A0A5K4FAR3_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A5K4FAR3, 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
1M36.8Very low69.3Low246 Ų246118.5 Ų118.5100%1.21264%0.641SS**  0970-64.7179.2178.400107G3M1-G3 PolarHBondContact O-N 3.38Å
2S40.9Very low71.6Confident104 Ų104114 Ų11473%0.72763%0.625SS**  trans-75.280177.548.80000108.9H4S2-H4 PolarHBondContact O-N 3.08Å; S2-H4 PolarHBondContact O-ND1 2.73Å
3G43.3Very low73.7Confident73 Ų73108.8 Ų108.875%0.75360%0.599SS**  trans-66.480.6173.700000110M1 Q5M1-G3 PolarHBondContact O-N 3.38Å; G3-Q5 PolarHBondContact O-N 2.6Å; G3-Q5 VanDerWaalsContact O-N 3.16Å
4H48.9Very low75.4Confident152 Ų152104.6 Ų104.670%0.70458%0.576SS**  trans-69.1107.8160.3-71.769.1000105.2S2 E6S2-H4 PolarHBondContact O-N 3.08Å; S2-H4 PolarHBondContact O-ND1 2.73Å; H4-E6 HydrophobicContact CB-CG 4.45Å; H4-E6 PolarHBondContact O-N 3.38Å
5Q52.6Low76.9Confident195 Ų19598 Ų9891%0.91154%0.539SS*.  trans-61.788.8158.2-81.4179.2-33.700105.9G3 S7G3-Q5 PolarHBondContact O-N 2.6Å; G3-Q5 VanDerWaalsContact O-N 3.16Å; Q5-S7 PolarHBondContact O-N 2.9Å
6E68Low78.2Confident104 Ų10496.1 Ų96.149%0.48653%0.532SS..  trans-66.7106.2173.3-85.7-175.3150.400107.6H4 L80 Y81H4-E6 HydrophobicContact CB-CG 4.45Å; H4-E6 PolarHBondContact O-N 3.38Å; E6-L80 WeakPolarHBondContact O-CD1 3.45Å; E6-Y81 HydrophobicContact CB-CD1 4.22Å; E6-Y81 HydrophobicContact CB-CE1 4.36Å; E6-Y81 VanDerWaalsContact OE2-CA 3.3Å; E6-Y81 WeakPolarHBondContact OE2-CA 3.49Å; E6-Y81 WeakPolarHBondContact OE2-CD1 3.42Å
7S86Confident79.3Confident94 Ų9499.8 Ų99.866%0.65755%0.545SS*.  trans-69.4139.5172.7570000109.7Q5 K9Q5-S7 PolarHBondContact O-N 2.9Å; S7-K9 PolarHBondContact O-N 3.44Å
8A95.1Very high80.3Confident24 Ų2499.1 Ų99.120%0.19855%0.548CS..  trans-60.1136.3173.600000110.3I10 V24 F78 H79 L80A8-I10 HydrophobicContact CB-CD1 4.47Å; A8-V24 HydrophobicContact CB-CB 4.15Å; A8-V24 HydrophobicContact CB-CG1 3.52Å; A8-V24 HydrophobicContact CB-CG2 3.46Å; A8-V24 VanDerWaalsContact CB-CG2 3.46Å; A8-F78 HydrophobicContact CB-CD2 4.09Å; A8-H79 CarbonylContact C-O 3.54Å; A8-H79 WeakPolarHBondContact CA-O 3.3Å; A8-L80 HydrophobicContact CB-CD1 4.14Å
9K96.5Very high81.3Confident133 Ų13394.8 Ų94.858%0.57852%0.524SS*.EExtended strand (participates in β ladder)trans-103.896.7175-66.8178.5-175.9171.60108.7S7 K11 F78 H79S7-K9 PolarHBondContact O-N 3.44Å; K9-K11 PolarHBondContact O-N 2.99Å; K9-F78 WeakPolarHBondContact O-CA 3.35Å; K9-H79 HydrophobicContact CB-CB 4.49Å; K9-H79 PolarHBondContact N-O 3.29Å; K9-H79 PolarHBondContact O-N 2.98Å
10I97.3Very high82.1Confident63 Ų6391.9 Ų91.932%0.32351%0.506SS..EExtended strand (participates in β ladder)trans-64.9128173.7-48.3-51.5000108.9A8 T13 V24 I76 F78A8-I10 HydrophobicContact CB-CD1 4.47Å; I10-T13 HydrophobicContact CG2-CG2 3.76Å; I10-V24 HydrophobicContact CD1-CG2 3.98Å; I10-I76 HydrophobicContact CD1-CD1 3.84Å; I10-I76 HydrophobicContact CD1-CG1 4.46Å; I10-I76 HydrophobicContact CG2-CG1 4.31Å; I10-F78 HydrophobicContact CD1-CB 3.53Å; I10-F78 HydrophobicContact CD1-CG 4.05Å
11K96.4Very high82.9Confident116 Ų11691.1 Ų91.150%0.50451%0.506SS..EExtended strand (participates in β ladder)trans-105.9-38.2-177.7-64.5-56.6-175.3179.90112.2K9 Y77K9-K11 PolarHBondContact O-N 2.99Å; K11-Y77 HydrophobicContact CB-CD1 3.38Å; K11-Y77 HydrophobicContact CB-CE1 3.65Å; K11-Y77 HydrophobicContact CB-CG 4.26Å; K11-Y77 WeakPolarHBondContact CB-O 3.49Å; K11-Y77 HydrophobicContact CG-CD1 4.08Å; K11-Y77 HydrophobicContact CG-CE1 3.89Å; K11-Y77 PolarHBondContact N-O 2.91Å
12S97.6Very high85.8Confident64 Ų6480.9 Ų80.945%0.44846%0.457SS..EExtended strand (participates in β ladder)trans-157.7141.4175.3-1730000108.7Y77S12-Y77 PolarHBondContact N-O 3.27Å; S12-Y77 PolarHBondContact O-N 3.47Å
13T98.3Very high88.5Confident47 Ų4776 Ų7629%0.28842%0.422SS..EExtended strand (participates in β ladder)trans-163.1147.2-178.7-171.40000109.9I10 M15 Q20 F75I10-T13 HydrophobicContact CG2-CG2 3.76Å; T13-M15 PolarHBondContact OG1-N 2.83Å; T13-Q20 HydrophobicContact CG2-CG 4.47Å; T13-F75 VanDerWaalsContact CA-O 3.28Å; T13-F75 WeakPolarHBondContact CA-O 3.26Å; T13-F75 PolarHBondContact OG1-O 3.38Å; T13-F75 VanDerWaalsContact OG1-O 3.07Å
14D98Very high91.1Very high50 Ų5073.7 Ų73.727%0.26739%0.394SS..  trans-117.5-4.2160.967.14.5000111.9H70 N73 S74 F75D14-H70 IonicContact OD2-CD2 3.38Å; D14-H70 PolarHBondContact OD2-CD2 2.95Å; D14-H70 IonicContact OD2-NE2 2.83Å; D14-H70 PolarHBondContact OD2-NE2 3.31Å; D14-N73 WeakPolarHBondContact O-CA 3.3Å; D14-N73 PolarHBondContact O-OD1 2.86Å; D14-N73 VanDerWaalsContact OD1-C 3.32Å; D14-N73 WeakPolarHBondContact OD1-CA 3.27Å; D14-N73 PolarHBondContact OD2-N 2.69Å; D14-S74 PolarHBondContact OD1-N 3.45Å; D14-F75 PolarHBondContact N-O 3.36Å; D14-F75 WeakPolarHBondContact OD1-CA 3.25Å; D14-F75 WeakPolarHBondContact OD1-CB 3.39Å; D14-F75 PolarHBondContact OD1-N 3.45Å
15M97.5Very high93.5Very high5 Ų571.6 Ų71.63%0.02539%0.388CS..SBendtrans-61.4144.9173.7-70.6-178.8-173.800112.2T13 M19 Q20 F48 W56 S74 F75 I76 L87T13-M15 PolarHBondContact OG1-N 2.83Å; M15-M19 HydrophobicContact CB-CB 4.26Å; M15-M19 HydrophobicContact CB-CG 4.4Å; M15-M19 HydrophobicContact CE-CE 4.25Å; M15-M19 HydrophobicContact CG-CG 4.28Å; M15-M19 HydrophobicContact CG-SD 4.19Å; M15-M19 HydrophobicContact SD-CE 4.31Å; M15-M19 HydrophobicContact SD-CG 3.83Å; M15-M19 HydrophobicContact SD-SD 4.28Å; M15-Q20 HydrophobicContact CB-CG 3.96Å; M15-Q20 PolarHBondContact O-NE2 3.24Å; M15-F48 HydrophobicContact CE-CE1 4.29Å; M15-F48 HydrophobicContact SD-CE1 4.49Å; M15-W56 HydrophobicContact CE-CH2 3.81Å; M15-W56 HydrophobicContact CE-CZ3 3.43Å; M15-W56 VanDerWaalsContact CE-CZ3 3.43Å; M15-S74 WeakPolarHBondContact CE-O 3.43Å; M15-F75 WeakPolarHBondContact CG-O 3.31Å; M15-F75 PolarHBondContact N-O 2.95Å; M15-I76 HydrophobicContact CE-CB 4.07Å; M15-I76 HydrophobicContact CE-CG2 3.66Å; M15-I76 HydrophobicContact CG-CB 4.45Å; M15-I76 HydrophobicContact SD-CB 3.74Å; M15-I76 HydrophobicContact SD-CG2 3.66Å; M15-L87 HydrophobicContact CE-CD2 4.31Å; M15-L87 HydrophobicContact CE-CG 4.25Å
16P97.8Very high95.6Very high67 Ų6763.1 Ų63.144%0.43535%0.349SS..  trans-59150.2167.2-21.832.9000112.1S18 M19 Q20P16-S18 PolarHBondContact O-N 3.17Å; P16-S18 VanDerWaalsContact O-N 3.14Å; P16-M19 WeakPolarHBondContact O-CA 3.4Å; P16-M19 WeakPolarHBondContact O-CB 3.43Å; P16-M19 PolarHBondContact O-N 2.99Å; P16-Q20 PolarHBondContact O-N 3Å
17E97.7Very high97Very high160 Ų16058.1 Ų58.175%0.74833%0.326SS*.Hα-helixtrans-52.9-39.9-176.6-67.8-175.7170.800113.4M19 Q20 C21E17-M19 VanDerWaalsContact C-N 3.27Å; E17-M19 PolarHBondContact O-N 3.07Å; E17-Q20 WeakPolarHBondContact O-CB 3.31Å; E17-Q20 PolarHBondContact O-N 2.91Å; E17-C21 PolarHBondContact O-N 3.23Å; E17-C21 PolarHBondContact O-SG 3.4Å; E17-C21 VanDerWaalsContact O-SG 3.36Å
18S96.9Very high97.6Very high86 Ų8654.7 Ų54.760%0.60130%0.304SS*.Hα-helixtrans-60.5-36.6177.858.10000112.8P16 I22P16-S18 PolarHBondContact O-N 3.17Å; P16-S18 VanDerWaalsContact O-N 3.14Å; S18-I22 VanDerWaalsContact O-CD1 3.26Å; S18-I22 WeakPolarHBondContact O-CD1 3.35Å; S18-I22 WeakPolarHBondContact O-CG1 3.42Å; S18-I22 PolarHBondContact O-N 2.8Å
19M98.2Very high97.7Very high19 Ų1955 Ų559%0.09431%0.306CS..Hα-helixtrans-78.3-32.1178.4-169.2167.7-178.900111.8M15 P16 E17 I22 A23 F48 Y52 W56M15-M19 HydrophobicContact CB-CB 4.26Å; M15-M19 HydrophobicContact CB-CG 4.4Å; M15-M19 HydrophobicContact CE-CE 4.25Å; M15-M19 HydrophobicContact CG-CG 4.28Å; M15-M19 HydrophobicContact CG-SD 4.19Å; M15-M19 HydrophobicContact SD-CE 4.31Å; M15-M19 HydrophobicContact SD-CG 3.83Å; M15-M19 HydrophobicContact SD-SD 4.28Å; P16-M19 WeakPolarHBondContact O-CA 3.4Å; P16-M19 WeakPolarHBondContact O-CB 3.43Å; P16-M19 PolarHBondContact O-N 2.99Å; E17-M19 VanDerWaalsContact C-N 3.27Å; E17-M19 PolarHBondContact O-N 3.07Å; M19-I22 PolarHBondContact O-N 2.82Å; M19-A23 PolarHBondContact O-N 2.79Å; M19-F48 HydrophobicContact CE-CD1 3.81Å; M19-F48 HydrophobicContact CE-CE1 3.56Å; M19-F48 HydrophobicContact CG-CE1 4.04Å; M19-Y52 HydrophobicContact CE-CD1 4.1Å; M19-Y52 HydrophobicContact CE-CD2 3.69Å; M19-Y52 HydrophobicContact CE-CE1 4.13Å; M19-Y52 HydrophobicContact CE-CE2 3.73Å; M19-Y52 HydrophobicContact CE-CG 3.86Å; M19-Y52 HydrophobicContact CG-CE1 4.45Å; M19-Y52 HydrophobicContact CG-CE2 4.25Å; M19-Y52 HydrophobicContact SD-CE1 4.17Å; M19-Y52 HydrophobicContact SD-CE2 4.49Å; M19-W56 HydrophobicContact CE-CH2 3.14Å; M19-W56 HydrophobicContact CE-CZ2 3.43Å; M19-W56 VanDerWaalsContact CE-CZ2 3.43Å; M19-W56 HydrophobicContact CE-CZ3 4.14Å
20Q98.5Very high97.7Very high36 Ų3648.7 Ų48.717%0.16828%0.279CS..Hα-helixtrans-62.1-45.2171.1-60.3176.541.300111.4T13 M15 P16 E17 I22 A23 V24 I76T13-Q20 HydrophobicContact CG2-CG 4.47Å; M15-Q20 HydrophobicContact CB-CG 3.96Å; M15-Q20 PolarHBondContact O-NE2 3.24Å; P16-Q20 PolarHBondContact O-N 3Å; E17-Q20 WeakPolarHBondContact O-CB 3.31Å; E17-Q20 PolarHBondContact O-N 2.91Å; Q20-I22 VanDerWaalsContact C-N 3.28Å; Q20-I22 PolarHBondContact O-N 3.04Å; Q20-A23 WeakPolarHBondContact O-CB 3.28Å; Q20-A23 PolarHBondContact O-N 2.9Å; Q20-A23 VanDerWaalsContact O-N 3.15Å; Q20-V24 WeakPolarHBondContact O-CG2 3.43Å; Q20-V24 PolarHBondContact O-N 2.76Å; Q20-I76 HydrophobicContact CB-CD1 3.78Å; Q20-I76 HydrophobicContact CG-CD1 3.72Å
21C97.6Very high97.7Very high75 Ų7546.5 Ų46.551%0.50727%0.269SS..Hα-helixtrans-56.4-45.4175.2-66.70000111.2E17 A23 V24 D25E17-C21 PolarHBondContact O-N 3.23Å; E17-C21 PolarHBondContact O-SG 3.4Å; E17-C21 VanDerWaalsContact O-SG 3.36Å; C21-A23 VanDerWaalsContact C-N 3.35Å; C21-A23 PolarHBondContact O-N 2.98Å; C21-V24 PolarHBondContact O-N 3.41Å; C21-D25 WeakPolarHBondContact O-CB 3.42Å; C21-D25 VanDerWaalsContact O-CG 3.25Å; C21-D25 PolarHBondContact O-N 2.88Å
22I98.1Very high97.6Very high32 Ų3247.9 Ų47.916%0.16428%0.277CS..Hα-helixtrans-63.8-39.4178.2-66.8158.3000111.7S18 M19 Q20 C26 F48 R51 Y52S18-I22 VanDerWaalsContact O-CD1 3.26Å; S18-I22 WeakPolarHBondContact O-CD1 3.35Å; S18-I22 WeakPolarHBondContact O-CG1 3.42Å; S18-I22 PolarHBondContact O-N 2.8Å; M19-I22 PolarHBondContact O-N 2.82Å; Q20-I22 VanDerWaalsContact C-N 3.28Å; Q20-I22 PolarHBondContact O-N 3.04Å; I22-C26 WeakPolarHBondContact O-CB 3.47Å; I22-C26 PolarHBondContact O-N 3.46Å; I22-F48 HydrophobicContact CG2-CE2 4.07Å; I22-F48 HydrophobicContact CG2-CZ 4.02Å; I22-R51 VanDerWaalsContact CG2-NH1 3.31Å; I22-Y52 WeakPolarHBondContact CD1-OH 3.44Å
23A98.6Very high97.6Very high0 Ų052.2 Ų52.20%028%0.283CS..Hα-helixtrans-62.7-43.8176.600000111.6M19 Q20 C21 C27 F48 I76 F78 L87M19-A23 PolarHBondContact O-N 2.79Å; Q20-A23 WeakPolarHBondContact O-CB 3.28Å; Q20-A23 PolarHBondContact O-N 2.9Å; Q20-A23 VanDerWaalsContact O-N 3.15Å; C21-A23 VanDerWaalsContact C-N 3.35Å; C21-A23 PolarHBondContact O-N 2.98Å; A23-C27 WeakPolarHBondContact O-CB 3.5Å; A23-C27 PolarHBondContact O-N 2.82Å; A23-F48 HydrophobicContact CB-CE2 4.24Å; A23-F48 HydrophobicContact CB-CZ 3.67Å; A23-I76 HydrophobicContact CB-CD1 4.25Å; A23-I76 HydrophobicContact CB-CG2 4.09Å; A23-F78 HydrophobicContact CB-CE1 4.35Å; A23-L87 HydrophobicContact CB-CD2 4.01Å
24V98.3Very high97.6Very high26 Ų2652.7 Ų52.716%0.15828%0.282CS..Hα-helixtrans-65.9-48178.1170.60000111.2A8 I10 Q20 C21 C26 C27 A28 F78A8-V24 HydrophobicContact CB-CB 4.15Å; A8-V24 HydrophobicContact CB-CG1 3.52Å; A8-V24 HydrophobicContact CB-CG2 3.46Å; A8-V24 VanDerWaalsContact CB-CG2 3.46Å; I10-V24 HydrophobicContact CD1-CG2 3.98Å; Q20-V24 WeakPolarHBondContact O-CG2 3.43Å; Q20-V24 PolarHBondContact O-N 2.76Å; C21-V24 PolarHBondContact O-N 3.41Å; V24-C26 VanDerWaalsContact C-N 3.34Å; V24-C26 PolarHBondContact O-N 3.06Å; V24-C27 PolarHBondContact O-N 3.32Å; V24-A28 PolarHBondContact O-N 3.31Å; V24-F78 HydrophobicContact CG2-CD2 4.29Å; V24-F78 HydrophobicContact CG2-CE2 4.18Å; V24-F78 HydrophobicContact CG2-CZ 4.47Å
25D97.5Very high97.4Very high108 Ų10858.9 Ų58.958%0.57831%0.306SS*.Hα-helixtrans-62.5-42.2179.3-70.2-17.5000111.4C21 C27 A28 A29C21-D25 WeakPolarHBondContact O-CB 3.42Å; C21-D25 VanDerWaalsContact O-CG 3.25Å; C21-D25 PolarHBondContact O-N 2.88Å; D25-C27 VanDerWaalsContact C-N 3.33Å; D25-C27 PolarHBondContact O-N 3Å; D25-A28 PolarHBondContact O-N 3.14Å; D25-A29 WeakPolarHBondContact O-CB 3.49Å; D25-A29 PolarHBondContact O-N 3.19Å
26C97.9Very high97.4Very high16 Ų1662.4 Ų62.411%0.10833%0.325CS..Hα-helixtrans-62-42.4176.1-169.40000111.3I22 V24 A30 F48I22-C26 WeakPolarHBondContact O-CB 3.47Å; I22-C26 PolarHBondContact O-N 3.46Å; V24-C26 VanDerWaalsContact C-N 3.34Å; V24-C26 PolarHBondContact O-N 3.06Å; C26-A30 WeakPolarHBondContact O-CB 3.46Å; C26-A30 PolarHBondContact O-N 2.94Å; C26-F48 HydrophobicContact CB-CE2 4.37Å
27C98.2Very high97.4Very high0 Ų062 Ų620%032%0.319CS..Hα-helixtrans-66.2-40.8175.8-1750000112.7A23 V24 D25 A30 C31 I44 F78 L80A23-C27 WeakPolarHBondContact O-CB 3.5Å; A23-C27 PolarHBondContact O-N 2.82Å; V24-C27 PolarHBondContact O-N 3.32Å; D25-C27 VanDerWaalsContact C-N 3.33Å; D25-C27 PolarHBondContact O-N 3Å; C27-A30 WeakPolarHBondContact O-CB 3.32Å; C27-A30 PolarHBondContact O-N 3.36Å; C27-C31 WeakPolarHBondContact O-CB 3.48Å; C27-C31 PolarHBondContact O-N 2.83Å; C27-C31 PolarHBondContact O-SG 3.15Å; C27-I44 HydrophobicContact CB-CD1 3.79Å; C27-I44 HydrophobicContact CB-CG1 4.47Å; C27-F78 HydrophobicContact CB-CE2 4Å; C27-F78 HydrophobicContact CB-CZ 3.74Å; C27-L80 HydrophobicContact CB-CD2 4.01Å
28A97.2Very high97.4Very high22 Ų2263.1 Ų63.118%0.18232%0.317CS..Hα-helixtrans-59.8-49.6176.500000110.7V24 D25 A30 C31 E32 L80V24-A28 PolarHBondContact O-N 3.31Å; D25-A28 PolarHBondContact O-N 3.14Å; A28-A30 VanDerWaalsContact C-N 3.3Å; A28-A30 PolarHBondContact O-N 2.84Å; A28-C31 PolarHBondContact O-N 2.63Å; A28-E32 WeakPolarHBondContact O-CG 3.17Å; A28-E32 PolarHBondContact O-N 2.83Å; A28-E32 VanDerWaalsContact O-N 3.13Å; A28-L80 HydrophobicContact CB-CD2 4.06Å
29A97.1Very high97.5Very high31 Ų3161.9 Ų61.926%0.25630%0.303SS..Hα-helixtrans-60.6-38176.200000112.6D25 E32 R33D25-A29 WeakPolarHBondContact O-CB 3.49Å; D25-A29 PolarHBondContact O-N 3.19Å; A29-E32 PolarHBondContact O-N 2.92Å; A29-R33 WeakPolarHBondContact O-CD 3.16Å; A29-R33 VanDerWaalsContact O-CG 3.27Å; A29-R33 WeakPolarHBondContact O-CG 3.07Å; A29-R33 PolarHBondContact O-N 3.36Å
30A98Very high97.5Very high0 Ų061.1 Ų61.10%030%0.3CS..Hα-helixtrans-64.2-45.1176.300000112C26 C27 A28 E32 R33 F34 I40 Y43 I44C26-A30 WeakPolarHBondContact O-CB 3.46Å; C26-A30 PolarHBondContact O-N 2.94Å; C27-A30 WeakPolarHBondContact O-CB 3.32Å; C27-A30 PolarHBondContact O-N 3.36Å; A28-A30 VanDerWaalsContact C-N 3.3Å; A28-A30 PolarHBondContact O-N 2.84Å; A30-E32 VanDerWaalsContact C-N 3.27Å; A30-E32 PolarHBondContact O-N 2.98Å; A30-R33 PolarHBondContact O-N 2.87Å; A30-R33 VanDerWaalsContact O-N 3.14Å; A30-F34 WeakPolarHBondContact O-CD2 3.17Å; A30-F34 PolarHBondContact O-N 3.06Å; A30-I40 HydrophobicContact CB-CB 4.38Å; A30-I40 HydrophobicContact CB-CG2 3.75Å; A30-Y43 HydrophobicContact CB-CD1 3.58Å; A30-Y43 HydrophobicContact CB-CE1 4.25Å; A30-Y43 HydrophobicContact CB-CG 4.2Å; A30-I44 HydrophobicContact CB-CD1 4.41Å; A30-I44 HydrophobicContact CB-CG1 4.06Å
31C95.8Very high97.5Very high17 Ų1760 Ų6012%0.11530%0.296CS..Hα-helixtrans-65.6-26.8178.7-71.60000113.5C27 A28 Y81C27-C31 WeakPolarHBondContact O-CB 3.48Å; C27-C31 PolarHBondContact O-N 2.83Å; C27-C31 PolarHBondContact O-SG 3.15Å; A28-C31 PolarHBondContact O-N 2.63Å; C31-Y81 HydrophobicContact CB-CD2 3.98Å; C31-Y81 HydrophobicContact CB-CE2 3.92Å
32E96Very high97.6Very high145 Ų14561.8 Ų61.868%0.67830%0.295SS*.Hα-helixtrans-72.7-36.4172.7-71.8176.4-175.700112A28 A29 A30A28-E32 WeakPolarHBondContact O-CG 3.17Å; A28-E32 PolarHBondContact O-N 2.83Å; A28-E32 VanDerWaalsContact O-N 3.13Å; A29-E32 PolarHBondContact O-N 2.92Å; A30-E32 VanDerWaalsContact C-N 3.27Å; A30-E32 PolarHBondContact O-N 2.98Å
33R97.5Very high97.6Very high154 Ų15462.1 Ų62.158%0.58130%0.295SS*.Hα-helixtrans-88.6-32.9-173.8-67.8171.565.11673114A29 A30 Y43A29-R33 WeakPolarHBondContact O-CD 3.16Å; A29-R33 VanDerWaalsContact O-CG 3.27Å; A29-R33 WeakPolarHBondContact O-CG 3.07Å; A29-R33 PolarHBondContact O-N 3.36Å; A30-R33 PolarHBondContact O-N 2.87Å; A30-R33 VanDerWaalsContact O-N 3.14Å; R33-Y43 PolarHBondContact NH1-OH 2.99Å; R33-Y43 VanDerWaalsContact NH1-OH 3.13Å
34F97.5Very high97.6Very high58 Ų5862.1 Ų62.125%0.25430%0.295SS..  trans-126.6149.4-171.1-51.2-70.5000110.8A30 D39 I40 Y43A30-F34 WeakPolarHBondContact O-CD2 3.17Å; A30-F34 PolarHBondContact O-N 3.06Å; F34-D39 HydrophobicContact CB-CB 4.04Å; F34-D39 HydrophobicContact CD1-CB 4.04Å; F34-D39 HydrophobicContact CG-CB 4.04Å; F34-I40 HydrophobicContact CB-CG1 3.78Å; F34-Y43 AromaticContact CE2-CD2 3.69Å; F34-Y43 HydrophobicContact CE2-CD2 3.69Å; F34-Y43 HydrophobicContact CE2-CE2 4.5Å; F34-Y43 AromaticContact CE2-CG 3.79Å; F34-Y43 HydrophobicContact CE2-CG 3.79Å; F34-Y43 HydrophobicContact CZ-CD2 4.23Å
35K94.3Very high97.7Very high180 Ų18063.4 Ų63.478%0.78330%0.298SS*.  trans-109.1-22.4174.8-60.8-56.9176.7-156.90113.1
36D97.2Very high97.7Very high79 Ų7963 Ų6342%0.42229%0.293SS..SBendtrans-86130.2178.9-176.5-91.2000110.5R38 D39 I40D36-R38 PolarHBondContact O-N 2.84Å; D36-R38 WeakPolarHBondContact OD1-CA 3.49Å; D36-R38 WeakPolarHBondContact OD1-CB 3.44Å; D36-R38 PolarHBondContact OD1-N 3.22Å; D36-D39 HydrophobicContact CB-CB 4.33Å; D36-D39 PolarHBondContact O-N 3.44Å; D36-D39 VanDerWaalsContact O-N 3.12Å; D36-D39 PolarHBondContact OD1-N 2.91Å; D36-I40 WeakPolarHBondContact O-CG1 3.49Å; D36-I40 PolarHBondContact O-N 3.3Å
37D97.8Very high97.8Very high58 Ų5865.6 Ų65.631%0.3130%0.303SS..Hα-helixtrans-58.9-35.4-176.5-71.2-18.4000112I40 A41 V60D37-I40 PolarHBondContact O-N 2.89Å; D37-A41 WeakPolarHBondContact O-CB 3.26Å; D37-A41 PolarHBondContact O-N 2.98Å; D37-V60 HydrophobicContact CB-CB 4.32Å; D37-V60 HydrophobicContact CB-CG1 4.09Å
38R98.2Very high97.8Very high184 Ų18465.6 Ų65.669%0.69430%0.304SS*.Hα-helixtrans-70.4-38179.5-174-170.164.7-168.1-4.9111.1D36 A41 K42D36-R38 PolarHBondContact O-N 2.84Å; D36-R38 WeakPolarHBondContact OD1-CA 3.49Å; D36-R38 WeakPolarHBondContact OD1-CB 3.44Å; D36-R38 PolarHBondContact OD1-N 3.22Å; R38-A41 PolarHBondContact O-N 3.09Å; R38-K42 VanDerWaalsContact O-CB 3.24Å; R38-K42 WeakPolarHBondContact O-CB 3.43Å; R38-K42 PolarHBondContact O-N 2.96Å
39D98.6Very high97.8Very high59 Ų5966.6 Ų66.632%0.31631%0.306SS..Hα-helixtrans-69.9-37.2177.3-70.1-22.8000111.6F34 D36 K42 Y43F34-D39 HydrophobicContact CB-CB 4.04Å; F34-D39 HydrophobicContact CD1-CB 4.04Å; F34-D39 HydrophobicContact CG-CB 4.04Å; D36-D39 HydrophobicContact CB-CB 4.33Å; D36-D39 PolarHBondContact O-N 3.44Å; D36-D39 VanDerWaalsContact O-N 3.12Å; D36-D39 PolarHBondContact OD1-N 2.91Å; D39-K42 PolarHBondContact O-N 3.01Å; D39-Y43 WeakPolarHBondContact O-CB 3.21Å; D39-Y43 PolarHBondContact O-N 3.27Å
40I98.6Very high97.9Very high4 Ų473.2 Ų73.22%0.02133%0.329CS..Hα-helixtrans-60.5-51.9171-64.1169.9000110A30 F34 D36 D37 K42 Y43 I44 V60A30-I40 HydrophobicContact CB-CB 4.38Å; A30-I40 HydrophobicContact CB-CG2 3.75Å; F34-I40 HydrophobicContact CB-CG1 3.78Å; D36-I40 WeakPolarHBondContact O-CG1 3.49Å; D36-I40 PolarHBondContact O-N 3.3Å; D37-I40 PolarHBondContact O-N 2.89Å; I40-K42 VanDerWaalsContact C-N 3.32Å; I40-K42 PolarHBondContact O-N 2.86Å; I40-Y43 PolarHBondContact O-N 2.91Å; I40-I44 HydrophobicContact CG2-CD1 3.89Å; I40-I44 WeakPolarHBondContact O-CG1 2.9Å; I40-I44 PolarHBondContact O-N 3.43Å; I40-I44 VanDerWaalsContact O-N 3.11Å; I40-V60 HydrophobicContact CG2-CG1 4.22Å; I40-V60 HydrophobicContact CG2-CG2 4Å
41A98.8Very high97.9Very high11 Ų1180.5 Ų80.59%0.09136%0.356CS..Hα-helixtrans-57.7-45.5178.500000111.9D37 R38 Y43 I44 K45 C58 V60D37-A41 WeakPolarHBondContact O-CB 3.26Å; D37-A41 PolarHBondContact O-N 2.98Å; R38-A41 PolarHBondContact O-N 3.09Å; A41-Y43 PolarHBondContact O-N 3.36Å; A41-I44 PolarHBondContact O-N 3.43Å; A41-K45 VanDerWaalsContact O-CB 3.3Å; A41-K45 WeakPolarHBondContact O-CB 3.27Å; A41-K45 PolarHBondContact O-N 3.01Å; A41-C58 HydrophobicContact CB-CB 4.32Å; A41-C58 WeakPolarHBondContact O-CB 3.33Å; A41-V60 HydrophobicContact CB-CB 4.17Å; A41-V60 HydrophobicContact CB-CG2 3.75Å
42K98.8Very high98Very high114 Ų11483.6 Ų83.650%0.49637%0.366SS..Hα-helixtrans-58.8-45.9177.7-179.4-177.9176-176.20111.5R38 D39 I40 Q46R38-K42 VanDerWaalsContact O-CB 3.24Å; R38-K42 WeakPolarHBondContact O-CB 3.43Å; R38-K42 PolarHBondContact O-N 2.96Å; D39-K42 PolarHBondContact O-N 3.01Å; I40-K42 VanDerWaalsContact C-N 3.32Å; I40-K42 PolarHBondContact O-N 2.86Å; K42-Q46 HydrophobicContact CG-CG 4.43Å; K42-Q46 WeakPolarHBondContact O-CB 3.3Å; K42-Q46 VanDerWaalsContact O-CG 3.25Å; K42-Q46 WeakPolarHBondContact O-CG 3.44Å; K42-Q46 PolarHBondContact O-N 3.43Å
43Y98.8Very high98Very high38 Ų3878.2 Ų78.215%0.14935%0.349CS..Hα-helixtrans-60.1-51.3178.9179.9-92.9000112A30 R33 F34 D39 I40 A41 K45 Q46 E47A30-Y43 HydrophobicContact CB-CD1 3.58Å; A30-Y43 HydrophobicContact CB-CE1 4.25Å; A30-Y43 HydrophobicContact CB-CG 4.2Å; R33-Y43 PolarHBondContact NH1-OH 2.99Å; R33-Y43 VanDerWaalsContact NH1-OH 3.13Å; F34-Y43 AromaticContact CE2-CD2 3.69Å; F34-Y43 HydrophobicContact CE2-CD2 3.69Å; F34-Y43 HydrophobicContact CE2-CE2 4.5Å; F34-Y43 AromaticContact CE2-CG 3.79Å; F34-Y43 HydrophobicContact CE2-CG 3.79Å; F34-Y43 HydrophobicContact CZ-CD2 4.23Å; D39-Y43 WeakPolarHBondContact O-CB 3.21Å; D39-Y43 PolarHBondContact O-N 3.27Å; I40-Y43 PolarHBondContact O-N 2.91Å; A41-Y43 PolarHBondContact O-N 3.36Å; Y43-K45 VanDerWaalsContact C-N 3.35Å; Y43-K45 PolarHBondContact O-N 3.15Å; Y43-Q46 PolarHBondContact O-N 3.36Å; Y43-E47 HydrophobicContact CD1-CG 4.39Å; Y43-E47 HydrophobicContact CE1-CG 4Å; Y43-E47 HydrophobicContact CE2-CG 4.36Å; Y43-E47 PolarHBondContact O-N 2.97Å
44I98.8Very high97.9Very high0 Ų073.6 Ų73.60%035%0.349CS..Hα-helixtrans-61.3-45.9-178.5-60.9164.7000110.5C27 A30 I40 A41 Q46 E47 F48 V60 V85 L87C27-I44 HydrophobicContact CB-CD1 3.79Å; C27-I44 HydrophobicContact CB-CG1 4.47Å; A30-I44 HydrophobicContact CB-CD1 4.41Å; A30-I44 HydrophobicContact CB-CG1 4.06Å; I40-I44 HydrophobicContact CG2-CD1 3.89Å; I40-I44 WeakPolarHBondContact O-CG1 2.9Å; I40-I44 PolarHBondContact O-N 3.43Å; I40-I44 VanDerWaalsContact O-N 3.11Å; A41-I44 PolarHBondContact O-N 3.43Å; I44-Q46 PolarHBondContact O-N 2.89Å; I44-E47 PolarHBondContact O-N 3.46Å; I44-F48 HydrophobicContact CG2-CD2 4.37Å; I44-F48 WeakPolarHBondContact O-CD2 3.48Å; I44-F48 PolarHBondContact O-N 3.4Å; I44-F48 VanDerWaalsContact O-N 3.09Å; I44-V60 HydrophobicContact CD1-CG2 4.41Å; I44-V85 HydrophobicContact CD1-CG1 4.3Å; I44-L87 HydrophobicContact CG2-CD1 4.06Å; I44-L87 HydrophobicContact CG2-CD2 3.82Å; I44-L87 HydrophobicContact CG2-CG 4.47Å
45K98.7Very high97.8Very high53 Ų5374.6 Ų74.623%0.2336%0.36CS..Hα-helixtrans-55.6-50.9176.1-174.2-154.1177.2-44.80111.3A41 Y43 E47 F48 D49 W56 C58A41-K45 VanDerWaalsContact O-CB 3.3Å; A41-K45 WeakPolarHBondContact O-CB 3.27Å; A41-K45 PolarHBondContact O-N 3.01Å; Y43-K45 VanDerWaalsContact C-N 3.35Å; Y43-K45 PolarHBondContact O-N 3.15Å; K45-E47 VanDerWaalsContact C-N 3.35Å; K45-E47 PolarHBondContact O-N 2.92Å; K45-F48 PolarHBondContact O-N 2.85Å; K45-D49 VanDerWaalsContact NZ-CG 3.29Å; K45-D49 IonicContact NZ-OD1 3.15Å; K45-D49 PolarHBondContact NZ-OD1 2.96Å; K45-D49 VanDerWaalsContact NZ-OD1 3.15Å; K45-D49 IonicContact NZ-OD2 2.63Å; K45-D49 PolarHBondContact NZ-OD2 3.4Å; K45-D49 VanDerWaalsContact O-CG 3.24Å; K45-D49 PolarHBondContact O-N 3.45Å; K45-W56 WeakPolarHBondContact CD-O 3.35Å; K45-W56 WeakPolarHBondContact CE-O 3.36Å; K45-W56 HydrophobicContact CG-CB 4.11Å; K45-W56 WeakPolarHBondContact CG-O 3.43Å; K45-W56 PolarHBondContact NZ-O 3.34Å; K45-C58 HydrophobicContact CB-CB 3.97Å
46Q98.6Very high98Very high100 Ų10066.1 Ų66.147%0.46732%0.324SS..Hα-helixtrans-64.1-37.7-177-75.5-179.2-33.300112.7K42 Y43 I44 K50K42-Q46 HydrophobicContact CG-CG 4.43Å; K42-Q46 WeakPolarHBondContact O-CB 3.3Å; K42-Q46 VanDerWaalsContact O-CG 3.25Å; K42-Q46 WeakPolarHBondContact O-CG 3.44Å; K42-Q46 PolarHBondContact O-N 3.43Å; Y43-Q46 PolarHBondContact O-N 3.36Å; I44-Q46 PolarHBondContact O-N 2.89Å; Q46-K50 VanDerWaalsContact O-CB 3.31Å; Q46-K50 WeakPolarHBondContact O-CB 3.38Å; Q46-K50 PolarHBondContact O-N 2.85Å
47E98.6Very high98.1Very high70 Ų7066 Ų6633%0.32732%0.321SS..Hα-helixtrans-65.5-39.9175-75.2-59.7131.900111.8Y43 I44 K45 K50 R51Y43-E47 HydrophobicContact CD1-CG 4.39Å; Y43-E47 HydrophobicContact CE1-CG 4Å; Y43-E47 HydrophobicContact CE2-CG 4.36Å; Y43-E47 PolarHBondContact O-N 2.97Å; I44-E47 PolarHBondContact O-N 3.46Å; K45-E47 VanDerWaalsContact C-N 3.35Å; K45-E47 PolarHBondContact O-N 2.92Å; E47-K50 PolarHBondContact O-N 3.43Å; E47-R51 WeakPolarHBondContact O-CB 3.39Å; E47-R51 PolarHBondContact O-N 3.23Å
48F98.7Very high98.2Very high1 Ų164.1 Ų64.10%0.00431%0.311CS..Hα-helixtrans-72.5-40.1177-89-111.5000112.9M15 M19 I22 A23 C26 I44 K45 K50 R51 Y52 W56 L87M15-F48 HydrophobicContact CE-CE1 4.29Å; M15-F48 HydrophobicContact SD-CE1 4.49Å; M19-F48 HydrophobicContact CE-CD1 3.81Å; M19-F48 HydrophobicContact CE-CE1 3.56Å; M19-F48 HydrophobicContact CG-CE1 4.04Å; I22-F48 HydrophobicContact CG2-CE2 4.07Å; I22-F48 HydrophobicContact CG2-CZ 4.02Å; A23-F48 HydrophobicContact CB-CE2 4.24Å; A23-F48 HydrophobicContact CB-CZ 3.67Å; C26-F48 HydrophobicContact CB-CE2 4.37Å; I44-F48 HydrophobicContact CG2-CD2 4.37Å; I44-F48 WeakPolarHBondContact O-CD2 3.48Å; I44-F48 PolarHBondContact O-N 3.4Å; I44-F48 VanDerWaalsContact O-N 3.09Å; K45-F48 PolarHBondContact O-N 2.85Å; F48-K50 VanDerWaalsContact C-N 3.26Å; F48-K50 PolarHBondContact O-N 3.11Å; F48-R51 PolarHBondContact O-N 3.38Å; F48-Y52 HydrophobicContact CB-CD2 4.4Å; F48-Y52 AromaticContact CD1-CD2 3.57Å; F48-Y52 HydrophobicContact CD1-CD2 3.57Å; F48-Y52 AromaticContact CD1-CE2 3.7Å; F48-Y52 HydrophobicContact CD1-CE2 3.7Å; F48-Y52 AromaticContact CE1-CD2 3.99Å; F48-Y52 HydrophobicContact CE1-CD2 3.99Å; F48-Y52 AromaticContact CE1-CE2 3.63Å; F48-Y52 HydrophobicContact CE1-CE2 3.63Å; F48-Y52 HydrophobicContact CG-CD2 4.08Å; F48-Y52 HydrophobicContact CG-CE2 4.27Å; F48-Y52 HydrophobicContact CZ-CE2 4.12Å; F48-Y52 PolarHBondContact O-N 3.02Å; F48-W56 HydrophobicContact CB-CB 4.24Å; F48-W56 HydrophobicContact CB-CD2 3.65Å; F48-W56 HydrophobicContact CB-CE3 4.06Å; F48-W56 HydrophobicContact CB-CG 3.7Å; F48-W56 HydrophobicContact CD1-CD2 4.01Å; F48-W56 AromaticContact CD1-CE3 3.8Å; F48-W56 HydrophobicContact CD1-CE3 3.8Å; F48-W56 AromaticContact CD1-CH2 3.84Å; F48-W56 HydrophobicContact CD1-CH2 3.84Å; F48-W56 AromaticContact CD1-CZ2 3.99Å; F48-W56 HydrophobicContact CD1-CZ2 3.99Å; F48-W56 AromaticContact CD1-CZ3 3.72Å; F48-W56 HydrophobicContact CD1-CZ3 3.72Å; F48-W56 HydrophobicContact CE1-CH2 4.38Å; F48-W56 HydrophobicContact CE1-CZ3 4.32Å; F48-W56 HydrophobicContact CG-CD2 4.29Å; F48-W56 HydrophobicContact CG-CE3 4.28Å; F48-W56 PolarHBondContact O-NE1 2.98Å; F48-L87 HydrophobicContact CD1-CD2 3.77Å; F48-L87 HydrophobicContact CD1-CG 4.45Å; F48-L87 HydrophobicContact CD2-CD2 3.82Å; F48-L87 HydrophobicContact CE1-CD2 3.63Å; F48-L87 HydrophobicContact CE2-CD2 3.71Å; F48-L87 HydrophobicContact CG-CD1 4.4Å; F48-L87 HydrophobicContact CG-CD2 3.87Å; F48-L87 HydrophobicContact CZ-CD2 3.62Å
49D98.2Very high98.2Very high42 Ų4258.6 Ų58.623%0.22530%0.295CS..Hα-helixtrans-54-46.7170.4-69.3-29.4000110.2K45 G53 W56K45-D49 VanDerWaalsContact NZ-CG 3.29Å; K45-D49 IonicContact NZ-OD1 3.15Å; K45-D49 PolarHBondContact NZ-OD1 2.96Å; K45-D49 VanDerWaalsContact NZ-OD1 3.15Å; K45-D49 IonicContact NZ-OD2 2.63Å; K45-D49 PolarHBondContact NZ-OD2 3.4Å; K45-D49 VanDerWaalsContact O-CG 3.24Å; K45-D49 PolarHBondContact O-N 3.45Å; D49-G53 WeakPolarHBondContact O-CA 3.3Å; D49-G53 PolarHBondContact O-N 3.46Å; D49-W56 VanDerWaalsContact OD1-CB 3.27Å; D49-W56 WeakPolarHBondContact OD1-CB 3.47Å; D49-W56 PolarHBondContact OD1-N 3.25Å
50K98.3Very high98.2Very high170 Ų17056.6 Ų56.674%0.73929%0.285SS*.Hα-helixtrans-69.1-40.5-178.9-178.6-177.9173.3-171.50112.7Q46 E47 F48Q46-K50 VanDerWaalsContact O-CB 3.31Å; Q46-K50 WeakPolarHBondContact O-CB 3.38Å; Q46-K50 PolarHBondContact O-N 2.85Å; E47-K50 PolarHBondContact O-N 3.43Å; F48-K50 VanDerWaalsContact C-N 3.26Å; F48-K50 PolarHBondContact O-N 3.11Å
51R98.1Very high98.1Very high154 Ų15456.9 Ų56.958%0.58129%0.289SS*.Hα-helixtrans-82.3-36.3-172.1-172.5169.4-174.1158.51.6113.3I22 E47 F48I22-R51 VanDerWaalsContact CG2-NH1 3.31Å; E47-R51 WeakPolarHBondContact O-CB 3.39Å; E47-R51 PolarHBondContact O-N 3.23Å; F48-R51 PolarHBondContact O-N 3.38Å
52Y97.6Very high97.9Very high82 Ų8263.7 Ų63.732%0.32232%0.316SS..Hα-helixtrans-118.2-7.8-172-60-73.1000113.4M19 I22 F48 W56M19-Y52 HydrophobicContact CE-CD1 4.1Å; M19-Y52 HydrophobicContact CE-CD2 3.69Å; M19-Y52 HydrophobicContact CE-CE1 4.13Å; M19-Y52 HydrophobicContact CE-CE2 3.73Å; M19-Y52 HydrophobicContact CE-CG 3.86Å; M19-Y52 HydrophobicContact CG-CE1 4.45Å; M19-Y52 HydrophobicContact CG-CE2 4.25Å; M19-Y52 HydrophobicContact SD-CE1 4.17Å; M19-Y52 HydrophobicContact SD-CE2 4.49Å; I22-Y52 WeakPolarHBondContact CD1-OH 3.44Å; F48-Y52 HydrophobicContact CB-CD2 4.4Å; F48-Y52 AromaticContact CD1-CD2 3.57Å; F48-Y52 HydrophobicContact CD1-CD2 3.57Å; F48-Y52 AromaticContact CD1-CE2 3.7Å; F48-Y52 HydrophobicContact CD1-CE2 3.7Å; F48-Y52 AromaticContact CE1-CD2 3.99Å; F48-Y52 HydrophobicContact CE1-CD2 3.99Å; F48-Y52 AromaticContact CE1-CE2 3.63Å; F48-Y52 HydrophobicContact CE1-CE2 3.63Å; F48-Y52 HydrophobicContact CG-CD2 4.08Å; F48-Y52 HydrophobicContact CG-CE2 4.27Å; F48-Y52 HydrophobicContact CZ-CE2 4.12Å; F48-Y52 PolarHBondContact O-N 3.02Å; Y52-W56 HydrophobicContact CD2-CZ2 4.45Å; Y52-W56 HydrophobicContact CG-CZ2 4.44Å
53G95.9Very high97.6Very high31 Ų3169.6 Ų69.632%0.3234%0.335SS..  trans67.1-175.5-174.400000112.8D49 W56 Q89D49-G53 WeakPolarHBondContact O-CA 3.3Å; D49-G53 PolarHBondContact O-N 3.46Å; G53-W56 PolarHBondContact O-NE1 3.04Å; G53-Q89 PolarHBondContact O-NE2 3.39Å
54G95.1Very high97.5Very high57 Ų5770.5 Ų70.559%0.58834%0.34SS*.SBendtrans70.1-166.2-174.800000112.8
55T97.1Very high97.2Very high79 Ų7974.3 Ų74.349%0.48538%0.379SS..  trans-109.3103.9-177-58.80000109.8A90T55-A90 HydrophobicContact CG2-CB 4.49Å; T55-A90 WeakPolarHBondContact O-CB 3.36Å; T55-A90 PolarHBondContact O-N 2.92Å
56W98.6Very high97Very high3 Ų374.6 Ų74.61%0.01139%0.387CS..EExtended strand (participates in β ladder)trans-86.7151.2175.2-68.977.9000111.7M15 M19 K45 F48 D49 Y52 G53 S74 L87 F88 Q89M15-W56 HydrophobicContact CE-CH2 3.81Å; M15-W56 HydrophobicContact CE-CZ3 3.43Å; M15-W56 VanDerWaalsContact CE-CZ3 3.43Å; M19-W56 HydrophobicContact CE-CH2 3.14Å; M19-W56 HydrophobicContact CE-CZ2 3.43Å; M19-W56 VanDerWaalsContact CE-CZ2 3.43Å; M19-W56 HydrophobicContact CE-CZ3 4.14Å; K45-W56 WeakPolarHBondContact CD-O 3.35Å; K45-W56 WeakPolarHBondContact CE-O 3.36Å; K45-W56 HydrophobicContact CG-CB 4.11Å; K45-W56 WeakPolarHBondContact CG-O 3.43Å; K45-W56 PolarHBondContact NZ-O 3.34Å; F48-W56 HydrophobicContact CB-CB 4.24Å; F48-W56 HydrophobicContact CB-CD2 3.65Å; F48-W56 HydrophobicContact CB-CE3 4.06Å; F48-W56 HydrophobicContact CB-CG 3.7Å; F48-W56 HydrophobicContact CD1-CD2 4.01Å; F48-W56 AromaticContact CD1-CE3 3.8Å; F48-W56 HydrophobicContact CD1-CE3 3.8Å; F48-W56 AromaticContact CD1-CH2 3.84Å; F48-W56 HydrophobicContact CD1-CH2 3.84Å; F48-W56 AromaticContact CD1-CZ2 3.99Å; F48-W56 HydrophobicContact CD1-CZ2 3.99Å; F48-W56 AromaticContact CD1-CZ3 3.72Å; F48-W56 HydrophobicContact CD1-CZ3 3.72Å; F48-W56 HydrophobicContact CE1-CH2 4.38Å; F48-W56 HydrophobicContact CE1-CZ3 4.32Å; F48-W56 HydrophobicContact CG-CD2 4.29Å; F48-W56 HydrophobicContact CG-CE3 4.28Å; F48-W56 PolarHBondContact O-NE1 2.98Å; D49-W56 VanDerWaalsContact OD1-CB 3.27Å; D49-W56 WeakPolarHBondContact OD1-CB 3.47Å; D49-W56 PolarHBondContact OD1-N 3.25Å; Y52-W56 HydrophobicContact CD2-CZ2 4.45Å; Y52-W56 HydrophobicContact CG-CZ2 4.44Å; G53-W56 PolarHBondContact O-NE1 3.04Å; W56-S74 WeakPolarHBondContact CH2-O 3.45Å; W56-S74 WeakPolarHBondContact CZ3-O 3.34Å; W56-L87 HydrophobicContact CE3-CD1 3.75Å; W56-L87 HydrophobicContact CE3-CG 3.94Å; W56-L87 HydrophobicContact CZ3-CD1 4.42Å; W56-L87 HydrophobicContact CZ3-CG 4.11Å; W56-F88 CarbonylContact C-O 3.58Å; W56-F88 WeakPolarHBondContact CA-O 3.27Å; W56-Q89 HydrophobicContact CD2-CB 3.95Å; W56-Q89 HydrophobicContact CD2-CG 4.46Å; W56-Q89 HydrophobicContact CE3-CB 4.12Å; W56-Q89 HydrophobicContact CH2-CB 3.91Å; W56-Q89 HydrophobicContact CZ2-CB 3.79Å; W56-Q89 HydrophobicContact CZ2-CG 4.36Å; W56-Q89 HydrophobicContact CZ3-CB 4.1Å
57Q98.5Very high96.8Very high77 Ų7781.1 Ų81.136%0.3641%0.409SS..EExtended strand (participates in β ladder)trans-125.1136.1172.1-60-61.4-24.300108L87 F88 A90Q57-L87 WeakPolarHBondContact O-CA 3.35Å; Q57-F88 HydrophobicContact CB-CD1 4.16Å; Q57-F88 HydrophobicContact CB-CD2 4.32Å; Q57-F88 HydrophobicContact CB-CE1 3.66Å; Q57-F88 HydrophobicContact CB-CE2 3.84Å; Q57-F88 HydrophobicContact CB-CG 4.48Å; Q57-F88 HydrophobicContact CB-CZ 3.48Å; Q57-F88 VanDerWaalsContact CB-CZ 3.48Å; Q57-F88 HydrophobicContact CG-CE2 3.95Å; Q57-F88 HydrophobicContact CG-CZ 3.92Å; Q57-F88 PolarHBondContact N-O 3.16Å; Q57-F88 PolarHBondContact O-N 3.47Å; Q57-A90 HydrophobicContact CG-CB 4.16Å
58C98.8Very high96.7Very high17 Ų1779.8 Ų79.812%0.11541%0.406CS..EExtended strand (participates in β ladder)trans-133.2131.8177-170.80000109.5A41 K45 L86 L87A41-C58 HydrophobicContact CB-CB 4.32Å; A41-C58 WeakPolarHBondContact O-CB 3.33Å; K45-C58 HydrophobicContact CB-CB 3.97Å; C58-L86 CarbonylContact C-O 3.59Å; C58-L86 VanDerWaalsContact CA-O 3.3Å; C58-L86 WeakPolarHBondContact CA-O 3.39Å; C58-L87 HydrophobicContact CB-CD1 3.99Å
59I98.6Very high96.6Very high69 Ų6984.4 Ų84.435%0.35444%0.438SS..EExtended strand (participates in β ladder)trans-122.5127.2176.3-51.5175.4000106.9F64 V85 L86I59-F64 HydrophobicContact CG2-CD1 4.22Å; I59-F64 HydrophobicContact CG2-CE1 4.28Å; I59-F64 HydrophobicContact CG2-CG 4.42Å; I59-V85 WeakPolarHBondContact O-CA 3.5Å; I59-L86 HydrophobicContact CB-CB 4.23Å; I59-L86 HydrophobicContact CD1-CD2 3.97Å; I59-L86 PolarHBondContact N-O 3.2Å; I59-L86 PolarHBondContact O-N 3.45Å
60V98.5Very high96.6Very high17 Ų1785.2 Ų85.210%0.10344%0.441CS..EExtended strand (participates in β ladder)trans-124135.9176.71780000107.9D37 I40 A41 I44 N83 A84 V85D37-V60 HydrophobicContact CB-CB 4.32Å; D37-V60 HydrophobicContact CB-CG1 4.09Å; I40-V60 HydrophobicContact CG2-CG1 4.22Å; I40-V60 HydrophobicContact CG2-CG2 4Å; A41-V60 HydrophobicContact CB-CB 4.17Å; A41-V60 HydrophobicContact CB-CG2 3.75Å; I44-V60 HydrophobicContact CD1-CG2 4.41Å; V60-N83 HydrophobicContact CG1-CB 4.03Å; V60-A84 WeakPolarHBondContact CA-O 3.4Å; V60-V85 HydrophobicContact CG2-CG1 4.28Å; V60-V85 HydrophobicContact CG2-CG2 4.27Å
61G97.4Very high96.6Very high9 Ų978.7 Ų78.79%0.09342%0.415CS..EExtended strand (participates in β ladder)trans172.4171.6172.600000112A84G61-A84 PolarHBondContact N-O 3.27Å; G61-A84 WeakPolarHBondContact O-CA 3.24Å; G61-A84 VanDerWaalsContact O-CB 3.3Å; G61-A84 WeakPolarHBondContact O-CB 3.15Å; G61-A84 PolarHBondContact O-N 3.14Å
62K94.2Very high96.5Very high154 Ų15479.1 Ų79.167%0.6742%0.424SS*.SBendtrans-73.3-35.9-176.9-62.5-179.5-177.4174.90113.1
63R92.4Very high96.5Very high239 Ų23979 Ų7990%0.90243%0.429SS*.SBendtrans-151.1128.1-177.2-62.1-174.5-177.1-158.3-0.5109.8
64F95.8Very high96.6Very high57 Ų5777.7 Ų77.725%0.2542%0.415CS..  trans-154.6153.7171.151.3-98.6000109.2I59 C66 Y77 A84 L86I59-F64 HydrophobicContact CG2-CD1 4.22Å; I59-F64 HydrophobicContact CG2-CE1 4.28Å; I59-F64 HydrophobicContact CG2-CG 4.42Å; F64-C66 HydrophobicContact CD2-CB 4.4Å; F64-Y77 HydrophobicContact CE2-CD2 4.31Å; F64-Y77 AromaticContact CE2-CE2 3.82Å; F64-Y77 HydrophobicContact CE2-CE2 3.82Å; F64-Y77 HydrophobicContact CZ-CD2 4.26Å; F64-Y77 AromaticContact CZ-CE2 3.7Å; F64-Y77 HydrophobicContact CZ-CE2 3.7Å; F64-A84 HydrophobicContact CE1-CB 3.67Å; F64-A84 WeakPolarHBondContact CE1-O 3.47Å; F64-A84 HydrophobicContact CZ-CB 3.91Å; F64-L86 HydrophobicContact CE2-CB 3.93Å; F64-L86 HydrophobicContact CZ-CB 3.97Å
65G94.3Very high96.8Very high80 Ų8076.2 Ų76.283%0.82539%0.392SS*.  trans-100.7143.5163.100000108.9
66C94.3Very high96.9Very high58 Ų5872.5 Ų72.539%0.39237%0.369SS..  trans-144.3145.9177.460.20000110.6F64 V68 L86F64-C66 HydrophobicContact CD2-CB 4.4Å; C66-V68 HydrophobicContact CB-CG1 4.41Å; C66-L86 HydrophobicContact CB-CD2 3.72Å
67Y94.2Very high96.8Very high237 Ų23775 Ų7593%0.92938%0.379SS*.  trans-144.3101.4167.3-162.2-90.9000105.9
68V96.1Very high96.8Very high43 Ų4371.3 Ų71.326%0.26136%0.362SS..  trans-121.5148.1-168.5-60.60000109.9C66 F75 L86 F88C66-V68 HydrophobicContact CB-CG1 4.41Å; V68-F75 HydrophobicContact CG2-CD2 4.17Å; V68-F75 HydrophobicContact CG2-CE2 3.9Å; V68-L86 HydrophobicContact CG1-CD2 4.31Å; V68-L86 HydrophobicContact CG2-CD2 4.37Å; V68-F88 HydrophobicContact CB-CE1 4.27Å; V68-F88 HydrophobicContact CB-CE2 4.07Å; V68-F88 HydrophobicContact CB-CZ 3.92Å; V68-F88 HydrophobicContact CG1-CE1 4Å; V68-F88 HydrophobicContact CG1-CE2 4.43Å; V68-F88 HydrophobicContact CG1-CZ 3.79Å; V68-F88 HydrophobicContact CG2-CD1 4.12Å; V68-F88 HydrophobicContact CG2-CD2 4.29Å; V68-F88 HydrophobicContact CG2-CE1 4.12Å; V68-F88 HydrophobicContact CG2-CE2 4.29Å; V68-F88 HydrophobicContact CG2-CG 4.2Å; V68-F88 HydrophobicContact CG2-CZ 4.19Å
69S97Very high96.7Very high98 Ų9873.7 Ų73.769%0.68537%0.371SS*.  trans-93.8139.6163.9-56.80000108.8
70H97.4Very high96.6Very high59 Ų5970.6 Ų70.627%0.27336%0.355SS..  trans-144.5161.4-17759.5-84.5000110.3D14 F75 F88 Q89D14-H70 IonicContact OD2-CD2 3.38Å; D14-H70 PolarHBondContact OD2-CD2 2.95Å; D14-H70 IonicContact OD2-NE2 2.83Å; D14-H70 PolarHBondContact OD2-NE2 3.31Å; H70-F75 WeakPolarHBondContact CD2-CB 3.39Å; H70-F75 AromaticContact CE1-CD2 3.87Å; H70-F75 AromaticContact CE1-CG 3.86Å; H70-F75 AromaticContact ND1-CD2 3.74Å; H70-F75 VanDerWaalsContact NE2-CB 3.3Å; H70-F75 WeakPolarHBondContact NE2-CB 3.38Å; H70-F75 AromaticContact NE2-CG 3.9Å; H70-F88 HydrophobicContact CB-CB 3.91Å; H70-F88 HydrophobicContact CB-CD2 3.92Å; H70-F88 HydrophobicContact CB-CG 4.31Å; H70-Q89 VanDerWaalsContact CA-O 3.26Å; H70-Q89 WeakPolarHBondContact CA-O 3.34Å; H70-Q89 WeakPolarHBondContact CB-O 3.5Å
71T97.7Very high96.4Very high32 Ų3274.7 Ų74.720%0.19637%0.369CS..  trans-72.9153.2173.361.20000110.3S74 Q89T71-S74 WeakPolarHBondContact O-CB 3.47Å; T71-S74 PolarHBondContact O-N 3Å; T71-S74 PolarHBondContact O-OG 2.84Å; T71-S74 VanDerWaalsContact OG1-CB 3.31Å; T71-S74 WeakPolarHBondContact OG1-CB 3.37Å; T71-S74 PolarHBondContact OG1-OG 3.32Å; T71-Q89 HydrophobicContact CG2-CG 4.45Å; T71-Q89 PolarHBondContact N-O 3.13Å; T71-Q89 VanDerWaalsContact N-O 3.08Å; T71-Q89 WeakPolarHBondContact OG1-CB 3.12Å; T71-Q89 PolarHBondContact OG1-OE1 2.83Å
72E97.1Very high96Very high164 Ų16480.7 Ų80.777%0.76640%0.399SS*.THydrogen-bonded Turntrans-57.9142.8-177.4-159.1-171.7161.500112.7S74E72-S74 PolarHBondContact O-N 3.01Å
73N97.8Very high96Very high80 Ų8074.3 Ų74.343%0.42837%0.372SS..THydrogen-bonded Turntrans62.124.3177.1-54.2-64.3000114.5D14D14-N73 WeakPolarHBondContact O-CA 3.3Å; D14-N73 PolarHBondContact O-OD1 2.86Å; D14-N73 VanDerWaalsContact OD1-C 3.32Å; D14-N73 WeakPolarHBondContact OD1-CA 3.27Å; D14-N73 PolarHBondContact OD2-N 2.69Å
74S98.1Very high96.2Very high3 Ų363.1 Ų63.12%0.02133%0.331CS..  trans-125.111.8-171.882.40000114.4D14 M15 W56 T71 E72 F88 Q89D14-S74 PolarHBondContact OD1-N 3.45Å; M15-S74 WeakPolarHBondContact CE-O 3.43Å; W56-S74 WeakPolarHBondContact CH2-O 3.45Å; W56-S74 WeakPolarHBondContact CZ3-O 3.34Å; T71-S74 WeakPolarHBondContact O-CB 3.47Å; T71-S74 PolarHBondContact O-N 3Å; T71-S74 PolarHBondContact O-OG 2.84Å; T71-S74 VanDerWaalsContact OG1-CB 3.31Å; T71-S74 WeakPolarHBondContact OG1-CB 3.37Å; T71-S74 PolarHBondContact OG1-OG 3.32Å; E72-S74 PolarHBondContact O-N 3.01Å; S74-F88 WeakPolarHBondContact O-CA 3.46Å; S74-Q89 PolarHBondContact O-N 2.87Å; S74-Q89 WeakPolarHBondContact OG-CB 3.3Å; S74-Q89 PolarHBondContact OG-N 3.12Å
75F98.5Very high96.3Very high26 Ų2660.4 Ų60.411%0.11432%0.319CS..EExtended strand (participates in β ladder)trans-117.4135.8-175170.8-79.3000112.4T13 D14 M15 V68 H70 L86 F88T13-F75 VanDerWaalsContact CA-O 3.28Å; T13-F75 WeakPolarHBondContact CA-O 3.26Å; T13-F75 PolarHBondContact OG1-O 3.38Å; T13-F75 VanDerWaalsContact OG1-O 3.07Å; D14-F75 PolarHBondContact N-O 3.36Å; D14-F75 WeakPolarHBondContact OD1-CA 3.25Å; D14-F75 WeakPolarHBondContact OD1-CB 3.39Å; D14-F75 PolarHBondContact OD1-N 3.45Å; M15-F75 WeakPolarHBondContact CG-O 3.31Å; M15-F75 PolarHBondContact N-O 2.95Å; V68-F75 HydrophobicContact CG2-CD2 4.17Å; V68-F75 HydrophobicContact CG2-CE2 3.9Å; H70-F75 WeakPolarHBondContact CD2-CB 3.39Å; H70-F75 AromaticContact CE1-CD2 3.87Å; H70-F75 AromaticContact CE1-CG 3.86Å; H70-F75 AromaticContact ND1-CD2 3.74Å; H70-F75 VanDerWaalsContact NE2-CB 3.3Å; H70-F75 WeakPolarHBondContact NE2-CB 3.38Å; H70-F75 AromaticContact NE2-CG 3.9Å; F75-L86 HydrophobicContact CD2-CD1 4.34Å; F75-L86 HydrophobicContact CE2-CD1 3.45Å; F75-L86 VanDerWaalsContact CE2-CD1 3.45Å; F75-L86 HydrophobicContact CE2-CG 4.41Å; F75-L86 HydrophobicContact CZ-CD1 3.57Å; F75-F88 HydrophobicContact CB-CB 4.31Å; F75-F88 HydrophobicContact CD2-CB 4.01Å
76I98.7Very high96.5Very high0 Ų056.6 Ų56.60%028%0.279CS..EExtended strand (participates in β ladder)trans-144.1137168.4-164.8174.2000111.4I10 M15 Q20 A23 F78 L87I10-I76 HydrophobicContact CD1-CD1 3.84Å; I10-I76 HydrophobicContact CD1-CG1 4.46Å; I10-I76 HydrophobicContact CG2-CG1 4.31Å; M15-I76 HydrophobicContact CE-CB 4.07Å; M15-I76 HydrophobicContact CE-CG2 3.66Å; M15-I76 HydrophobicContact CG-CB 4.45Å; M15-I76 HydrophobicContact SD-CB 3.74Å; M15-I76 HydrophobicContact SD-CG2 3.66Å; Q20-I76 HydrophobicContact CB-CD1 3.78Å; Q20-I76 HydrophobicContact CG-CD1 3.72Å; A23-I76 HydrophobicContact CB-CD1 4.25Å; A23-I76 HydrophobicContact CB-CG2 4.09Å; I76-F78 HydrophobicContact CD1-CD1 4.01Å; I76-F78 HydrophobicContact CD1-CE1 4.47Å; I76-F78 HydrophobicContact CG1-CD1 3.93Å; I76-F78 HydrophobicContact CG2-CD1 4.16Å; I76-F78 HydrophobicContact CG2-CE1 4.15Å; I76-L87 HydrophobicContact CG2-CB 3.83Å; I76-L87 HydrophobicContact CG2-CD2 4.27Å; I76-L87 HydrophobicContact CG2-CG 4.42Å; I76-L87 PolarHBondContact N-O 3.13Å; I76-L87 PolarHBondContact O-N 3.25Å
77Y98.4Very high96.8Very high56 Ų5653.9 Ų53.922%0.2226%0.261CS..EExtended strand (participates in β ladder)trans-124.2121.2169.9176.8-127.3000109.1K11 S12 F64 H79 A84 V85 L86K11-Y77 HydrophobicContact CB-CD1 3.38Å; K11-Y77 HydrophobicContact CB-CE1 3.65Å; K11-Y77 HydrophobicContact CB-CG 4.26Å; K11-Y77 WeakPolarHBondContact CB-O 3.49Å; K11-Y77 HydrophobicContact CG-CD1 4.08Å; K11-Y77 HydrophobicContact CG-CE1 3.89Å; K11-Y77 PolarHBondContact N-O 2.91Å; S12-Y77 PolarHBondContact N-O 3.27Å; S12-Y77 PolarHBondContact O-N 3.47Å; F64-Y77 HydrophobicContact CE2-CD2 4.31Å; F64-Y77 AromaticContact CE2-CE2 3.82Å; F64-Y77 HydrophobicContact CE2-CE2 3.82Å; F64-Y77 HydrophobicContact CZ-CD2 4.26Å; F64-Y77 AromaticContact CZ-CE2 3.7Å; F64-Y77 HydrophobicContact CZ-CE2 3.7Å; Y77-H79 AromaticContact CZ-NE2 3.65Å; Y77-H79 PolarHBondContact OH-NE2 3.06Å; Y77-A84 HydrophobicContact CE2-CB 3.97Å; Y77-V85 WeakPolarHBondContact CA-O 3.5Å; Y77-V85 WeakPolarHBondContact CD2-O 3.2Å; Y77-L86 HydrophobicContact CD2-CB 4.4Å; Y77-L86 HydrophobicContact CD2-CD1 4.06Å; Y77-L86 HydrophobicContact CG-CD1 4.21Å
78F98Very high97Very high0 Ų043.4 Ų43.40%022%0.22CC..EExtended strand (participates in β ladder)trans-148.6162.9-178.267.5-83.7000112.9A8 K9 I10 A23 V24 C27 I76 L80 V85A8-F78 HydrophobicContact CB-CD2 4.09Å; K9-F78 WeakPolarHBondContact O-CA 3.35Å; I10-F78 HydrophobicContact CD1-CB 3.53Å; I10-F78 HydrophobicContact CD1-CG 4.05Å; A23-F78 HydrophobicContact CB-CE1 4.35Å; V24-F78 HydrophobicContact CG2-CD2 4.29Å; V24-F78 HydrophobicContact CG2-CE2 4.18Å; V24-F78 HydrophobicContact CG2-CZ 4.47Å; C27-F78 HydrophobicContact CB-CE2 4Å; C27-F78 HydrophobicContact CB-CZ 3.74Å; I76-F78 HydrophobicContact CD1-CD1 4.01Å; I76-F78 HydrophobicContact CD1-CE1 4.47Å; I76-F78 HydrophobicContact CG1-CD1 3.93Å; I76-F78 HydrophobicContact CG2-CD1 4.16Å; I76-F78 HydrophobicContact CG2-CE1 4.15Å; F78-L80 HydrophobicContact CD2-CB 4.1Å; F78-L80 HydrophobicContact CE2-CB 3.9Å; F78-V85 HydrophobicContact CD1-CB 4.18Å; F78-V85 HydrophobicContact CD2-CB 4.49Å; F78-V85 HydrophobicContact CE1-CB 3.8Å; F78-V85 HydrophobicContact CE1-CG1 3.75Å; F78-V85 HydrophobicContact CE2-CB 4.12Å; F78-V85 HydrophobicContact CE2-CG2 4.17Å; F78-V85 HydrophobicContact CZ-CB 3.78Å; F78-V85 HydrophobicContact CZ-CG1 3.82Å; F78-V85 HydrophobicContact CZ-CG2 4.15Å; F78-V85 PolarHBondContact N-O 3.27Å; F78-V85 PolarHBondContact O-N 3.36Å
79H97.1Very high97.1Very high66 Ų6643.3 Ų43.331%0.30622%0.217SC..EExtended strand (participates in β ladder)trans-107.7133169.9-64.6171000109.8A8 K9 Y77 N83 A84A8-H79 CarbonylContact C-O 3.54Å; A8-H79 WeakPolarHBondContact CA-O 3.3Å; K9-H79 HydrophobicContact CB-CB 4.49Å; K9-H79 PolarHBondContact N-O 3.29Å; K9-H79 PolarHBondContact O-N 2.98Å; Y77-H79 AromaticContact CZ-NE2 3.65Å; Y77-H79 PolarHBondContact OH-NE2 3.06Å; H79-N83 WeakPolarHBondContact CA-O 3.13Å; H79-A84 VanDerWaalsContact CD2-CB 3.47Å; H79-A84 WeakPolarHBondContact CD2-CB 3.44Å
80L96.5Very high97.1Very high5 Ų539.8 Ų39.83%0.02619%0.194CC..EExtended strand (participates in β ladder)trans-139.5129.6170.5-177.964.9000108.6E6 A8 C27 A28 F78 L82 N83E6-L80 WeakPolarHBondContact O-CD1 3.45Å; A8-L80 HydrophobicContact CB-CD1 4.14Å; C27-L80 HydrophobicContact CB-CD2 4.01Å; A28-L80 HydrophobicContact CB-CD2 4.06Å; F78-L80 HydrophobicContact CD2-CB 4.1Å; F78-L80 HydrophobicContact CE2-CB 3.9Å; L80-L82 PolarHBondContact O-N 2.96Å; L80-N83 PolarHBondContact N-O 3.36Å; L80-N83 PolarHBondContact O-N 3.22Å
81Y92.5Very high96.8Very high102 Ų10240.9 Ų40.940%0.420%0.204SC..THydrogen-bonded Turntrans54.2-125.6-168.8-49.5-63.3000112E6 C31E6-Y81 HydrophobicContact CB-CD1 4.22Å; E6-Y81 HydrophobicContact CB-CE1 4.36Å; E6-Y81 VanDerWaalsContact OE2-CA 3.3Å; E6-Y81 WeakPolarHBondContact OE2-CA 3.49Å; E6-Y81 WeakPolarHBondContact OE2-CD1 3.42Å; C31-Y81 HydrophobicContact CB-CD2 3.98Å; C31-Y81 HydrophobicContact CB-CE2 3.92Å
82L89.8Confident96.1Very high136 Ų13648 Ų4871%0.71225%0.251SS*.THydrogen-bonded Turntrans-93.53.8177.2-59.5179.2000113.2L80L80-L82 PolarHBondContact O-N 2.96Å
83N93.4Very high96Very high20 Ų2042.2 Ų42.211%0.10723%0.225CC..EExtended strand (participates in β ladder)trans-108.2133.2-170.5-70.2-17.9000111.1V60 H79 L80 V85V60-N83 HydrophobicContact CG1-CB 4.03Å; H79-N83 WeakPolarHBondContact CA-O 3.13Å; L80-N83 PolarHBondContact N-O 3.36Å; L80-N83 PolarHBondContact O-N 3.22Å; N83-V85 HydrophobicContact CB-CG2 4.5Å
84A97.5Very high95.9Very high4 Ų440.2 Ų40.23%0.03322%0.215CC..EExtended strand (participates in β ladder)trans-88136.7159.700000108.5V60 G61 F64 Y77 H79V60-A84 WeakPolarHBondContact CA-O 3.4Å; G61-A84 PolarHBondContact N-O 3.27Å; G61-A84 WeakPolarHBondContact O-CA 3.24Å; G61-A84 VanDerWaalsContact O-CB 3.3Å; G61-A84 WeakPolarHBondContact O-CB 3.15Å; G61-A84 PolarHBondContact O-N 3.14Å; F64-A84 HydrophobicContact CE1-CB 3.67Å; F64-A84 WeakPolarHBondContact CE1-O 3.47Å; F64-A84 HydrophobicContact CZ-CB 3.91Å; Y77-A84 HydrophobicContact CE2-CB 3.97Å; H79-A84 VanDerWaalsContact CD2-CB 3.47Å; H79-A84 WeakPolarHBondContact CD2-CB 3.44Å
85V98.6Very high95.8Very high0 Ų042.3 Ų42.30%023%0.226CC..EExtended strand (participates in β ladder)trans-128.3124.4-175.8-175.20000108.5I44 I59 V60 Y77 F78 N83I44-V85 HydrophobicContact CD1-CG1 4.3Å; I59-V85 WeakPolarHBondContact O-CA 3.5Å; V60-V85 HydrophobicContact CG2-CG1 4.28Å; V60-V85 HydrophobicContact CG2-CG2 4.27Å; Y77-V85 WeakPolarHBondContact CA-O 3.5Å; Y77-V85 WeakPolarHBondContact CD2-O 3.2Å; F78-V85 HydrophobicContact CD1-CB 4.18Å; F78-V85 HydrophobicContact CD2-CB 4.49Å; F78-V85 HydrophobicContact CE1-CB 3.8Å; F78-V85 HydrophobicContact CE1-CG1 3.75Å; F78-V85 HydrophobicContact CE2-CB 4.12Å; F78-V85 HydrophobicContact CE2-CG2 4.17Å; F78-V85 HydrophobicContact CZ-CB 3.78Å; F78-V85 HydrophobicContact CZ-CG1 3.82Å; F78-V85 HydrophobicContact CZ-CG2 4.15Å; F78-V85 PolarHBondContact N-O 3.27Å; F78-V85 PolarHBondContact O-N 3.36Å; N83-V85 HydrophobicContact CB-CG2 4.5Å
86L98.7Very high95.6Very high0 Ų043.2 Ų43.20%023%0.232CC..EExtended strand (participates in β ladder)trans-113.6119.2170.2-172.574.4000108C58 I59 F64 C66 V68 F75 Y77 F88C58-L86 CarbonylContact C-O 3.59Å; C58-L86 VanDerWaalsContact CA-O 3.3Å; C58-L86 WeakPolarHBondContact CA-O 3.39Å; I59-L86 HydrophobicContact CB-CB 4.23Å; I59-L86 HydrophobicContact CD1-CD2 3.97Å; I59-L86 PolarHBondContact N-O 3.2Å; I59-L86 PolarHBondContact O-N 3.45Å; F64-L86 HydrophobicContact CE2-CB 3.93Å; F64-L86 HydrophobicContact CZ-CB 3.97Å; C66-L86 HydrophobicContact CB-CD2 3.72Å; V68-L86 HydrophobicContact CG1-CD2 4.31Å; V68-L86 HydrophobicContact CG2-CD2 4.37Å; F75-L86 HydrophobicContact CD2-CD1 4.34Å; F75-L86 HydrophobicContact CE2-CD1 3.45Å; F75-L86 VanDerWaalsContact CE2-CD1 3.45Å; F75-L86 HydrophobicContact CE2-CG 4.41Å; F75-L86 HydrophobicContact CZ-CD1 3.57Å; Y77-L86 HydrophobicContact CD2-CB 4.4Å; Y77-L86 HydrophobicContact CD2-CD1 4.06Å; Y77-L86 HydrophobicContact CG-CD1 4.21Å; L86-F88 HydrophobicContact CD2-CD1 4.07Å; L86-F88 HydrophobicContact CD2-CE1 3.93Å; L86-F88 HydrophobicContact CG-CD1 4.05Å; L86-F88 HydrophobicContact CG-CE1 4.37Å
87L98.9Very high95.4Very high0 Ų045.9 Ų45.90%025%0.247CC..EExtended strand (participates in β ladder)trans-126.9125.5178.7173.367.5000108.6M15 A23 I44 F48 W56 Q57 C58 I76M15-L87 HydrophobicContact CE-CD2 4.31Å; M15-L87 HydrophobicContact CE-CG 4.25Å; A23-L87 HydrophobicContact CB-CD2 4.01Å; I44-L87 HydrophobicContact CG2-CD1 4.06Å; I44-L87 HydrophobicContact CG2-CD2 3.82Å; I44-L87 HydrophobicContact CG2-CG 4.47Å; F48-L87 HydrophobicContact CD1-CD2 3.77Å; F48-L87 HydrophobicContact CD1-CG 4.45Å; F48-L87 HydrophobicContact CD2-CD2 3.82Å; F48-L87 HydrophobicContact CE1-CD2 3.63Å; F48-L87 HydrophobicContact CE2-CD2 3.71Å; F48-L87 HydrophobicContact CG-CD1 4.4Å; F48-L87 HydrophobicContact CG-CD2 3.87Å; F48-L87 HydrophobicContact CZ-CD2 3.62Å; W56-L87 HydrophobicContact CE3-CD1 3.75Å; W56-L87 HydrophobicContact CE3-CG 3.94Å; W56-L87 HydrophobicContact CZ3-CD1 4.42Å; W56-L87 HydrophobicContact CZ3-CG 4.11Å; Q57-L87 WeakPolarHBondContact O-CA 3.35Å; C58-L87 HydrophobicContact CB-CD1 3.99Å; I76-L87 HydrophobicContact CG2-CB 3.83Å; I76-L87 HydrophobicContact CG2-CD2 4.27Å; I76-L87 HydrophobicContact CG2-CG 4.42Å; I76-L87 PolarHBondContact N-O 3.13Å; I76-L87 PolarHBondContact O-N 3.25Å
88F98.6Very high95.2Very high18 Ų1845.3 Ų45.38%0.07925%0.248CC..EExtended strand (participates in β ladder)trans-150.2152.117964.9-81.2000113.3W56 Q57 V68 H70 S74 F75 L86W56-F88 CarbonylContact C-O 3.58Å; W56-F88 WeakPolarHBondContact CA-O 3.27Å; Q57-F88 HydrophobicContact CB-CD1 4.16Å; Q57-F88 HydrophobicContact CB-CD2 4.32Å; Q57-F88 HydrophobicContact CB-CE1 3.66Å; Q57-F88 HydrophobicContact CB-CE2 3.84Å; Q57-F88 HydrophobicContact CB-CG 4.48Å; Q57-F88 HydrophobicContact CB-CZ 3.48Å; Q57-F88 VanDerWaalsContact CB-CZ 3.48Å; Q57-F88 HydrophobicContact CG-CE2 3.95Å; Q57-F88 HydrophobicContact CG-CZ 3.92Å; Q57-F88 PolarHBondContact N-O 3.16Å; Q57-F88 PolarHBondContact O-N 3.47Å; V68-F88 HydrophobicContact CB-CE1 4.27Å; V68-F88 HydrophobicContact CB-CE2 4.07Å; V68-F88 HydrophobicContact CB-CZ 3.92Å; V68-F88 HydrophobicContact CG1-CE1 4Å; V68-F88 HydrophobicContact CG1-CE2 4.43Å; V68-F88 HydrophobicContact CG1-CZ 3.79Å; V68-F88 HydrophobicContact CG2-CD1 4.12Å; V68-F88 HydrophobicContact CG2-CD2 4.29Å; V68-F88 HydrophobicContact CG2-CE1 4.12Å; V68-F88 HydrophobicContact CG2-CE2 4.29Å; V68-F88 HydrophobicContact CG2-CG 4.2Å; V68-F88 HydrophobicContact CG2-CZ 4.19Å; H70-F88 HydrophobicContact CB-CB 3.91Å; H70-F88 HydrophobicContact CB-CD2 3.92Å; H70-F88 HydrophobicContact CB-CG 4.31Å; S74-F88 WeakPolarHBondContact O-CA 3.46Å; F75-F88 HydrophobicContact CB-CB 4.31Å; F75-F88 HydrophobicContact CD2-CB 4.01Å; L86-F88 HydrophobicContact CD2-CD1 4.07Å; L86-F88 HydrophobicContact CD2-CE1 3.93Å; L86-F88 HydrophobicContact CG-CD1 4.05Å; L86-F88 HydrophobicContact CG-CE1 4.37Å
89Q98.5Very high95Very high40 Ų4048.5 Ų48.519%0.18727%0.266CS..EExtended strand (participates in β ladder)trans-86125.5168.6-170.2-176.758.700109.3G53 W56 H70 T71 S74G53-Q89 PolarHBondContact O-NE2 3.39Å; W56-Q89 HydrophobicContact CD2-CB 3.95Å; W56-Q89 HydrophobicContact CD2-CG 4.46Å; W56-Q89 HydrophobicContact CE3-CB 4.12Å; W56-Q89 HydrophobicContact CH2-CB 3.91Å; W56-Q89 HydrophobicContact CZ2-CB 3.79Å; W56-Q89 HydrophobicContact CZ2-CG 4.36Å; W56-Q89 HydrophobicContact CZ3-CB 4.1Å; H70-Q89 VanDerWaalsContact CA-O 3.26Å; H70-Q89 WeakPolarHBondContact CA-O 3.34Å; H70-Q89 WeakPolarHBondContact CB-O 3.5Å; T71-Q89 HydrophobicContact CG2-CG 4.45Å; T71-Q89 PolarHBondContact N-O 3.13Å; T71-Q89 VanDerWaalsContact N-O 3.08Å; T71-Q89 WeakPolarHBondContact OG1-CB 3.12Å; T71-Q89 PolarHBondContact OG1-OE1 2.83Å; S74-Q89 PolarHBondContact O-N 2.87Å; S74-Q89 WeakPolarHBondContact OG-CB 3.3Å; S74-Q89 PolarHBondContact OG-N 3.12Å
90A96.7Very high94.9Very high24 Ų2447.2 Ų47.220%0.19826%0.263CS..PPolyproline II helixtrans-68.4143.5178.700000110.8T55 Q57T55-A90 HydrophobicContact CG2-CB 4.49Å; T55-A90 WeakPolarHBondContact O-CB 3.36Å; T55-A90 PolarHBondContact O-N 2.92Å; Q57-A90 HydrophobicContact CG-CB 4.16Å
91V92.1Very high94.7Very high82 Ų8250.7 Ų50.750%0.49728%0.283SS..PPolyproline II helixtrans-63.2131.1167.5-174.70000108.1
92P81.8Confident94.9Very high182 Ų18246 Ų46100%1.18227%0.272SS*.  trans-56.40177.4-24.533.8000114.4

Retrieved 92 of 92 residues in 83.1 ms (Link to these results)

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