G4VR86_SCHMA Loading...

Putative calmodulin-3 (CaM-3)

AlphaFold DB , UniProt , Accession G4VR86, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 73 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
1M52.2Low75.9Confident202 Ų202107.5 Ų107.5100%0.99554%0.538SS*.  0-180-166.9169.2-8000111.8
2E62.9Low76.6Confident122 Ų122107.8 Ų107.857%0.5754%0.539SS*.Hα-helixtrans-82.4-21.8-167.6-57.9166.9100.800115.5L4 D5 V6 L66E2-L4 VanDerWaalsContact C-N 3.26Å; E2-L4 PolarHBondContact O-N 2.98Å; E2-D5 PolarHBondContact O-N 3.41Å; E2-V6 PolarHBondContact O-N 3.07Å; E2-L66 HydrophobicContact CB-CD1 3.85Å
3E69.4Low77Confident132 Ų132100.8 Ų100.862%0.61750%0.504SS*.Hα-helixtrans-63.4-31-177.9-66.6168.785.600113.3K7E3-K7 VanDerWaalsContact O-CB 3.29Å; E3-K7 WeakPolarHBondContact O-CB 3.37Å; E3-K7 PolarHBondContact O-N 3.28Å
4L74.6Confident77.5Confident132 Ų13294.2 Ų94.269%0.69147%0.471SS*.Hα-helixtrans-68.5-46.2-178.5-67.1177000111.5E2 V6 K7 E8E2-L4 VanDerWaalsContact C-N 3.26Å; E2-L4 PolarHBondContact O-N 2.98Å; L4-V6 VanDerWaalsContact C-N 3.34Å; L4-V6 PolarHBondContact O-N 3.29Å; L4-K7 PolarHBondContact O-N 2.98Å; L4-E8 PolarHBondContact O-N 3.04Å
5D80.4Confident77.5Confident112 Ų11299.3 Ų99.360%0.59949%0.489SS*.Hα-helixtrans-61.4-43.5178.2-70.4-71.7000111.6E2 E8 M9E2-D5 PolarHBondContact O-N 3.41Å; D5-E8 PolarHBondContact O-N 3.46Å; D5-M9 WeakPolarHBondContact O-CB 3.21Å; D5-M9 PolarHBondContact O-N 3.44Å
6V78.8Confident77.6Confident20 Ų20103.8 Ų103.812%0.12151%0.505CS..Hα-helixtrans-62-46.8176.1175.40000110.8E2 L4 E8 M9 F10 L59 L62 L66E2-V6 PolarHBondContact O-N 3.07Å; L4-V6 VanDerWaalsContact C-N 3.34Å; L4-V6 PolarHBondContact O-N 3.29Å; V6-E8 VanDerWaalsContact C-N 3.33Å; V6-E8 PolarHBondContact O-N 3.44Å; V6-M9 PolarHBondContact O-N 3.36Å; V6-F10 WeakPolarHBondContact O-CA 3.46Å; V6-F10 WeakPolarHBondContact O-CB 3.4Å; V6-F10 PolarHBondContact O-N 2.9Å; V6-L59 HydrophobicContact CG1-CD1 3.97Å; V6-L62 HydrophobicContact CG1-CB 3.43Å; V6-L62 VanDerWaalsContact CG1-CB 3.43Å; V6-L62 HydrophobicContact CG1-CD1 3.8Å; V6-L62 HydrophobicContact CG1-CG 4.2Å; V6-L66 HydrophobicContact CG2-CD1 3.2Å; V6-L66 HydrophobicContact CG2-CG 4.13Å
7K83.1Confident77.3Confident132 Ų132108.4 Ų108.457%0.57453%0.526SS*.Hα-helixtrans-63.7-39.5-178.5-174.6177.6179.6178.90111.9E3 L4 F10 C11 L59E3-K7 VanDerWaalsContact O-CB 3.29Å; E3-K7 WeakPolarHBondContact O-CB 3.37Å; E3-K7 PolarHBondContact O-N 3.28Å; L4-K7 PolarHBondContact O-N 2.98Å; K7-F10 WeakPolarHBondContact O-CB 3.27Å; K7-F10 PolarHBondContact O-N 2.96Å; K7-C11 WeakPolarHBondContact O-CB 3.3Å; K7-C11 PolarHBondContact O-N 3.13Å; K7-L59 HydrophobicContact CB-CD1 4.4Å
8E85.2Confident77.5Confident124 Ų124109.1 Ų109.158%0.57952%0.522SS*.Hα-helixtrans-65.8-50.4176.8-175.9168.810900111L4 D5 V6 F10 C11 M12L4-E8 PolarHBondContact O-N 3.04Å; D5-E8 PolarHBondContact O-N 3.46Å; V6-E8 VanDerWaalsContact C-N 3.33Å; V6-E8 PolarHBondContact O-N 3.44Å; E8-F10 PolarHBondContact O-N 3.48Å; E8-C11 PolarHBondContact O-N 3.28Å; E8-C11 VanDerWaalsContact O-N 3.13Å; E8-M12 HydrophobicContact CG-CE 3.66Å; E8-M12 WeakPolarHBondContact O-CG 3.47Å; E8-M12 PolarHBondContact O-N 3.15Å
9M82.2Confident77.8Confident97 Ų97105.5 Ų105.548%0.47852%0.516SS..Hα-helixtrans-60.1-36.6175.9-171.1156.1-168.900111.6D5 V6 M12 I13 F29D5-M9 WeakPolarHBondContact O-CB 3.21Å; D5-M9 PolarHBondContact O-N 3.44Å; V6-M9 PolarHBondContact O-N 3.36Å; M9-M12 PolarHBondContact O-N 2.94Å; M9-I13 HydrophobicContact CE-CD1 4.41Å; M9-I13 HydrophobicContact CG-CD1 4Å; M9-I13 VanDerWaalsContact O-CG1 3.3Å; M9-I13 WeakPolarHBondContact O-CG1 3.24Å; M9-I13 PolarHBondContact O-N 2.88Å; M9-I13 VanDerWaalsContact O-N 3.15Å; M9-F29 HydrophobicContact CE-CE1 3.73Å; M9-F29 HydrophobicContact CE-CZ 3.87Å
10F82.9Confident78.1Confident18 Ų18104.6 Ų104.68%0.07951%0.507CS..Hα-helixtrans-63.4-46.2175.6-172.3-94.1000112.1V6 K7 E8 M12 I13 D14 G19 I21 L57 L59 L62V6-F10 WeakPolarHBondContact O-CA 3.46Å; V6-F10 WeakPolarHBondContact O-CB 3.4Å; V6-F10 PolarHBondContact O-N 2.9Å; K7-F10 WeakPolarHBondContact O-CB 3.27Å; K7-F10 PolarHBondContact O-N 2.96Å; E8-F10 PolarHBondContact O-N 3.48Å; F10-M12 VanDerWaalsContact C-N 3.31Å; F10-M12 PolarHBondContact O-N 3.43Å; F10-I13 PolarHBondContact O-N 2.69Å; F10-D14 HydrophobicContact CD1-CB 4.34Å; F10-D14 HydrophobicContact CE1-CB 4.21Å; F10-D14 VanDerWaalsContact O-CB 3.27Å; F10-D14 WeakPolarHBondContact O-CB 3.29Å; F10-D14 PolarHBondContact O-N 2.8Å; F10-G19 WeakPolarHBondContact CZ-O 3.3Å; F10-I21 HydrophobicContact CB-CD1 4.46Å; F10-I21 HydrophobicContact CD2-CD1 3.3Å; F10-I21 HydrophobicContact CD2-CG1 3.71Å; F10-I21 HydrophobicContact CE2-CB 4.46Å; F10-I21 HydrophobicContact CE2-CD1 3.76Å; F10-I21 HydrophobicContact CE2-CG1 3.65Å; F10-I21 HydrophobicContact CG-CD1 4.06Å; F10-I21 HydrophobicContact CG-CG1 4.49Å; F10-I21 HydrophobicContact CZ-CG1 4.38Å; F10-L57 WeakPolarHBondContact CE2-O 3.47Å; F10-L59 HydrophobicContact CZ-CB 4.46Å; F10-L62 HydrophobicContact CD2-CD1 3.61Å; F10-L62 HydrophobicContact CE2-CD1 4.23Å
11C83.7Confident78.5Confident91 Ų9199.9 Ų99.962%0.61548%0.484SS*.Hα-helixtrans-63.8-36.5176.9-168.30000112.1K7 E8 I13K7-C11 WeakPolarHBondContact O-CB 3.3Å; K7-C11 PolarHBondContact O-N 3.13Å; E8-C11 PolarHBondContact O-N 3.28Å; E8-C11 VanDerWaalsContact O-N 3.13Å; C11-I13 VanDerWaalsContact C-N 3.33Å; C11-I13 PolarHBondContact O-N 2.98Å
12M83.7Confident80.1Confident112 Ų11291.5 Ų91.555%0.55245%0.445SS*.Hα-helixtrans-64.6-37.4176.7-70.3179-176.800112.6E8 M9 F10E8-M12 HydrophobicContact CG-CE 3.66Å; E8-M12 WeakPolarHBondContact O-CG 3.47Å; E8-M12 PolarHBondContact O-N 3.15Å; M9-M12 PolarHBondContact O-N 2.94Å; F10-M12 VanDerWaalsContact C-N 3.31Å; F10-M12 PolarHBondContact O-N 3.43Å
13I82.2Confident81.1Confident17 Ų1787.5 Ų87.59%0.08743%0.43CS..Hα-helixtrans-84-40.2-179.2-60.2165.6000110.9M9 F10 C11 K15 I21 Q25 F29M9-I13 HydrophobicContact CE-CD1 4.41Å; M9-I13 HydrophobicContact CG-CD1 4Å; M9-I13 VanDerWaalsContact O-CG1 3.3Å; M9-I13 WeakPolarHBondContact O-CG1 3.24Å; M9-I13 PolarHBondContact O-N 2.88Å; M9-I13 VanDerWaalsContact O-N 3.15Å; F10-I13 PolarHBondContact O-N 2.69Å; C11-I13 VanDerWaalsContact C-N 3.33Å; C11-I13 PolarHBondContact O-N 2.98Å; I13-K15 VanDerWaalsContact C-N 3.28Å; I13-K15 PolarHBondContact O-N 3.1Å; I13-I21 HydrophobicContact CB-CD1 3.77Å; I13-I21 HydrophobicContact CB-CG1 4.17Å; I13-I21 HydrophobicContact CD1-CD1 3.97Å; I13-I21 HydrophobicContact CG1-CD1 4.47Å; I13-I21 HydrophobicContact CG2-CB 4.38Å; I13-I21 HydrophobicContact CG2-CD1 3.83Å; I13-I21 HydrophobicContact CG2-CG1 3.87Å; I13-I21 HydrophobicContact CG2-CG2 3.63Å; I13-Q25 HydrophobicContact CG2-CB 3.99Å; I13-F29 HydrophobicContact CD1-CD1 4.41Å; I13-F29 HydrophobicContact CD1-CD2 4.47Å; I13-F29 HydrophobicContact CD1-CG 4.29Å; I13-F29 HydrophobicContact CG1-CB 4.28Å; I13-F29 HydrophobicContact CG1-CD2 3.75Å; I13-F29 HydrophobicContact CG1-CE2 4.18Å; I13-F29 HydrophobicContact CG1-CG 3.93Å
14D84.4Confident81.8Confident8 Ų889.3 Ų89.34%0.04344%0.436CS..  trans-85.161.2-178.1-165.6-127.3000113.1F10 K16 Q17 R18 G19 I21 Q25F10-D14 HydrophobicContact CD1-CB 4.34Å; F10-D14 HydrophobicContact CE1-CB 4.21Å; F10-D14 VanDerWaalsContact O-CB 3.27Å; F10-D14 WeakPolarHBondContact O-CB 3.29Å; F10-D14 PolarHBondContact O-N 2.8Å; D14-K16 PolarHBondContact O-N 3.23Å; D14-Q17 PolarHBondContact O-N 3.45Å; D14-Q17 VanDerWaalsContact OD1-C 3.24Å; D14-Q17 WeakPolarHBondContact OD1-CA 3.5Å; D14-Q17 PolarHBondContact OD1-N 3.28Å; D14-R18 PolarHBondContact OD1-N 2.93Å; D14-G19 PolarHBondContact OD1-N 2.9Å; D14-I21 HydrophobicContact CB-CG1 4.33Å; D14-Q25 PolarHBondContact OD2-NE2 3.36Å
15K77.1Confident82.3Confident170 Ų17084.7 Ų84.774%0.73941%0.41SS*.THydrogen-bonded Turntrans-55.4-21.8174.2-63.2-171.8176-169.90114.4I13 Q17I13-K15 VanDerWaalsContact C-N 3.28Å; I13-K15 PolarHBondContact O-N 3.1Å; K15-Q17 VanDerWaalsContact C-N 3.31Å
16K78.4Confident82.5Confident172 Ų17280 Ų8075%0.74839%0.386SS*.THydrogen-bonded Turntrans-85.1-2.3-179.3-69.1-165174.2-167.90113.2D14 R18D14-K16 PolarHBondContact O-N 3.23Å; K16-R18 HydrophobicContact CB-CB 4.48Å; K16-R18 PolarHBondContact O-N 3.5Å; K16-R18 VanDerWaalsContact O-N 3.07Å
17Q73.8Confident82.7Confident182 Ų18282.9 Ų82.985%0.8539%0.394SS*.  trans47.737.3-176.2-61.2-175.49000112.3D14 K15 G19D14-Q17 PolarHBondContact O-N 3.45Å; D14-Q17 VanDerWaalsContact OD1-C 3.24Å; D14-Q17 WeakPolarHBondContact OD1-CA 3.5Å; D14-Q17 PolarHBondContact OD1-N 3.28Å; K15-Q17 VanDerWaalsContact C-N 3.31Å; Q17-G19 VanDerWaalsContact C-N 3.25Å
18R79.7Confident82.8Confident120 Ų12080.2 Ų80.245%0.45339%0.392SS..  trans-80.3-14.8179.9-157.5-178.4179.7-176-0.2111D14 K16 R20D14-R18 PolarHBondContact OD1-N 2.93Å; K16-R18 HydrophobicContact CB-CB 4.48Å; K16-R18 PolarHBondContact O-N 3.5Å; K16-R18 VanDerWaalsContact O-N 3.07Å; R18-R20 HydrophobicContact CB-CG 4.17Å; R18-R20 HydrophobicContact CG-CG 3.86Å; R18-R20 VanDerWaalsContact NE-NE 3.2Å; R18-R20 PolarHBondContact O-N 2.9Å; R18-R20 PolarHBondContact O-NH1 3.5Å
19G82.9Confident82.7Confident41 Ų4176.6 Ų76.642%0.42338%0.375SS..SBendtrans70.322.4-17300000112F10 D14 Q17F10-G19 WeakPolarHBondContact CZ-O 3.3Å; D14-G19 PolarHBondContact OD1-N 2.9Å; Q17-G19 VanDerWaalsContact C-N 3.25Å
20R84.8Confident82.7Confident88 Ų8873.5 Ų73.533%0.33236%0.36SS..EExtended strand (participates in β ladder)trans-161.7129.7177.652.6-161.9-177.7-92.613.7113.1R18 Q25 K56 L57 T58R18-R20 HydrophobicContact CB-CG 4.17Å; R18-R20 HydrophobicContact CG-CG 3.86Å; R18-R20 VanDerWaalsContact NE-NE 3.2Å; R18-R20 PolarHBondContact O-N 2.9Å; R18-R20 PolarHBondContact O-NH1 3.5Å; R20-Q25 PolarHBondContact O-OE1 2.87Å; R20-K56 HydrophobicContact CB-CB 4.47Å; R20-K56 HydrophobicContact CG-CD 4.27Å; R20-L57 CarbonylContact C-O 3.51Å; R20-L57 WeakPolarHBondContact CA-O 3.42Å; R20-T58 HydrophobicContact CB-CG2 4.14Å
21I86.8Confident82.7Confident5 Ų580.4 Ų80.43%0.02639%0.385CS..EExtended strand (participates in β ladder)trans-91.1113.7178.6-63.8170000109.9F10 I13 D14 Q25 L26 K56 L57F10-I21 HydrophobicContact CB-CD1 4.46Å; F10-I21 HydrophobicContact CD2-CD1 3.3Å; F10-I21 HydrophobicContact CD2-CG1 3.71Å; F10-I21 HydrophobicContact CE2-CB 4.46Å; F10-I21 HydrophobicContact CE2-CD1 3.76Å; F10-I21 HydrophobicContact CE2-CG1 3.65Å; F10-I21 HydrophobicContact CG-CD1 4.06Å; F10-I21 HydrophobicContact CG-CG1 4.49Å; F10-I21 HydrophobicContact CZ-CG1 4.38Å; I13-I21 HydrophobicContact CB-CD1 3.77Å; I13-I21 HydrophobicContact CB-CG1 4.17Å; I13-I21 HydrophobicContact CD1-CD1 3.97Å; I13-I21 HydrophobicContact CG1-CD1 4.47Å; I13-I21 HydrophobicContact CG2-CB 4.38Å; I13-I21 HydrophobicContact CG2-CD1 3.83Å; I13-I21 HydrophobicContact CG2-CG1 3.87Å; I13-I21 HydrophobicContact CG2-CG2 3.63Å; D14-I21 HydrophobicContact CB-CG1 4.33Å; I21-Q25 HydrophobicContact CG2-CB 4.04Å; I21-L26 HydrophobicContact CG2-CB 4.06Å; I21-K56 CarbonylContact O-C 3.56Å; I21-K56 VanDerWaalsContact O-CA 3.28Å; I21-K56 WeakPolarHBondContact O-CA 3.42Å; I21-L57 HydrophobicContact CB-CB 4.34Å; I21-L57 PolarHBondContact N-O 3.05Å; I21-L57 PolarHBondContact O-N 3.37Å
22T85Confident82.6Confident27 Ų2783.9 Ų83.917%0.16639%0.39CS..EExtended strand (participates in β ladder)trans-76156173.560.10000112K24 Q25 L26 K56T22-K24 PolarHBondContact O-N 3.21Å; T22-Q25 PolarHBondContact O-N 3.3Å; T22-Q25 PolarHBondContact OG1-N 3.01Å; T22-Q25 PolarHBondContact OG1-OE1 3.28Å; T22-L26 PolarHBondContact O-N 3.45Å; T22-K56 HydrophobicContact CG2-CD 3.96Å; T22-K56 HydrophobicContact CG2-CG 3.99Å
23C84.4Confident82.4Confident38 Ų3884.3 Ų84.326%0.25739%0.391SS..Hα-helixtrans-45.5-33.9166.7-75.10000113.3R27 G55C23-R27 WeakPolarHBondContact O-CB 3.41Å; C23-R27 PolarHBondContact O-N 3.36Å; C23-G55 PolarHBondContact N-O 3.05Å; C23-G55 PolarHBondContact SG-O 3.43Å
24K84.1Confident82Confident170 Ų17090.1 Ų90.174%0.73942%0.422SS*.Hα-helixtrans-69.4-43.6178-70.3180-178.8173.80112.1T22 R27 S28T22-K24 PolarHBondContact O-N 3.21Å; K24-R27 PolarHBondContact O-N 3.42Å; K24-S28 WeakPolarHBondContact O-CB 3.36Å; K24-S28 PolarHBondContact O-N 3.46Å
25Q85Confident81.5Confident34 Ų3491.1 Ų91.116%0.15943%0.431CS..Hα-helixtrans-65.9-46.9177.1-77.8163.2-75.800110.9I13 D14 R20 I21 T22 R27 S28 F29I13-Q25 HydrophobicContact CG2-CB 3.99Å; D14-Q25 PolarHBondContact OD2-NE2 3.36Å; R20-Q25 PolarHBondContact O-OE1 2.87Å; I21-Q25 HydrophobicContact CG2-CB 4.04Å; T22-Q25 PolarHBondContact O-N 3.3Å; T22-Q25 PolarHBondContact OG1-N 3.01Å; T22-Q25 PolarHBondContact OG1-OE1 3.28Å; Q25-R27 VanDerWaalsContact C-N 3.34Å; Q25-R27 PolarHBondContact O-N 3.47Å; Q25-S28 WeakPolarHBondContact O-CA 3.29Å; Q25-S28 WeakPolarHBondContact O-CB 3.5Å; Q25-S28 PolarHBondContact O-N 2.93Å; Q25-F29 PolarHBondContact O-N 3.42Å
26L84.2Confident81.2Confident15 Ų1592.8 Ų92.88%0.07944%0.438CS..Hα-helixtrans-59.9-44.7176.1-174.865000111.4I21 T22 S28 F29 L30 V42 Y45 V46 L57I21-L26 HydrophobicContact CG2-CB 4.06Å; T22-L26 PolarHBondContact O-N 3.45Å; L26-S28 VanDerWaalsContact C-N 3.28Å; L26-S28 PolarHBondContact O-N 3.24Å; L26-F29 WeakPolarHBondContact O-CB 3.08Å; L26-F29 PolarHBondContact O-N 2.98Å; L26-L30 HydrophobicContact CG-CD1 4.15Å; L26-L30 WeakPolarHBondContact O-CG 3.48Å; L26-L30 PolarHBondContact O-N 3.45Å; L26-V42 HydrophobicContact CB-CG1 4.45Å; L26-V42 HydrophobicContact CD2-CG1 4.01Å; L26-V42 HydrophobicContact CG-CG1 4.28Å; L26-Y45 HydrophobicContact CD2-CD1 3.77Å; L26-Y45 HydrophobicContact CD2-CE1 4.19Å; L26-V46 HydrophobicContact CD2-CG2 3.55Å; L26-L57 HydrophobicContact CD2-CD1 4.46Å
27R84Confident81Confident79 Ų7989.7 Ų89.730%0.29843%0.425SS..Hα-helixtrans-60-38.3173.7176.5176.3165.6-108.3-3.9112.4C23 K24 Q25 R31 V42C23-R27 WeakPolarHBondContact O-CB 3.41Å; C23-R27 PolarHBondContact O-N 3.36Å; K24-R27 PolarHBondContact O-N 3.42Å; Q25-R27 VanDerWaalsContact C-N 3.34Å; Q25-R27 PolarHBondContact O-N 3.47Å; R27-R31 WeakPolarHBondContact O-CB 3.46Å; R27-R31 WeakPolarHBondContact O-CG 3.37Å; R27-R31 PolarHBondContact O-N 3.46Å; R27-V42 HydrophobicContact CB-CG1 4.35Å
28S84.2Confident81.4Confident77 Ų7784.4 Ų84.454%0.53841%0.408SS..Hα-helixtrans-67.3-39.7177.4-1660000111.4K24 Q25 L26 K32K24-S28 WeakPolarHBondContact O-CB 3.36Å; K24-S28 PolarHBondContact O-N 3.46Å; Q25-S28 WeakPolarHBondContact O-CA 3.29Å; Q25-S28 WeakPolarHBondContact O-CB 3.5Å; Q25-S28 PolarHBondContact O-N 2.93Å; L26-S28 VanDerWaalsContact C-N 3.28Å; L26-S28 PolarHBondContact O-N 3.24Å; S28-K32 WeakPolarHBondContact O-CB 3.32Å; S28-K32 PolarHBondContact O-N 3Å
29F83.1Confident81.3Confident47 Ų4787.2 Ų87.221%0.20642%0.419CS..Hα-helixtrans-63.4-51.6174.5179.5-95.7000111M9 I13 Q25 L26 R31 K32 H33M9-F29 HydrophobicContact CE-CE1 3.73Å; M9-F29 HydrophobicContact CE-CZ 3.87Å; I13-F29 HydrophobicContact CD1-CD1 4.41Å; I13-F29 HydrophobicContact CD1-CD2 4.47Å; I13-F29 HydrophobicContact CD1-CG 4.29Å; I13-F29 HydrophobicContact CG1-CB 4.28Å; I13-F29 HydrophobicContact CG1-CD2 3.75Å; I13-F29 HydrophobicContact CG1-CE2 4.18Å; I13-F29 HydrophobicContact CG1-CG 3.93Å; Q25-F29 PolarHBondContact O-N 3.42Å; L26-F29 WeakPolarHBondContact O-CB 3.08Å; L26-F29 PolarHBondContact O-N 2.98Å; F29-R31 VanDerWaalsContact C-N 3.28Å; F29-R31 PolarHBondContact O-N 2.77Å; F29-K32 WeakPolarHBondContact O-CA 3.4Å; F29-K32 VanDerWaalsContact O-CB 3.3Å; F29-K32 WeakPolarHBondContact O-CB 3.37Å; F29-K32 PolarHBondContact O-N 2.76Å; F29-H33 AromaticContact CE1-CD2 3.67Å; F29-H33 AromaticContact CE1-NE2 3.94Å; F29-H33 AromaticContact CE2-CD2 3.66Å; F29-H33 AromaticContact CE2-NE2 3.29Å; F29-H33 VanDerWaalsContact CE2-NE2 3.29Å; F29-H33 WeakPolarHBondContact CE2-NE2 3.4Å; F29-H33 AromaticContact CZ-CD2 3.47Å; F29-H33 VanDerWaalsContact CZ-CD2 3.47Å; F29-H33 WeakPolarHBondContact CZ-CD2 3.44Å; F29-H33 AromaticContact CZ-NE2 3.24Å; F29-H33 WeakPolarHBondContact CZ-NE2 3.48Å; F29-H33 PolarHBondContact O-CD2 2.97Å; F29-H33 PolarHBondContact O-N 2.97Å; F29-H33 VanDerWaalsContact O-N 3.1Å
30L83.1Confident81.4Confident32 Ų3294.1 Ų94.117%0.16843%0.432CS..Hα-helixtrans-57.8-40.6177.2-70.4168.6000112.3L26 K32 H33 D34 A35 F37 V42L26-L30 HydrophobicContact CG-CD1 4.15Å; L26-L30 WeakPolarHBondContact O-CG 3.48Å; L26-L30 PolarHBondContact O-N 3.45Å; L30-K32 VanDerWaalsContact C-N 3.32Å; L30-K32 PolarHBondContact O-N 3.02Å; L30-H33 CarbonylContact O-C 3.48Å; L30-H33 PolarHBondContact O-N 3.24Å; L30-D34 PolarHBondContact O-N 2.81Å; L30-A35 HydrophobicContact CB-CB 4.43Å; L30-A35 HydrophobicContact CD2-CB 4.39Å; L30-A35 WeakPolarHBondContact O-CB 3.15Å; L30-A35 PolarHBondContact O-N 2.96Å; L30-F37 HydrophobicContact CB-CD2 4.16Å; L30-F37 HydrophobicContact CD1-CB 4.12Å; L30-F37 HydrophobicContact CD1-CD2 3.91Å; L30-F37 HydrophobicContact CD1-CG 4.02Å; L30-F37 HydrophobicContact CD2-CD2 3.74Å; L30-F37 HydrophobicContact CD2-CE2 3.71Å; L30-F37 HydrophobicContact CG-CD2 4.15Å; L30-V42 HydrophobicContact CD1-CG1 4.43Å; L30-V42 HydrophobicContact CD1-CG2 3.76Å
31R81.9Confident81.4Confident163 Ų16392.7 Ų92.762%0.61544%0.436SS*.Hα-helixtrans-63.6-35.3173-83.6-176.9171.5-100.3-6.5113.5R27 F29 H33 D34R27-R31 WeakPolarHBondContact O-CB 3.46Å; R27-R31 WeakPolarHBondContact O-CG 3.37Å; R27-R31 PolarHBondContact O-N 3.46Å; F29-R31 VanDerWaalsContact C-N 3.28Å; F29-R31 PolarHBondContact O-N 2.77Å; R31-H33 VanDerWaalsContact C-N 3.25Å; R31-H33 PolarHBondContact O-N 2.96Å; R31-D34 PolarHBondContact O-N 3.25Å
32K81.1Confident81.3Confident165 Ų16592.7 Ų92.772%0.71744%0.436SS*.Hα-helixtrans-66.7-31.7176.6-170.4178.5176.7-168.50111.4S28 F29 L30 D34S28-K32 WeakPolarHBondContact O-CB 3.32Å; S28-K32 PolarHBondContact O-N 3Å; F29-K32 WeakPolarHBondContact O-CA 3.4Å; F29-K32 VanDerWaalsContact O-CB 3.3Å; F29-K32 WeakPolarHBondContact O-CB 3.37Å; F29-K32 PolarHBondContact O-N 2.76Å; L30-K32 VanDerWaalsContact C-N 3.32Å; L30-K32 PolarHBondContact O-N 3.02Å; K32-D34 VanDerWaalsContact C-N 3.28Å; K32-D34 PolarHBondContact O-N 2.9Å
33H80.2Confident81.3Confident121 Ų12197.5 Ų97.556%0.5645%0.451SS*.THydrogen-bonded Turntrans-89.923.2175.6-73-88.1000113.5F29 L30 R31 A35F29-H33 AromaticContact CE1-CD2 3.67Å; F29-H33 AromaticContact CE1-NE2 3.94Å; F29-H33 AromaticContact CE2-CD2 3.66Å; F29-H33 AromaticContact CE2-NE2 3.29Å; F29-H33 VanDerWaalsContact CE2-NE2 3.29Å; F29-H33 WeakPolarHBondContact CE2-NE2 3.4Å; F29-H33 AromaticContact CZ-CD2 3.47Å; F29-H33 VanDerWaalsContact CZ-CD2 3.47Å; F29-H33 WeakPolarHBondContact CZ-CD2 3.44Å; F29-H33 AromaticContact CZ-NE2 3.24Å; F29-H33 WeakPolarHBondContact CZ-NE2 3.48Å; F29-H33 PolarHBondContact O-CD2 2.97Å; F29-H33 PolarHBondContact O-N 2.97Å; F29-H33 VanDerWaalsContact O-N 3.1Å; L30-H33 CarbonylContact O-C 3.48Å; L30-H33 PolarHBondContact O-N 3.24Å; R31-H33 VanDerWaalsContact C-N 3.25Å; R31-H33 PolarHBondContact O-N 2.96Å; H33-A35 PolarHBondContact O-N 2.89Å
34D73.5Confident81.4Confident138 Ų138101.1 Ų101.174%0.73847%0.468SS*.THydrogen-bonded Turntrans55.114.9-178.8-155.1-119.2000115.6L30 R31 K32 K36L30-D34 PolarHBondContact O-N 2.81Å; R31-D34 PolarHBondContact O-N 3.25Å; K32-D34 VanDerWaalsContact C-N 3.28Å; K32-D34 PolarHBondContact O-N 2.9Å; D34-K36 PolarHBondContact O-N 3.23Å
35A73.2Confident81.3Confident30 Ų3099.6 Ų99.625%0.24846%0.459CS..  trans-81.9112.3-17800000110L30 H33 F37L30-A35 HydrophobicContact CB-CB 4.43Å; L30-A35 HydrophobicContact CD2-CB 4.39Å; L30-A35 WeakPolarHBondContact O-CB 3.15Å; L30-A35 PolarHBondContact O-N 2.96Å; H33-A35 PolarHBondContact O-N 2.89Å; A35-F37 HydrophobicContact CB-CD2 3.42Å; A35-F37 VanDerWaalsContact CB-CD2 3.42Å; A35-F37 HydrophobicContact CB-CE2 3.48Å; A35-F37 VanDerWaalsContact CB-CE2 3.48Å; A35-F37 PolarHBondContact O-N 2.95Å
36K71.9Confident81.4Confident204 Ų20498 Ų9889%0.88745%0.451SS*.  trans-73.356.4176.7-67.9-178.6-178.2166.50112.1D34 S38D34-K36 PolarHBondContact O-N 3.23Å; K36-S38 PolarHBondContact O-N 3.38Å
37F74.1Confident81.4Confident108 Ų108103.9 Ų103.947%0.47448%0.476SS..  trans-74124.5171.6-75-89.8000110.5L30 A35 V42L30-F37 HydrophobicContact CB-CD2 4.16Å; L30-F37 HydrophobicContact CD1-CB 4.12Å; L30-F37 HydrophobicContact CD1-CD2 3.91Å; L30-F37 HydrophobicContact CD1-CG 4.02Å; L30-F37 HydrophobicContact CD2-CD2 3.74Å; L30-F37 HydrophobicContact CD2-CE2 3.71Å; L30-F37 HydrophobicContact CG-CD2 4.15Å; A35-F37 HydrophobicContact CB-CD2 3.42Å; A35-F37 VanDerWaalsContact CB-CD2 3.42Å; A35-F37 HydrophobicContact CB-CE2 3.48Å; A35-F37 VanDerWaalsContact CB-CE2 3.48Å; A35-F37 PolarHBondContact O-N 2.95Å; F37-V42 HydrophobicContact CB-CG2 3.59Å
38S81.4Confident81.5Confident71 Ų71104.9 Ų104.950%0.49750%0.495SS..  trans-65.7152.4169.7-178.30000110.2K36 R40 S41 V42K36-S38 PolarHBondContact O-N 3.38Å; S38-R40 PolarHBondContact O-N 3.46Å; S38-S41 PolarHBondContact O-N 3.2Å; S38-V42 PolarHBondContact O-N 3.46Å
39R79.3Confident81.5Confident178 Ų178102 Ų10267%0.67247%0.473SS*.Hα-helixtrans-51.2-33.9174.4-66.7-173.4-174.790.1-5111.7R43R39-R43 WeakPolarHBondContact O-CB 3.28Å; R39-R43 PolarHBondContact O-N 3.25Å
40R84Confident81.7Confident186 Ų186100.3 Ų100.370%0.70247%0.467SS*.Hα-helixtrans-66.9-45.9178.1-168.8174.9-177.7159.7-0.2111.9S38 R43 N44S38-R40 PolarHBondContact O-N 3.46Å; R40-R43 PolarHBondContact O-N 3.47Å; R40-N44 WeakPolarHBondContact O-CB 3.38Å; R40-N44 PolarHBondContact O-N 2.6Å
41S85.5Confident81.6Confident59 Ų59101.8 Ų101.841%0.41348%0.48SS..Hα-helixtrans-65.5-45.3178.8-47.40000111.6S38 R43 N44 Y45S38-S41 PolarHBondContact O-N 3.2Å; S41-R43 VanDerWaalsContact C-N 3.33Å; S41-R43 PolarHBondContact O-N 3.32Å; S41-N44 PolarHBondContact O-N 2.95Å; S41-Y45 PolarHBondContact O-N 2.75Å
42V84.6Confident81.6Confident5 Ų598.6 Ų98.63%0.0348%0.475CS..Hα-helixtrans-60.4-45.4175.1-176.70000110.5L26 R27 L30 F37 S38 N44 Y45 V46L26-V42 HydrophobicContact CB-CG1 4.45Å; L26-V42 HydrophobicContact CD2-CG1 4.01Å; L26-V42 HydrophobicContact CG-CG1 4.28Å; R27-V42 HydrophobicContact CB-CG1 4.35Å; L30-V42 HydrophobicContact CD1-CG1 4.43Å; L30-V42 HydrophobicContact CD1-CG2 3.76Å; F37-V42 HydrophobicContact CB-CG2 3.59Å; S38-V42 PolarHBondContact O-N 3.46Å; V42-N44 VanDerWaalsContact C-N 3.32Å; V42-N44 PolarHBondContact O-N 2.95Å; V42-Y45 PolarHBondContact O-N 3.42Å; V42-V46 HydrophobicContact CG1-CG2 4.35Å; V42-V46 VanDerWaalsContact O-CG2 3.32Å; V42-V46 WeakPolarHBondContact O-CG2 3.42Å; V42-V46 PolarHBondContact O-N 3.26Å
43R84.5Confident81.6Confident128 Ų12893.5 Ų93.548%0.48347%0.47SS..Hα-helixtrans-62.8-39.3178-172.2-179.775.4-135.98111.9R39 R40 S41 K47R39-R43 WeakPolarHBondContact O-CB 3.28Å; R39-R43 PolarHBondContact O-N 3.25Å; R40-R43 PolarHBondContact O-N 3.47Å; S41-R43 VanDerWaalsContact C-N 3.33Å; S41-R43 PolarHBondContact O-N 3.32Å; R43-K47 HydrophobicContact CG-CD 4.38Å; R43-K47 HydrophobicContact CG-CG 4.4Å; R43-K47 VanDerWaalsContact O-CB 3.27Å; R43-K47 WeakPolarHBondContact O-CB 3.29Å; R43-K47 VanDerWaalsContact O-CG 3.28Å; R43-K47 WeakPolarHBondContact O-CG 3.16Å; R43-K47 PolarHBondContact O-N 3.21Å
44N86.3Confident81.8Confident114 Ų11491 Ų9161%0.6146%0.46SS*.Hα-helixtrans-65.4-42.6177.8-160.388.8000111.3R40 S41 V42 K47 S48R40-N44 WeakPolarHBondContact O-CB 3.38Å; R40-N44 PolarHBondContact O-N 2.6Å; S41-N44 PolarHBondContact O-N 2.95Å; V42-N44 VanDerWaalsContact C-N 3.32Å; V42-N44 PolarHBondContact O-N 2.95Å; N44-K47 PolarHBondContact O-N 3.22Å; N44-S48 PolarHBondContact O-N 3.31Å
45Y83.4Confident82.3Confident137 Ų13785.6 Ų85.654%0.53744%0.438SS..Hα-helixtrans-62.6-48.5175.8-175.9-97.2000111.5L26 S41 V42 K47 S48 I49L26-Y45 HydrophobicContact CD2-CD1 3.77Å; L26-Y45 HydrophobicContact CD2-CE1 4.19Å; S41-Y45 PolarHBondContact O-N 2.75Å; V42-Y45 PolarHBondContact O-N 3.42Å; Y45-K47 PolarHBondContact O-N 2.6Å; Y45-S48 WeakPolarHBondContact O-CB 3.37Å; Y45-S48 PolarHBondContact O-N 2.72Å; Y45-S48 VanDerWaalsContact O-N 3.14Å; Y45-I49 HydrophobicContact CD1-CD1 4.01Å; Y45-I49 HydrophobicContact CE1-CD1 3.46Å; Y45-I49 VanDerWaalsContact CE1-CD1 3.46Å; Y45-I49 HydrophobicContact CE2-CD1 4.25Å
46V86Confident82.9Confident1 Ų186.5 Ų86.51%0.00644%0.436CS..Hα-helixtrans-57.9-51.6175.4172.20000110.2L26 V42 S48 I49 D50 L57L26-V46 HydrophobicContact CD2-CG2 3.55Å; V42-V46 HydrophobicContact CG1-CG2 4.35Å; V42-V46 VanDerWaalsContact O-CG2 3.32Å; V42-V46 WeakPolarHBondContact O-CG2 3.42Å; V42-V46 PolarHBondContact O-N 3.26Å; V46-S48 PolarHBondContact O-N 3.43Å; V46-S48 VanDerWaalsContact O-N 3.08Å; V46-I49 PolarHBondContact O-N 2.88Å; V46-D50 HydrophobicContact CG1-CB 3.98Å; V46-D50 WeakPolarHBondContact O-CB 3.41Å; V46-D50 PolarHBondContact O-N 3.04Å; V46-L57 HydrophobicContact CG1-CD2 3.88Å; V46-L57 HydrophobicContact CG1-CG 4.03Å; V46-L57 HydrophobicContact CG2-CD1 4.19Å; V46-L57 HydrophobicContact CG2-CG 4.46Å
47K85.1Confident83.6Confident139 Ų13977 Ų7760%0.60440%0.395SS*.Hα-helixtrans-57.9-24.2178.2-80.5-170.9171.1-148.80115R43 N44 Y45 I49R43-K47 HydrophobicContact CG-CD 4.38Å; R43-K47 HydrophobicContact CG-CG 4.4Å; R43-K47 VanDerWaalsContact O-CB 3.27Å; R43-K47 WeakPolarHBondContact O-CB 3.29Å; R43-K47 VanDerWaalsContact O-CG 3.28Å; R43-K47 WeakPolarHBondContact O-CG 3.16Å; R43-K47 PolarHBondContact O-N 3.21Å; N44-K47 PolarHBondContact O-N 3.22Å; Y45-K47 PolarHBondContact O-N 2.6Å; K47-I49 VanDerWaalsContact C-N 3.27Å
48S84.7Confident84.2Confident99 Ų9973.6 Ų73.669%0.69238%0.383SS*.Hα-helixtrans-75.5-21.9177.8-167.70000112.5N44 Y45 V46N44-S48 PolarHBondContact O-N 3.31Å; Y45-S48 WeakPolarHBondContact O-CB 3.37Å; Y45-S48 PolarHBondContact O-N 2.72Å; Y45-S48 VanDerWaalsContact O-N 3.14Å; V46-S48 PolarHBondContact O-N 3.43Å; V46-S48 VanDerWaalsContact O-N 3.08Å
49I85.4Confident84.3Confident16 Ų1672.8 Ų72.88%0.08237%0.372CS..Hα-helixtrans-106.3-46.3-175.7-58.4172.5000109.1Y45 V46 K47 S51 L57 D61 L62 A65Y45-I49 HydrophobicContact CD1-CD1 4.01Å; Y45-I49 HydrophobicContact CE1-CD1 3.46Å; Y45-I49 VanDerWaalsContact CE1-CD1 3.46Å; Y45-I49 HydrophobicContact CE2-CD1 4.25Å; V46-I49 PolarHBondContact O-N 2.88Å; K47-I49 VanDerWaalsContact C-N 3.27Å; I49-S51 PolarHBondContact O-N 2.99Å; I49-S51 PolarHBondContact O-OG 3.37Å; I49-L57 HydrophobicContact CB-CD1 4.48Å; I49-L57 HydrophobicContact CB-CD2 3.65Å; I49-L57 HydrophobicContact CD1-CD1 4.25Å; I49-L57 HydrophobicContact CG2-CD1 4.36Å; I49-L57 HydrophobicContact CG2-CD2 3.61Å; I49-D61 HydrophobicContact CG2-CB 4.2Å; I49-L62 HydrophobicContact CD1-CD2 4.39Å; I49-L62 HydrophobicContact CG2-CD2 3.95Å; I49-L62 HydrophobicContact CG2-CG 4.46Å; I49-A65 HydrophobicContact CB-CB 4.35Å; I49-A65 HydrophobicContact CG1-CB 4.23Å; I49-A65 HydrophobicContact CG2-CB 3.77Å
50D87.2Confident84.6Confident13 Ų1369.6 Ų69.67%0.0737%0.369CS..  trans-57.299.2174.5179.67.2000110.4V46 D52 G53 D54 G55 L57V46-D50 HydrophobicContact CG1-CB 3.98Å; V46-D50 WeakPolarHBondContact O-CB 3.41Å; V46-D50 PolarHBondContact O-N 3.04Å; D50-D52 PolarHBondContact OD1-N 3.05Å; D50-D52 VanDerWaalsContact OD1-OD1 3.09Å; D50-G53 VanDerWaalsContact OD1-CA 3.25Å; D50-G53 WeakPolarHBondContact OD1-CA 3.04Å; D50-G53 PolarHBondContact OD1-N 3.41Å; D50-G53 WeakPolarHBondContact OD2-CA 3.32Å; D50-D54 PolarHBondContact OD1-N 2.99Å; D50-D54 PolarHBondContact OD2-N 2.86Å; D50-G55 VanDerWaalsContact OD2-CA 3.24Å; D50-G55 WeakPolarHBondContact OD2-CA 3.3Å; D50-G55 PolarHBondContact OD2-N 3.38Å; D50-L57 HydrophobicContact CB-CD2 3.8Å
51S80.3Confident84.7Confident63 Ų6361 Ų6144%0.44134%0.337SS..SBendtrans-88-23.9-178.1-64.70000112.2I49 D61I49-S51 PolarHBondContact O-N 2.99Å; I49-S51 PolarHBondContact O-OG 3.37Å; S51-D61 PolarHBondContact N-OD1 3.43Å
52D82.5Confident84.6Confident95 Ų9559.7 Ų59.751%0.50833%0.325SS..SBendtrans-87.2-19.4177.666.4-77.5000113.2D50 D54D50-D52 PolarHBondContact OD1-N 3.05Å; D50-D52 VanDerWaalsContact OD1-OD1 3.09Å; D52-D54 WeakPolarHBondContact OD2-CB 3.22Å; D52-D54 PolarHBondContact OD2-N 2.99Å
53G79.7Confident84.5Confident59 Ų5961.7 Ų61.761%0.60834%0.335SS*.  trans78.116.9175.500000114.5D50 G55D50-G53 VanDerWaalsContact OD1-CA 3.25Å; D50-G53 WeakPolarHBondContact OD1-CA 3.04Å; D50-G53 PolarHBondContact OD1-N 3.41Å; D50-G53 WeakPolarHBondContact OD2-CA 3.32Å; G53-G55 PolarHBondContact O-N 3.15Å
54D85.3Confident84.4Confident67 Ų6762.8 Ų62.836%0.35834%0.339SS..SBendtrans-78.7-3.7179.585.7-15000113.9D50 D52 K56D50-D54 PolarHBondContact OD1-N 2.99Å; D50-D54 PolarHBondContact OD2-N 2.86Å; D52-D54 WeakPolarHBondContact OD2-CB 3.22Å; D52-D54 PolarHBondContact OD2-N 2.99Å; D54-K56 VanDerWaalsContact C-N 3.34Å; D54-K56 VanDerWaalsContact OD1-CA 3.3Å; D54-K56 WeakPolarHBondContact OD1-CA 3.26Å; D54-K56 WeakPolarHBondContact OD1-CB 3.28Å; D54-K56 WeakPolarHBondContact OD1-CG 3.41Å; D54-K56 PolarHBondContact OD1-N 3.39Å; D54-K56 VanDerWaalsContact OD2-CD 3.32Å; D54-K56 WeakPolarHBondContact OD2-CD 3.37Å; D54-K56 WeakPolarHBondContact OD2-CG 3.3Å; D54-K56 IonicContact OD2-NZ 2.6Å; D54-K56 PolarHBondContact OD2-NZ 3.34Å
55G83.4Confident84.1Confident26 Ų2659.2 Ų59.227%0.26833%0.325SS..SBendtrans77.118.2-177.800000114.1C23 D50 G53C23-G55 PolarHBondContact N-O 3.05Å; C23-G55 PolarHBondContact SG-O 3.43Å; D50-G55 VanDerWaalsContact OD2-CA 3.24Å; D50-G55 WeakPolarHBondContact OD2-CA 3.3Å; D50-G55 PolarHBondContact OD2-N 3.38Å; G53-G55 PolarHBondContact O-N 3.15Å
56K85.6Confident83.7Confident49 Ų4956 Ų5621%0.21332%0.317CS..EExtended strand (participates in β ladder)trans-125155.8174.9-44-176.1-162.671.50108.3R20 I21 T22 D54R20-K56 HydrophobicContact CB-CB 4.47Å; R20-K56 HydrophobicContact CG-CD 4.27Å; I21-K56 CarbonylContact O-C 3.56Å; I21-K56 VanDerWaalsContact O-CA 3.28Å; I21-K56 WeakPolarHBondContact O-CA 3.42Å; T22-K56 HydrophobicContact CG2-CD 3.96Å; T22-K56 HydrophobicContact CG2-CG 3.99Å; D54-K56 VanDerWaalsContact C-N 3.34Å; D54-K56 VanDerWaalsContact OD1-CA 3.3Å; D54-K56 WeakPolarHBondContact OD1-CA 3.26Å; D54-K56 WeakPolarHBondContact OD1-CB 3.28Å; D54-K56 WeakPolarHBondContact OD1-CG 3.41Å; D54-K56 PolarHBondContact OD1-N 3.39Å; D54-K56 VanDerWaalsContact OD2-CD 3.32Å; D54-K56 WeakPolarHBondContact OD2-CD 3.37Å; D54-K56 WeakPolarHBondContact OD2-CG 3.3Å; D54-K56 IonicContact OD2-NZ 2.6Å; D54-K56 PolarHBondContact OD2-NZ 3.34Å
57L87.9Confident83.3Confident4 Ų460.2 Ų60.22%0.02134%0.343CS..EExtended strand (participates in β ladder)trans-112.9114.2175.8-60.3-179.8000107F10 R20 I21 L26 V46 I49 D50 L62F10-L57 WeakPolarHBondContact CE2-O 3.47Å; R20-L57 CarbonylContact C-O 3.51Å; R20-L57 WeakPolarHBondContact CA-O 3.42Å; I21-L57 HydrophobicContact CB-CB 4.34Å; I21-L57 PolarHBondContact N-O 3.05Å; I21-L57 PolarHBondContact O-N 3.37Å; L26-L57 HydrophobicContact CD2-CD1 4.46Å; V46-L57 HydrophobicContact CG1-CD2 3.88Å; V46-L57 HydrophobicContact CG1-CG 4.03Å; V46-L57 HydrophobicContact CG2-CD1 4.19Å; V46-L57 HydrophobicContact CG2-CG 4.46Å; I49-L57 HydrophobicContact CB-CD1 4.48Å; I49-L57 HydrophobicContact CB-CD2 3.65Å; I49-L57 HydrophobicContact CD1-CD1 4.25Å; I49-L57 HydrophobicContact CG2-CD1 4.36Å; I49-L57 HydrophobicContact CG2-CD2 3.61Å; D50-L57 HydrophobicContact CB-CD2 3.8Å; L57-L62 HydrophobicContact CD1-CD2 4.45Å
58T86.6Confident82.4Confident36 Ų3661.3 Ų61.322%0.22135%0.348CS..EExtended strand (participates in β ladder)trans-84.2169.8170.465.80000110.3R20 D60 D61 L62R20-T58 HydrophobicContact CB-CG2 4.14Å; T58-D60 PolarHBondContact O-N 2.85Å; T58-D61 WeakPolarHBondContact CB-OD2 3.24Å; T58-D61 PolarHBondContact N-OD2 3.27Å; T58-D61 PolarHBondContact O-N 2.89Å; T58-D61 PolarHBondContact OG1-N 3.5Å; T58-D61 PolarHBondContact OG1-OD2 3.01Å; T58-L62 PolarHBondContact O-N 2.76Å
59L84.2Confident81.1Confident54 Ų5462.2 Ų62.228%0.28335%0.353SS..Hα-helixtrans-59.2-41.3172.1-176.763.4000110.2V6 K7 F10 D61 L62 I63V6-L59 HydrophobicContact CG1-CD1 3.97Å; K7-L59 HydrophobicContact CB-CD1 4.4Å; F10-L59 HydrophobicContact CZ-CB 4.46Å; L59-D61 PolarHBondContact O-N 3.48Å; L59-L62 PolarHBondContact O-N 2.96Å; L59-I63 HydrophobicContact CD1-CD1 4.4Å; L59-I63 HydrophobicContact CG-CD1 3.89Å; L59-I63 HydrophobicContact CG-CG1 4.49Å; L59-I63 VanDerWaalsContact O-CG1 3.29Å; L59-I63 WeakPolarHBondContact O-CG1 3.06Å; L59-I63 PolarHBondContact O-N 3.48Å
60D84.5Confident79.8Confident112 Ų11267.7 Ų67.760%0.59938%0.382SS*.Hα-helixtrans-58.8-42.3175.3-71.6-97.7000113.2T58 L62 I63 R64T58-D60 PolarHBondContact O-N 2.85Å; D60-L62 VanDerWaalsContact C-N 3.33Å; D60-L62 PolarHBondContact O-N 3.14Å; D60-I63 PolarHBondContact O-N 3.47Å; D60-R64 VanDerWaalsContact O-CB 3.28Å; D60-R64 WeakPolarHBondContact O-CB 3.38Å; D60-R64 VanDerWaalsContact O-CG 3.26Å; D60-R64 WeakPolarHBondContact O-CG 3.42Å; D60-R64 PolarHBondContact O-N 3.24Å
61D86.2Confident78.1Confident6 Ų675.1 Ų75.13%0.03242%0.416CS..Hα-helixtrans-63.8-40.2177.7-65.6-60.1000112I49 S51 T58 L59 R64 A65I49-D61 HydrophobicContact CG2-CB 4.2Å; S51-D61 PolarHBondContact N-OD1 3.43Å; T58-D61 WeakPolarHBondContact CB-OD2 3.24Å; T58-D61 PolarHBondContact N-OD2 3.27Å; T58-D61 PolarHBondContact O-N 2.89Å; T58-D61 PolarHBondContact OG1-N 3.5Å; T58-D61 PolarHBondContact OG1-OD2 3.01Å; L59-D61 PolarHBondContact O-N 3.48Å; D61-R64 PolarHBondContact O-N 3.47Å; D61-A65 WeakPolarHBondContact O-CB 3.25Å; D61-A65 PolarHBondContact O-N 3.08Å
62L83.1Confident76.3Confident30 Ų3077.7 Ų77.716%0.15743%0.434CS..Hα-helixtrans-68.7-43.5178-69.9165.5000111.5V6 F10 I49 L57 T58 L59 D60 R64 A65 L66V6-L62 HydrophobicContact CG1-CB 3.43Å; V6-L62 VanDerWaalsContact CG1-CB 3.43Å; V6-L62 HydrophobicContact CG1-CD1 3.8Å; V6-L62 HydrophobicContact CG1-CG 4.2Å; F10-L62 HydrophobicContact CD2-CD1 3.61Å; F10-L62 HydrophobicContact CE2-CD1 4.23Å; I49-L62 HydrophobicContact CD1-CD2 4.39Å; I49-L62 HydrophobicContact CG2-CD2 3.95Å; I49-L62 HydrophobicContact CG2-CG 4.46Å; L57-L62 HydrophobicContact CD1-CD2 4.45Å; T58-L62 PolarHBondContact O-N 2.76Å; L59-L62 PolarHBondContact O-N 2.96Å; D60-L62 VanDerWaalsContact C-N 3.33Å; D60-L62 PolarHBondContact O-N 3.14Å; L62-R64 VanDerWaalsContact C-N 3.34Å; L62-R64 PolarHBondContact O-N 2.83Å; L62-A65 PolarHBondContact O-N 3.06Å; L62-L66 PolarHBondContact O-N 3.45Å
63I83.6Confident74.4Confident47 Ų4786.1 Ų86.124%0.24147%0.466CS..Hα-helixtrans-58.7-49.1174.1-68.1166.9000109.5L59 D60 A65 L66 T67L59-I63 HydrophobicContact CD1-CD1 4.4Å; L59-I63 HydrophobicContact CG-CD1 3.89Å; L59-I63 HydrophobicContact CG-CG1 4.49Å; L59-I63 VanDerWaalsContact O-CG1 3.29Å; L59-I63 WeakPolarHBondContact O-CG1 3.06Å; L59-I63 PolarHBondContact O-N 3.48Å; D60-I63 PolarHBondContact O-N 3.47Å; I63-A65 VanDerWaalsContact C-N 3.3Å; I63-A65 PolarHBondContact O-N 3.4Å; I63-L66 PolarHBondContact O-N 2.69Å; I63-L66 VanDerWaalsContact O-N 3.15Å; I63-T67 PolarHBondContact O-N 3.23Å; I63-T67 PolarHBondContact O-OG1 3.09Å
64R81.1Confident74.1Confident152 Ų15287.5 Ų87.557%0.57446%0.459SS*.Hα-helixtrans-57.9-41.1176.9-80.5176.6142.5-179.2-3.4112.6D60 D61 L62 L66 T67 K68D60-R64 VanDerWaalsContact O-CB 3.28Å; D60-R64 WeakPolarHBondContact O-CB 3.38Å; D60-R64 VanDerWaalsContact O-CG 3.26Å; D60-R64 WeakPolarHBondContact O-CG 3.42Å; D60-R64 PolarHBondContact O-N 3.24Å; D61-R64 PolarHBondContact O-N 3.47Å; L62-R64 VanDerWaalsContact C-N 3.34Å; L62-R64 PolarHBondContact O-N 2.83Å; R64-L66 VanDerWaalsContact C-N 3.34Å; R64-T67 PolarHBondContact O-N 2.87Å; R64-K68 VanDerWaalsContact O-CB 3.3Å; R64-K68 WeakPolarHBondContact O-CB 3.27Å; R64-K68 WeakPolarHBondContact O-CG 3.28Å; R64-K68 PolarHBondContact O-N 3.06Å
65A79.9Confident73.6Confident38 Ų3888.5 Ų88.531%0.31446%0.464SS..Hα-helixtrans-65.4-37.5178.200000112.4I49 D61 L62 I63I49-A65 HydrophobicContact CB-CB 4.35Å; I49-A65 HydrophobicContact CG1-CB 4.23Å; I49-A65 HydrophobicContact CG2-CB 3.77Å; D61-A65 WeakPolarHBondContact O-CB 3.25Å; D61-A65 PolarHBondContact O-N 3.08Å; L62-A65 PolarHBondContact O-N 3.06Å; I63-A65 VanDerWaalsContact C-N 3.3Å; I63-A65 PolarHBondContact O-N 3.4Å
66L75.5Confident73Confident71 Ų7192 Ų9237%0.37248%0.475SS..Hα-helixtrans-68.5-45172.4-67-170.1000111.9E2 V6 L62 I63 R64 K68 C69E2-L66 HydrophobicContact CB-CD1 3.85Å; V6-L66 HydrophobicContact CG2-CD1 3.2Å; V6-L66 HydrophobicContact CG2-CG 4.13Å; L62-L66 PolarHBondContact O-N 3.45Å; I63-L66 PolarHBondContact O-N 2.69Å; I63-L66 VanDerWaalsContact O-N 3.15Å; R64-L66 VanDerWaalsContact C-N 3.34Å; L66-K68 VanDerWaalsContact C-N 3.3Å; L66-K68 PolarHBondContact O-N 2.86Å; L66-C69 PolarHBondContact O-N 2.94Å
67T76.8Confident72.3Confident88 Ų8894.5 Ų94.554%0.5449%0.49SS..Hα-helixtrans-65.9-31.6179.2-52.20000112.7I63 R64 C69 D70I63-T67 PolarHBondContact O-N 3.23Å; I63-T67 PolarHBondContact O-OG1 3.09Å; R64-T67 PolarHBondContact O-N 2.87Å; T67-C69 PolarHBondContact O-N 3.45Å; T67-D70 PolarHBondContact O-N 2.84Å; T67-D70 VanDerWaalsContact O-N 3.09Å
68K67.1Low71.3Confident163 Ų163100.2 Ų100.271%0.70952%0.52SS*.G310 helixtrans-61.5-16.2-178.6-95.8-164.7179-172.70114.3R64 L66 D70R64-K68 VanDerWaalsContact O-CB 3.3Å; R64-K68 WeakPolarHBondContact O-CB 3.27Å; R64-K68 WeakPolarHBondContact O-CG 3.28Å; R64-K68 PolarHBondContact O-N 3.06Å; L66-K68 VanDerWaalsContact C-N 3.3Å; L66-K68 PolarHBondContact O-N 2.86Å; K68-D70 PolarHBondContact O-N 3.41Å
69C58.1Low70.3Confident118 Ų118104.5 Ų104.580%0.79754%0.54SS*.G310 helixtrans-74.4-11.9176.2-155.70000113.6L66 T67L66-C69 PolarHBondContact O-N 2.94Å; T67-C69 PolarHBondContact O-N 3.45Å
70D57.4Low69.3Low130 Ų130108.1 Ų108.170%0.69556%0.558SS**G310 helixtrans-114.522.8-171-159.6-119.2000115.8T67 K68T67-D70 PolarHBondContact O-N 2.84Å; T67-D70 VanDerWaalsContact O-N 3.09Å; K68-D70 PolarHBondContact O-N 3.41Å
71H51.8Low68.1Low170 Ų170107.8 Ų107.879%0.78756%0.555SS**  trans-128.271.6163.9-8264.4000110.5K73H71-K73 PolarHBondContact O-N 3.36Å
72S42.1Very low66.6Low116 Ų116116.3 Ų116.381%0.81160%0.598SS**  trans-68.498.7150.5-179.80000108.8
73K42.6Very low65.1Low272 Ų272124.1 Ų124.1100%1.18364%0.638SS**  trans-1540151-85.4-60.5176.9166.10109.6H71H71-K73 PolarHBondContact O-N 3.36Å

Retrieved 73 of 73 residues in 15.8 ms (Link to these results)

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