5Confident89Confident74 Ų7462.4 Ų62.437%0.36535%0.348SS..THydrogen-bonded Turntrans-75.7-18.4175.1-66.8-63.1176.700113.4L66 G67 L70 S95L66-M97 HydrophobicContact CD2-SD 4.08Å; L66-M97 HydrophobicContact CG-SD 4.1Å; L66-M97 PolarHBondContact N-O 3Å; G67-M97 PolarHBondContact N-O 3.08Å; L70-M97 HydrophobicContact CD2-CE 4.24Å; L70-M97 HydrophobicContact CD2-SD 4.36Å; S95-M97 PolarHBondContact O-N 2.8Å
98S92.7Very high89.3Confident95 Ų9564.5 Ų64.566%0.66436%0.356SS*.THydrogen-bonded Turntrans-82.5-13179.252.10000113.6T65 S96 S100T65-S98 WeakPolarHBondContact CG2-O 3.22Å; S96-S98 VanDerWaalsContact C-N 3.31Å; S96-S98 PolarHBondContact OG-OG 3Å; S98-S100 PolarHBondContact O-N 3.32Å
99S94.1Very high89.5Confident39 Ų3969.8 Ų69.827%0.27338%0.375SS..SBendtrans-61.6135.8178.8-64.20000111.3T65 L66 S96T65-S99 CarbonylContact C-O 3.56Å; T65-S99 WeakPolarHBondContact CA-O 3.47Å; L66-S99 PolarHBondContact N-O 3.2Å; S96-S99 WeakPolarHBondContact CB-OG 3.47Å; S96-S99 PolarHBondContact OG-OG 3.49Å
100S96.4Very high89.7Confident26 Ų2672.5 Ų72.518%0.18239%0.39CS..BIsolated β-bridgetrans-66.7148.1173.982.40000110.6S98 G102 D103 I104S98-S100 PolarHBondContact O-N 3.32Å; S100-G102 PolarHBondContact O-N 3.23Å; S100-G102 PolarHBondContact OG-N 2.94Å; S100-D103 PolarHBondContact O-N 2.84Å; S100-D103 WeakPolarHBondContact OG-CB 3.26Å; S100-D103 PolarHBondContact OG-N 3.28Å; S100-D103 PolarHBondContact OG-OD2 3.19Å; S100-I104 WeakPolarHBondContact O-CG1 3.22Å; S100-I104 PolarHBondContact O-N 3.48Å
101M96.3Very high90.2Very high0 Ų074.4 Ų74.40%041%0.405CS..Hα-helixtrans-62.6-28.6174.2-74-67.2-68.800110.9L37 V39 V60 F62 L64 L66 F69 I104 Y105 L115 I117L37-M101 HydrophobicContact CD1-CB 3.86Å; L37-M101 VanDerWaalsContact CD1-O 3.27Å; L37-M101 WeakPolarHBondContact CD1-O 3.36Å; V39-M101 HydrophobicContact CG1-CE 4.44Å; V39-M101 HydrophobicContact CG2-CE 3.84Å; V60-M101 HydrophobicContact CB-CE 4.38Å; V60-M101 HydrophobicContact CG1-CB 4.31Å; V60-M101 HydrophobicContact CG1-CE 4.11Å; V60-M101 HydrophobicContact CG1-CG 3.94Å; V60-M101 HydrophobicContact CG2-CE 4.43Å; F62-M101 PolarHBondContact O-N 3.49Å; L64-M101 HydrophobicContact CD2-CG 4.22Å; L64-M101 WeakPolarHBondContact O-CB 3.48Å; L64-M101 WeakPolarHBondContact O-CG 3.23Å; L64-M101 PolarHBondContact O-N 2.87Å; L66-M101 HydrophobicContact CD1-SD 4.24Å; F69-M101 HydrophobicContact CB-SD 4.24Å; F69-M101 HydrophobicContact CD1-CE 4.07Å; F69-M101 HydrophobicContact CD1-SD 4.22Å; F69-M101 HydrophobicContact CE1-CE 4.27Å; F69-M101 HydrophobicContact CG-CE 4.31Å; F69-M101 HydrophobicContact CG-SD 4.27Å; M101-I104 HydrophobicContact SD-CD1 4.34Å; M101-Y105 WeakPolarHBondContact O-CB 3.37Å; M101-Y105 PolarHBondContact O-N 2.74Å; M101-L115 HydrophobicContact CE-CD2 3.96Å; M101-I117 HydrophobicContact CE-CD1 3.94Å
102G96.4Very high90.9Very high21 Ų2166.5 Ų66.522%0.21637%0.368CS..Hα-helixtrans-61.7-49.5171.600000113.3F62 S100 I104 Y105 S106F62-G102 PolarHBondContact O-N 3.26Å; S100-G102 PolarHBondContact O-N 3.23Å; S100-G102 PolarHBondContact OG-N 2.94Å; G102-I104 VanDerWaalsContact C-N 3.34Å; G102-I104 PolarHBondContact O-N 2.84Å; G102-Y105 PolarHBondContact O-N 3.3Å; G102-S106 PolarHBondContact O-N 3.09Å
103D95.4Very high91.5Very high83 Ų8359 Ų5944%0.44434%0.343SS..Hα-helixtrans-60.6-45.4176.1-81.8-76.1000111.5S100 S106 R107S100-D103 PolarHBondContact O-N 2.84Å; S100-D103 WeakPolarHBondContact OG-CB 3.26Å; S100-D103 PolarHBondContact OG-N 3.28Å; S100-D103 PolarHBondContact OG-OD2 3.19Å; D103-S106 PolarHBondContact O-N 2.67Å; D103-R107 WeakPolarHBondContact O-CG 3.49Å; D103-R107 PolarHBondContact O-N 3.02Å
104I95.5Very high92.4Very high5 Ų555.9 Ų55.93%0.02632%0.32CS..Hα-helixtrans-61.6-47.3178.2-66.7170.4000110.1L66 V89 M94 S100 M101 G102 S106 R107 F108 L115L66-I104 HydrophobicContact CB-CD1 3.72Å; L66-I104 HydrophobicContact CD1-CD1 4.17Å; L66-I104 HydrophobicContact CD2-CD1 4.12Å; L66-I104 HydrophobicContact CG-CD1 4.22Å; V89-I104 HydrophobicContact CB-CG2 4.41Å; V89-I104 HydrophobicContact CG1-CG2 3.56Å; V89-I104 HydrophobicContact CG2-CG2 4.21Å; M94-I104 HydrophobicContact CE-CG2 4.33Å; S100-I104 WeakPolarHBondContact O-CG1 3.22Å; S100-I104 PolarHBondContact O-N 3.48Å; M101-I104 HydrophobicContact SD-CD1 4.34Å; G102-I104 VanDerWaalsContact C-N 3.34Å; G102-I104 PolarHBondContact O-N 2.84Å; I104-S106 VanDerWaalsContact C-N 3.34Å; I104-S106 PolarHBondContact O-N 2.8Å; I104-R107 PolarHBondContact O-N 2.86Å; I104-F108 HydrophobicContact CG2-CD2 4.21Å; I104-F108 WeakPolarHBondContact O-CB 3.33Å; I104-F108 WeakPolarHBondContact O-CD2 3.41Å; I104-F108 PolarHBondContact O-N 2.75Å; I104-L115 HydrophobicContact CG2-CD1 4.25Å; I104-L115 HydrophobicContact CG2-CD2 3.89Å
105Y96Very high93.4Very high12 Ų1254 Ų545%0.04731%0.311CS..Hα-helixtrans-61-42.3179-180-88.5000112.1L37 M101 G102 R107 R109 G113 L115L37-Y105 HydrophobicContact CB-CD2 4.17Å; L37-Y105 HydrophobicContact CD1-CG 4.31Å; L37-Y105 HydrophobicContact CD2-CD1 3.88Å; L37-Y105 HydrophobicContact CD2-CD2 4.17Å; L37-Y105 HydrophobicContact CD2-CE1 4.32Å; L37-Y105 HydrophobicContact CD2-CG 3.81Å; L37-Y105 HydrophobicContact CG-CG 4.43Å; M101-Y105 WeakPolarHBondContact O-CB 3.37Å; M101-Y105 PolarHBondContact O-N 2.74Å; G102-Y105 PolarHBondContact O-N 3.3Å; Y105-R107 VanDerWaalsContact C-N 3.26Å; Y105-R107 PolarHBondContact O-N 2.95Å; Y105-R109 HydrophobicContact CD1-CB 4.46Å; Y105-R109 HydrophobicContact CD2-CB 4.12Å; Y105-R109 HydrophobicContact CE1-CB 4.31Å; Y105-R109 HydrophobicContact CE2-CB 3.9Å; Y105-R109 HydrophobicContact CG-CB 4.35Å; Y105-R109 WeakPolarHBondContact O-CB 3.42Å; Y105-R109 VanDerWaalsContact O-CG 3.27Å; Y105-R109 WeakPolarHBondContact O-CG 3.46Å; Y105-R109 PolarHBondContact O-N 3.05Å; Y105-G113 VanDerWaalsContact CE2-O 3.3Å; Y105-G113 WeakPolarHBondContact CE2-O 3.22Å; Y105-G113 VanDerWaalsContact CZ-O 3.32Å; Y105-G113 PolarHBondContact OH-O 2.99Å; Y105-L115 HydrophobicContact CD2-CB 3.77Å; Y105-L115 HydrophobicContact CE2-CB 4.33Å
106S94.8Very high94.7Very high92 Ų9249.3 Ų49.364%0.64327%0.274SS*.Hα-helixtrans-59.2-38.8178.1-169.60000112.5G102 D103 I104G102-S106 PolarHBondContact O-N 3.09Å; D103-S106 PolarHBondContact O-N 2.67Å; I104-S106 VanDerWaalsContact C-N 3.34Å; I104-S106 PolarHBondContact O-N 2.8Å
107R93.8Very high95.3Very high187 Ų18747.3 Ų47.371%0.70626%0.259SS*.Hα-helixtrans-87-32.1-176.8-64.4178.7-170.3-156.93.4114.6D103 I104 Y105D103-R107 WeakPolarHBondContact O-CG 3.49Å; D103-R107 PolarHBondContact O-N 3.02Å; I104-R107 PolarHBondContact O-N 2.86Å; Y105-R107 VanDerWaalsContact C-N 3.26Å; Y105-R107 PolarHBondContact O-N 2.95Å
108F95.4Very high95.5Very high52 Ų5245 Ų4523%0.22825%0.25CC..Hα-helixtrans-125.42.9-165.7-61.7-82.1000115V89 A90 M94 I104 L115V89-F108 HydrophobicContact CG1-CB 3.84Å; V89-F108 HydrophobicContact CG1-CG 4.22Å; A90-F108 HydrophobicContact CB-CB 4.16Å; A90-F108 HydrophobicContact CB-CD1 4.29Å; M94-F108 HydrophobicContact CE-CD1 4.17Å; M94-F108 HydrophobicContact CE-CD2 3.4Å; M94-F108 VanDerWaalsContact CE-CD2 3.4Å; M94-F108 HydrophobicContact CE-CE1 3.98Å; M94-F108 HydrophobicContact CE-CE2 3.22Å; M94-F108 HydrophobicContact CE-CG 3.91Å; M94-F108 HydrophobicContact CE-CZ 3.51Å; M94-F108 HydrophobicContact SD-CE2 4.44Å; M94-F108 HydrophobicContact SD-CZ 4.49Å; I104-F108 HydrophobicContact CG2-CD2 4.21Å; I104-F108 WeakPolarHBondContact O-CB 3.33Å; I104-F108 WeakPolarHBondContact O-CD2 3.41Å; I104-F108 PolarHBondContact O-N 2.75Å; F108-L115 HydrophobicContact CB-CD1 3.88Å
109R95.2Very high95.5Very high128 Ų12840.6 Ų40.648%0.48322%0.219SC..  trans-58.1148171.668-177.7-174.1159.11.4110.8Y105Y105-R109 HydrophobicContact CD1-CB 4.46Å; Y105-R109 HydrophobicContact CD2-CB 4.12Å; Y105-R109 HydrophobicContact CE1-CB 4.31Å; Y105-R109 HydrophobicContact CE2-CB 3.9Å; Y105-R109 HydrophobicContact CG-CB 4.35Å; Y105-R109 WeakPolarHBondContact O-CB 3.42Å; Y105-R109 VanDerWaalsContact O-CG 3.27Å; Y105-R109 WeakPolarHBondContact O-CG 3.46Å; Y105-R109 PolarHBondContact O-N 3.05Å
110D96.8Very high95.3Very high57 Ų5738.8 Ų38.831%0.30521%0.206SC..  trans-80.9171.5176.9-155.6-96000112.2K14 D112 G113 F114 Y116K14-D110 IonicContact NZ-OD1 3.24Å; K14-D110 PolarHBondContact NZ-OD1 2.74Å; K14-D110 IonicContact NZ-OD2 2.61Å; K14-D110 PolarHBondContact NZ-OD2 3.28Å; D110-D112 VanDerWaalsContact CB-OD1 3.31Å; D110-D112 WeakPolarHBondContact CB-OD1 3.5Å; D110-D112 PolarHBondContact O-N 2.77Å; D110-G113 WeakPolarHBondContact O-CA 3.49Å; D110-G113 PolarHBondContact O-N 3.1Å; D110-F114 PolarHBondContact N-O 3.21Å; D110-Y116 HydrophobicContact CB-CD2 3.76Å; D110-Y116 HydrophobicContact CB-CE2 3.62Å
111A95.7Very high94.9Very high75 Ų7537.8 Ų37.862%0.6220%0.199SC*.THydrogen-bonded Turntrans-64.3-22.4178.300000113.1K23 G113K23-A111 WeakPolarHBondContact CE-O 3.14Å; A111-G113 VanDerWaalsContact C-N 3.34Å
112D96.6Very high94Very high4 Ų443.3 Ų43.32%0.02123%0.225CC..THydrogen-bonded Turntrans-78.1-16.917159.3-102.5000113.9L19 R22 K23 V26 D110 F114 Y116L19-D112 HydrophobicContact CD1-CB 3.59Å; R22-D112 HydrophobicContact CB-CB 3.89Å; R22-D112 IonicContact CZ-OD1 3.74Å; R22-D112 IonicContact NH1-OD1 2.58Å; R22-D112 PolarHBondContact NH1-OD1 3.39Å; R22-D112 IonicContact NH1-OD2 3.86Å; K23-D112 HydrophobicContact CG-CB 4.36Å; V26-D112 WeakPolarHBondContact CG2-O 3.4Å; D110-D112 VanDerWaalsContact CB-OD1 3.31Å; D110-D112 WeakPolarHBondContact CB-OD1 3.5Å; D110-D112 PolarHBondContact O-N 2.77Å; D112-F114 VanDerWaalsContact OD2-CB 3.24Å; D112-F114 WeakPolarHBondContact OD2-CB 3.49Å; D112-F114 VanDerWaalsContact OD2-CD2 3.25Å; D112-F114 WeakPolarHBondContact OD2-CD2 3.48Å; D112-F114 PolarHBondContact OD2-N 2.99Å; D112-Y116 WeakPolarHBondContact OD1-CE2 3.44Å; D112-Y116 PolarHBondContact OD1-OH 2.69Å; D112-Y116 PolarHBondContact OD2-OH 3.19Å
113G96.2Very high92.8Very high8 Ų849.6 Ų49.68%0.08225%0.249CC..SBendtrans93.70.9178.600000115.8Y105 D110 A111Y105-G113 VanDerWaalsContact CE2-O 3.3Å; Y105-G113 WeakPolarHBondContact CE2-O 3.22Å; Y105-G113 VanDerWaalsContact CZ-O 3.32Å; Y105-G113 PolarHBondContact OH-O 2.99Å; D110-G113 WeakPolarHBondContact O-CA 3.49Å; D110-G113 PolarHBondContact O-N 3.1Å; A111-G113 VanDerWaalsContact C-N 3.34Å
114F97.6Very high91.6Very high7 Ų746.9 Ų46.93%0.03124%0.238CC..PPolyproline II helixtrans-81153.6163.1-73.4-85.7000110.9F13 R22 E25 V26 I29 P38 I40 D110 D112 Y116F13-F114 AromaticContact CE1-CD2 3.98Å; F13-F114 HydrophobicContact CE1-CD2 3.98Å; F13-F114 AromaticContact CE1-CE2 3.84Å; F13-F114 HydrophobicContact CE1-CE2 3.84Å; F13-F114 HydrophobicContact CE1-CZ 4.3Å; F13-F114 HydrophobicContact CZ-CE2 4.16Å; F13-F114 HydrophobicContact CZ-CZ 4.31Å; R22-F114 HydrophobicContact CB-CE2 4.34Å; E25-F114 HydrophobicContact CB-CE2 4.42Å; E25-F114 HydrophobicContact CB-CZ 4.32Å; V26-F114 HydrophobicContact CG2-CD1 4.29Å; V26-F114 HydrophobicContact CG2-CD2 3.32Å; V26-F114 HydrophobicContact CG2-CE1 4.26Å; V26-F114 HydrophobicContact CG2-CE2 3.3Å; V26-F114 HydrophobicContact CG2-CG 3.84Å; V26-F114 HydrophobicContact CG2-CZ 3.78Å; I29-F114 HydrophobicContact CD1-CE1 4.08Å; I29-F114 HydrophobicContact CD1-CZ 4.21Å; P38-F114 HydrophobicContact CB-CD1 3.28Å; P38-F114 HydrophobicContact CB-CE1 3.47Å; P38-F114 VanDerWaalsContact CB-CE1 3.47Å; P38-F114 HydrophobicContact CB-CG 4.13Å; P38-F114 HydrophobicContact CB-CZ 4.45Å; I40-F114 HydrophobicContact CD1-CD1 3.66Å; I40-F114 HydrophobicContact CD1-CE1 3.84Å; I40-F114 HydrophobicContact CD1-CG 4.22Å; I40-F114 HydrophobicContact CG1-CB 3.92Å; I40-F114 HydrophobicContact CG1-CD1 3.61Å; I40-F114 HydrophobicContact CG1-CE1 4.31Å; I40-F114 HydrophobicContact CG1-CG 3.82Å; D110-F114 PolarHBondContact N-O 3.21Å; D112-F114 VanDerWaalsContact OD2-CB 3.24Å; D112-F114 WeakPolarHBondContact OD2-CB 3.49Å; D112-F114 VanDerWaalsContact OD2-CD2 3.25Å; D112-F114 WeakPolarHBondContact OD2-CD2 3.48Å; D112-F114 PolarHBondContact OD2-N 2.99Å; F114-Y116 HydrophobicContact CB-CD2 4.29Å; F114-Y116 HydrophobicContact CB-CE2 3.7Å
115L96.8Very high90.1Very high0 Ų051.3 Ų51.30%026%0.257CS..EExtended strand (participates in β ladder)trans-94.4127.2161.5-179.667.9000109P38 V39 I40 V89 M101 I104 Y105 F108 I117P38-L115 PolarHBondContact O-N 3.17Å; V39-L115 CarbonylContact C-O 3.6Å; V39-L115 WeakPolarHBondContact CA-O 3.17Å; V39-L115 HydrophobicContact CG2-CB 4.36Å; V39-L115 HydrophobicContact CG2-CD2 4.33Å; I40-L115 PolarHBondContact N-O 3.49Å; V89-L115 HydrophobicContact CG1-CD1 3.67Å; V89-L115 HydrophobicContact CG1-CG 4.33Å; M101-L115 HydrophobicContact CE-CD2 3.96Å; I104-L115 HydrophobicContact CG2-CD1 4.25Å; I104-L115 HydrophobicContact CG2-CD2 3.89Å; Y105-L115 HydrophobicContact CD2-CB 3.77Å; Y105-L115 HydrophobicContact CE2-CB 4.33Å; F108-L115 HydrophobicContact CB-CD1 3.88Å; L115-I117 HydrophobicContact CD2-CD1 4.05Å; L115-I117 HydrophobicContact CD2-CG1 4.35Å; L115-I117 HydrophobicContact CG-CD1 4.45Å; L115-I117 HydrophobicContact CG-CG1 4.22Å
116Y95.7Very high88.2Confident26 Ų2652.5 Ų52.510%0.10227%0.273CS..EExtended strand (participates in β ladder)trans-101124.7179.3-69.1-95.9000109.9F13 K14 R22 I40 A90 D110 D112 F114F13-Y116 HydrophobicContact CB-CE1 4.4Å; F13-Y116 AromaticContact CD1-CE1 3.93Å; F13-Y116 HydrophobicContact CD1-CE1 3.93Å; F13-Y116 WeakPolarHBondContact CD1-OH 3.4Å; K14-Y116 HydrophobicContact CD-CE1 4.3Å; K14-Y116 VanDerWaalsContact CE-CZ 3.4Å; K14-Y116 HydrophobicContact CG-CE1 3.63Å; K14-Y116 WeakPolarHBondContact CG-OH 3.46Å; R22-Y116 PolarHBondContact NH1-OH 3.31Å; I40-Y116 HydrophobicContact CB-CD1 3.83Å; I40-Y116 HydrophobicContact CB-CE1 3.97Å; I40-Y116 HydrophobicContact CB-CG 4.47Å; I40-Y116 HydrophobicContact CG1-CD1 4.28Å; I40-Y116 HydrophobicContact CG1-CE1 3.95Å; I40-Y116 HydrophobicContact CG2-CD1 3.95Å; I40-Y116 HydrophobicContact CG2-CE1 4.02Å; A90-Y116 PolarHBondContact N-O 3.04Å; D110-Y116 HydrophobicContact CB-CD2 3.76Å; D110-Y116 HydrophobicContact CB-CE2 3.62Å; D112-Y116 WeakPolarHBondContact OD1-CE2 3.44Å; D112-Y116 PolarHBondContact OD1-OH 2.69Å; D112-Y116 PolarHBondContact OD2-OH 3.19Å; F114-Y116 HydrophobicContact CB-CD2 4.29Å; F114-Y116 HydrophobicContact CB-CE2 3.7Å
117I95.1Very high85.5Confident2 Ų252.1 Ų52.11%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-125134.6177.1-59.3-175.1000107.7V39 I40 V41 E42 F69 L87 L88 V89 M101 L115V39-I117 HydrophobicContact CG1-CD1 3.74Å; V39-I117 HydrophobicContact CG1-CG1 4Å; I40-I117 PolarHBondContact O-N 3.31Å; V41-I117 VanDerWaalsContact CA-O 3.26Å; V41-I117 WeakPolarHBondContact CA-O 3.43Å; V41-I117 HydrophobicContact CG2-CB 4.42Å; E42-I117 PolarHBondContact N-O 3.31Å; F69-I117 HydrophobicContact CD1-CD1 4.24Å; F69-I117 HydrophobicContact CE1-CD1 3.88Å; L87-I117 HydrophobicContact CB-CG2 4.01Å; L87-I117 HydrophobicContact CD1-CG2 4.45Å; L87-I117 HydrophobicContact CD2-CG2 3.97Å; L87-I117 HydrophobicContact CG-CG2 4.34Å; L88-I117 CarbonylContact O-C 3.44Å; L88-I117 VanDerWaalsContact O-CA 3.22Å; L88-I117 WeakPolarHBondContact O-CA 3.08Å; V89-I117 HydrophobicContact CG1-CG1 4.46Å; V89-I117 HydrophobicContact CG2-CD1 4.23Å; V89-I117 HydrophobicContact CG2-CG1 4.17Å; M101-I117 HydrophobicContact CE-CD1 3.94Å; L115-I117 HydrophobicContact CD2-CD1 4.05Å; L115-I117 HydrophobicContact CD2-CG1 4.35Å; L115-I117 HydrophobicContact CG-CD1 4.45Å; L115-I117 HydrophobicContact CG-CG1 4.22Å
118T93.3Very high83Confident27 Ų2748.3 Ų48.317%0.16628%0.275CS..EExtended strand (participates in β ladder)trans-112147.6168.953.80000110.8E42 L87 L88E42-T118 CarbonylContact O-C 3.52Å; E42-T118 WeakPolarHBondContact O-CA 3.33Å; L87-T118 CarbonylContact C-O 3.55Å; L87-T118 WeakPolarHBondContact CA-O 3.44Å; L88-T118 WeakPolarHBondContact CB-OG1 3.1Å; L88-T118 PolarHBondContact N-O 2.96Å; L88-T118 PolarHBondContact O-N 3.23Å
119Y91.9Very high80.5Confident1 Ų157.5 Ų57.50%0.00431%0.308CS..EExtended strand (participates in β ladder)trans-116.2145.8175.571.5-88.8000112.1V41 E42 R43 Y44 L50 P51 L52 L53 I77 L85 F86V41-Y119 HydrophobicContact CG1-CD1 3.84Å; V41-Y119 HydrophobicContact CG1-CE1 4.43Å; E42-Y119 VanDerWaalsContact C-CE1 3.48Å; E42-Y119 WeakPolarHBondContact O-CD1 3.06Å; E42-Y119 PolarHBondContact O-N 2.66Å; R43-Y119 VanDerWaalsContact CA-CE1 3.48Å; R43-Y119 HydrophobicContact CB-CE1 3.85Å; R43-Y119 HydrophobicContact CB-CE2 4.08Å; R43-Y119 HydrophobicContact CG-CD2 4.36Å; R43-Y119 HydrophobicContact CG-CE1 4.39Å; R43-Y119 HydrophobicContact CG-CE2 3.73Å; R43-Y119 VanDerWaalsContact N-CE1 3.34Å; Y44-Y119 WeakPolarHBondContact CB-O 3.41Å; Y44-Y119 PolarHBondContact N-O 3Å; L50-Y119 HydrophobicContact CB-CE2 4.17Å; L50-Y119 HydrophobicContact CD1-CD2 4.02Å; L50-Y119 HydrophobicContact CD1-CE2 4.4Å; P51-Y119 PolarHBondContact O-OH 3.18Å; L52-Y119 WeakPolarHBondContact CA-OH 3.25Å; L53-Y119 HydrophobicContact CD1-CD1 4.13Å; L53-Y119 HydrophobicContact CD1-CE1 3.61Å; L53-Y119 HydrophobicContact CG-CE1 3.91Å; L53-Y119 PolarHBondContact N-OH 2.62Å; I77-Y119 HydrophobicContact CD1-CD1 4.26Å; I77-Y119 HydrophobicContact CD1-CD2 3.55Å; I77-Y119 HydrophobicContact CD1-CE1 4.32Å; I77-Y119 HydrophobicContact CD1-CE2 3.61Å; I77-Y119 HydrophobicContact CD1-CG 3.87Å; I77-Y119 HydrophobicContact CG1-CE2 4.38Å; L85-Y119 HydrophobicContact CD1-CD2 3.7Å; L85-Y119 HydrophobicContact CD1-CG 4.14Å; F86-Y119 WeakPolarHBondContact O-CA 3.43Å
120A90.3Very high77.9Confident1 Ų156.3 Ų56.31%0.00832%0.32CS..EExtended strand (participates in β ladder)trans-150.9160.2-178.100000111.2Y44 F86 L88 A124Y44-A120 HydrophobicContact CD1-CB 4.34Å; Y44-A120 HydrophobicContact CG-CB 4.42Å; F86-A120 PolarHBondContact N-O 2.84Å; F86-A120 PolarHBondContact O-N 3Å; L88-A120 HydrophobicContact CD1-CB 4.39Å; A120-A124 HydrophobicContact CB-CB 4.21Å
121S87.3Confident75.6Confident6 Ų658.7 Ų58.74%0.04235%0.347CS..EExtended strand (participates in β ladder)trans-77.3163.5166.664.70000110.5E47 T84 E123 A124 F125E47-S121 WeakPolarHBondContact OE2-CA 3.46Å; E47-S121 WeakPolarHBondContact OE2-CB 3.2Å; E47-S121 PolarHBondContact OE2-N 2.89Å; E47-S121 PolarHBondContact OE2-OG 2.71Å; T84-S121 WeakPolarHBondContact O-CA 3.46Å; S121-E123 PolarHBondContact O-N 2.91Å; S121-A124 PolarHBondContact O-N 3.24Å; S121-A124 PolarHBondContact OG-N 3.4Å; S121-F125 PolarHBondContact O-N 3.14Å; S121-F125 VanDerWaalsContact O-N 3.17Å
122Q78.9Confident73.3Confident116 Ų11661.4 Ų61.454%0.54235%0.351SS..Hα-helixtrans-55.6-40.2173.6-163.1170.8-69.300112.2F86 A124 F125 G126F86-Q122 HydrophobicContact CD2-CB 4.38Å; F86-Q122 HydrophobicContact CE2-CB 3.61Å; F86-Q122 HydrophobicContact CE2-CG 3.89Å; F86-Q122 HydrophobicContact CZ-CB 4.4Å; F86-Q122 HydrophobicContact CZ-CG 4.2Å; Q122-A124 PolarHBondContact O-N 3.35Å; Q122-F125 WeakPolarHBondContact O-CB 3.26Å; Q122-F125 PolarHBondContact O-N 2.88Å; Q122-G126 PolarHBondContact O-N 2.69Å
123E70.9Confident70.7Confident153 Ų15370.1 Ų70.172%0.71539%0.392SS*.Hα-helixtrans-68-37.6-175.6-62.1169.9102.900111.3S121 F125 G126S121-E123 PolarHBondContact O-N 2.91Å; E123-F125 VanDerWaalsContact C-N 3.31Å; E123-G126 PolarHBondContact O-N 3.02Å
124A70.2Confident68.5Low25 Ų2573.8 Ų73.821%0.20741%0.414CS..Hα-helixtrans-74.2-22.2175.700000113.5E47 A120 S121 Q122E47-A124 HydrophobicContact CB-CB 4.22Å; E47-A124 WeakPolarHBondContact OE2-CB 3.47Å; A120-A124 HydrophobicContact CB-CB 4.21Å; S121-A124 PolarHBondContact O-N 3.24Å; S121-A124 PolarHBondContact OG-N 3.4Å; Q122-A124 PolarHBondContact O-N 3.35Å
125F64.1Low66.8Low98 Ų9879.1 Ų79.143%0.4345%0.449SS..Hα-helixtrans-75.1-16.3174.1-164.3-101.6000112.4L88 S121 Q122 E123L88-F125 HydrophobicContact CD2-CE2 4.18Å; L88-F125 HydrophobicContact CG-CE2 4.37Å; S121-F125 PolarHBondContact O-N 3.14Å; S121-F125 VanDerWaalsContact O-N 3.17Å; Q122-F125 WeakPolarHBondContact O-CB 3.26Å; Q122-F125 PolarHBondContact O-N 2.88Å; E123-F125 VanDerWaalsContact C-N 3.31Å
126G55.5Low64.5Low38 Ų3891.5 Ų91.539%0.39251%0.507SS..  trans91.1135.9-176.800000110.7Q122 E123Q122-G126 PolarHBondContact O-N 2.69Å; E123-G126 PolarHBondContact O-N 3.02Å
127A39.4Very low63Low84 Ų8494.8 Ų94.869%0.69453%0.527SS*.  trans-44144.3163.700000109.2R129A127-R129 PolarHBondContact O-N 3.31Å
128P40.4Very low61.3Low107 Ų10799.7 Ų99.770%0.69555%0.554SS**  trans-48.5127.6164.124.6-32.1000105.5S130P128-S130 PolarHBondContact O-N 3.39Å
129R43Very low59.5Low245 Ų245103.7 Ų103.793%0.92558%0.576SS**  trans-55.5100166.5-74-177.6171.7166.4-3.7104.2A127 A131A127-R129 PolarHBondContact O-N 3.31Å; R129-A131 VanDerWaalsContact C-N 3.32Å; R129-A131 PolarHBondContact O-N 3.09Å
130S39.9Very low57.6Low103 Ų103109.8 Ų109.872%0.7261%0.609SS**  trans-54.2110.1169-60.70000103.8P128 D132P128-S130 PolarHBondContact O-N 3.39Å; S130-D132 PolarHBondContact O-N 2.82Å
131A49.2Very low55.5Low107 Ų107116.6 Ų116.688%0.88465%0.647SS**  trans-68.875.1166.900000106.2R129R129-A131 VanDerWaalsContact C-N 3.32Å; R129-A131 PolarHBondContact O-N 3.09Å
132D47Very low53.4Low131 Ų131123.9 Ų123.970%0.70169%0.687SS**  trans-146.372168.3-151.8-97.7000106.7S130 P134S130-D132 PolarHBondContact O-N 2.82Å; D132-P134 WeakPolarHBondContact O-CD 3.38Å
133E41.6Very low51.6Low188 Ų188124.5 Ų124.588%0.87970%0.698SS**  trans-89.1105.5152.8-175.7176.996.500105.2
134P51.1Low50.1Low85 Ų85122.3 Ų122.355%0.55270%0.696SS**  trans-72.4137.7169.928.5-30.5000108.5D132 H136D132-P134 WeakPolarHBondContact O-CD 3.38Å; P134-H136 PolarHBondContact O-N 3.39Å
135P61.4Low48.5Very low118 Ų118130.4 Ų130.477%0.76674%0.737SS**  trans-73.5123.7173.230.2-30.5000108.9
136H48.9Very low47Very low261 Ų261133.4 Ų133.4100%1.20877%0.765SS**  trans-143.70154.6-93.5-63.3000110.6P134P134-H136 PolarHBondContact O-N 3.39Å

Retrieved 136 of 136 residues in 80.8 ms (Link to these results)