A0A077Z774_TRITR Loading...

Ets domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z774, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 107 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
1M83.7Confident89.4Confident35 Ų3564.4 Ų64.417%0.17232%0.316CS..  0-57.10-69.4-60.4-93.300111.2K3 L4 L5 I15 F25 I27 V33 F76M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 2.82Å; M1-L4 WeakPolarHBondContact O-CB 3.29Å; M1-L4 PolarHBondContact O-N 3.36Å; M1-L5 PolarHBondContact O-N 3.17Å; M1-L5 VanDerWaalsContact O-N 3.08Å; M1-I15 HydrophobicContact CE-CD1 3.37Å; M1-I15 HydrophobicContact SD-CD1 3.95Å; M1-F25 HydrophobicContact CE-CD2 4.4Å; M1-F25 HydrophobicContact CE-CE2 3.54Å; M1-F25 HydrophobicContact CE-CZ 4.2Å; M1-I27 HydrophobicContact CE-CD1 3.57Å; M1-I27 HydrophobicContact CE-CG1 3.78Å; M1-V33 HydrophobicContact CE-CG1 4.16Å; M1-V33 HydrophobicContact SD-CG1 4Å; M1-F76 HydrophobicContact CB-CZ 4.35Å
2L87Confident89.9Confident21 Ų2166.6 Ų66.611%0.1134%0.339CS..Hα-helixtrans-48.5-47.3177.8-71.5168.2000113.6L4 L5 C6 W17 F76 F79 I84 L87 L88 V102L2-L4 VanDerWaalsContact C-N 3.28Å; L2-L4 PolarHBondContact O-N 3.32Å; L2-L5 WeakPolarHBondContact O-CB 3.15Å; L2-L5 PolarHBondContact O-N 2.96Å; L2-C6 PolarHBondContact O-N 3.19Å; L2-C6 PolarHBondContact O-SG 3.19Å; L2-W17 HydrophobicContact CD2-CH2 3.85Å; L2-W17 HydrophobicContact CD2-CZ2 3.97Å; L2-F76 HydrophobicContact CD2-CD2 4.32Å; L2-F76 HydrophobicContact CD2-CE2 3.64Å; L2-F76 HydrophobicContact CD2-CZ 3.82Å; L2-F76 HydrophobicContact CG-CE1 4.44Å; L2-F76 HydrophobicContact CG-CE2 4.18Å; L2-F76 HydrophobicContact CG-CZ 3.82Å; L2-F79 HydrophobicContact CD2-CE2 4.14Å; L2-I84 HydrophobicContact CD2-CD1 4.09Å; L2-L87 HydrophobicContact CD1-CD1 4.25Å; L2-L88 HydrophobicContact CB-CD2 4.45Å; L2-V102 HydrophobicContact CD1-CG2 4.34Å
3K88.4Confident90.4Very high125 Ų12575.3 Ų75.354%0.54337%0.365SS..Hα-helixtrans-55.2-38.3175.6-171.5171.1-177.1168.80114.1M1 S7 L88M1-K3 VanDerWaalsContact C-N 3.31Å; M1-K3 PolarHBondContact O-N 2.82Å; K3-S7 PolarHBondContact O-N 2.93Å; K3-L88 HydrophobicContact CB-CD2 4.15Å
4L90.6Very high90.8Very high17 Ų1773.3 Ų73.39%0.08935%0.352CS..Hα-helixtrans-73.5-37.2177.2-61.3177.3000111.6M1 L2 C6 S7 F10 I15 V33 L36M1-L4 WeakPolarHBondContact O-CB 3.29Å; M1-L4 PolarHBondContact O-N 3.36Å; L2-L4 VanDerWaalsContact C-N 3.28Å; L2-L4 PolarHBondContact O-N 3.32Å; L4-C6 VanDerWaalsContact C-N 3.3Å; L4-C6 PolarHBondContact O-N 3.19Å; L4-S7 PolarHBondContact O-N 3.19Å; L4-F10 HydrophobicContact CD2-CD2 3.51Å; L4-F10 HydrophobicContact CD2-CE2 3.98Å; L4-F10 HydrophobicContact CD2-CG 4.13Å; L4-I15 HydrophobicContact CB-CG2 3.79Å; L4-V33 HydrophobicContact CD1-CG1 4.21Å; L4-L36 HydrophobicContact CD1-CB 4.08Å; L4-L36 HydrophobicContact CD2-CB 4.03Å; L4-L36 HydrophobicContact CD2-CD1 4.14Å
5L90.9Very high91.3Very high5 Ų568.4 Ų68.43%0.02633%0.328CS..Hα-helixtrans-65.2-32.1177.2-79.3161.7000113.1M1 L2 S11 I15 K16 W17 F25 F76M1-L5 PolarHBondContact O-N 3.17Å; M1-L5 VanDerWaalsContact O-N 3.08Å; L2-L5 WeakPolarHBondContact O-CB 3.15Å; L2-L5 PolarHBondContact O-N 2.96Å; L5-S11 WeakPolarHBondContact O-CB 3.35Å; L5-S11 PolarHBondContact O-OG 3.4Å; L5-I15 HydrophobicContact CD1-CD1 4.28Å; L5-I15 HydrophobicContact CD2-CD1 4.04Å; L5-I15 HydrophobicContact CD2-CG1 3.72Å; L5-I15 HydrophobicContact CD2-CG2 4.41Å; L5-I15 HydrophobicContact CG-CD1 3.82Å; L5-I15 HydrophobicContact CG-CG1 4.06Å; L5-I15 HydrophobicContact CG-CG2 4.47Å; L5-K16 VanDerWaalsContact CD2-C 3.48Å; L5-W17 HydrophobicContact CB-CZ2 3.84Å; L5-W17 HydrophobicContact CD1-CD2 4.44Å; L5-W17 HydrophobicContact CD1-CE3 4.46Å; L5-W17 HydrophobicContact CD1-CH2 3.73Å; L5-W17 HydrophobicContact CD1-CZ2 3.69Å; L5-W17 HydrophobicContact CD1-CZ3 4.11Å; L5-W17 HydrophobicContact CD2-CD2 4.03Å; L5-W17 HydrophobicContact CD2-CE3 4.5Å; L5-W17 HydrophobicContact CD2-CG 4.22Å; L5-W17 HydrophobicContact CG-CZ2 4.22Å; L5-F25 HydrophobicContact CD1-CB 4Å; L5-F25 HydrophobicContact CD1-CD1 4.13Å; L5-F25 HydrophobicContact CD1-CD2 4.22Å; L5-F25 HydrophobicContact CD1-CG 3.86Å; L5-F25 HydrophobicContact CD2-CB 3.75Å; L5-F25 HydrophobicContact CD2-CG 4.36Å; L5-F76 HydrophobicContact CD1-CE2 4.06Å
6C89.7Confident91.6Very high54 Ų5469.1 Ų69.137%0.36533%0.329SS..Hα-helixtrans-89.6-11.2179.1-64.10000113.8L2 L4 L88L2-C6 PolarHBondContact O-N 3.19Å; L2-C6 PolarHBondContact O-SG 3.19Å; L4-C6 VanDerWaalsContact C-N 3.3Å; L4-C6 PolarHBondContact O-N 3.19Å; C6-L88 HydrophobicContact CB-CD1 3.89Å
7S89.2Confident91.9Very high32 Ų3267.6 Ų67.622%0.22432%0.32CS..  trans-82.7124.6179.41760000111.4K3 L4 E9 F10 S11K3-S7 PolarHBondContact O-N 2.93Å; L4-S7 PolarHBondContact O-N 3.19Å; S7-E9 PolarHBondContact O-N 2.97Å; S7-E9 PolarHBondContact OG-N 3.35Å; S7-F10 PolarHBondContact O-N 3.32Å; S7-F10 WeakPolarHBondContact OG-CD2 3.49Å; S7-S11 WeakPolarHBondContact O-CB 3.26Å; S7-S11 PolarHBondContact O-N 3.42Å
8K89.9Confident92.1Very high207 Ų20768.1 Ų68.190%0.932%0.324SS*.THydrogen-bonded Turntrans-62.8-21.6172.8-70.4-172.8177.9-178.60113.4
9E91.5Very high92.3Very high144 Ų14467.4 Ų67.467%0.67332%0.323SS*.THydrogen-bonded Turntrans-75.5-33.6179.5-166.9-171.4139.600111.9S7S7-E9 PolarHBondContact O-N 2.97Å; S7-E9 PolarHBondContact OG-N 3.35Å
10F91.8Very high92.3Very high41 Ų4170.5 Ų70.518%0.1833%0.331CS..THydrogen-bonded Turntrans-107.5-29.2-172.3-51.5-51.1000113.3L4 S7 R13 Y14 L36L4-F10 HydrophobicContact CD2-CD2 3.51Å; L4-F10 HydrophobicContact CD2-CE2 3.98Å; L4-F10 HydrophobicContact CD2-CG 4.13Å; S7-F10 PolarHBondContact O-N 3.32Å; S7-F10 WeakPolarHBondContact OG-CD2 3.49Å; F10-R13 PolarHBondContact O-N 3.05Å; F10-Y14 HydrophobicContact CB-CD2 4.26Å; F10-Y14 HydrophobicContact CD1-CD2 4.19Å; F10-Y14 HydrophobicContact CD1-CE2 4.36Å; F10-Y14 PolarHBondContact O-N 3.27Å; F10-L36 HydrophobicContact CD1-CD1 3.65Å; F10-L36 HydrophobicContact CE1-CD1 3.97Å; F10-L36 HydrophobicContact CE1-CD2 4.02Å; F10-L36 HydrophobicContact CG-CD1 3.99Å; F10-L36 HydrophobicContact CZ-CD2 4.2Å
11S91.2Very high92.4Very high27 Ų2774.4 Ų74.419%0.18935%0.349CS..THydrogen-bonded Turntrans-104.4130.7178.1-176.70000110.1L5 S7 I15L5-S11 WeakPolarHBondContact O-CB 3.35Å; L5-S11 PolarHBondContact O-OG 3.4Å; S7-S11 WeakPolarHBondContact O-CB 3.26Å; S7-S11 PolarHBondContact O-N 3.42Å; S11-I15 VanDerWaalsContact CA-O 3.25Å; S11-I15 WeakPolarHBondContact CA-O 3.24Å; S11-I15 WeakPolarHBondContact CB-O 3.46Å; S11-I15 PolarHBondContact OG-O 2.81Å
12P94.5Very high92.8Very high91 Ų9177 Ų7759%0.59136%0.363SS*.THydrogen-bonded Turncis-94.33.911.636.3-36.4000115Y14 K16P12-Y14 PolarHBondContact O-N 3.38Å; P12-K16 HydrophobicContact CB-CB 3.82Å; P12-K16 HydrophobicContact CB-CD 4.31Å
13R96.5Very high93.2Very high180 Ų18076 Ų7668%0.67936%0.358SS*.THydrogen-bonded Turntrans-62.6-45-166.9-172.9176.7178.2179.7-0.4114F10 V28F10-R13 PolarHBondContact O-N 3.05Å; R13-V28 WeakPolarHBondContact O-CG1 3.36Å
14Y96.8Very high93.6Very high47 Ų4771.7 Ų71.718%0.18434%0.341CS..THydrogen-bonded Turntrans-110.2-28-174.3-52.6-56.7000112.6F10 P12 V28 D29 V32 V33F10-Y14 HydrophobicContact CB-CD2 4.26Å; F10-Y14 HydrophobicContact CD1-CD2 4.19Å; F10-Y14 HydrophobicContact CD1-CE2 4.36Å; F10-Y14 PolarHBondContact O-N 3.27Å; P12-Y14 PolarHBondContact O-N 3.38Å; Y14-V28 WeakPolarHBondContact O-CA 3.36Å; Y14-V28 WeakPolarHBondContact O-CB 3.21Å; Y14-V28 PolarHBondContact O-N 3.29Å; Y14-D29 HydrophobicContact CD1-CB 3.92Å; Y14-D29 PolarHBondContact O-N 3.15Å; Y14-V32 HydrophobicContact CD1-CB 3.92Å; Y14-V32 HydrophobicContact CD1-CG1 3.76Å; Y14-V32 HydrophobicContact CD1-CG2 4.16Å; Y14-V32 HydrophobicContact CD2-CG1 3.8Å; Y14-V32 HydrophobicContact CE1-CB 4.29Å; Y14-V32 HydrophobicContact CE1-CG1 3.98Å; Y14-V32 HydrophobicContact CE1-CG2 4.11Å; Y14-V32 HydrophobicContact CE2-CG1 4.03Å; Y14-V32 HydrophobicContact CG-CB 4.17Å; Y14-V32 HydrophobicContact CG-CG1 3.66Å; Y14-V33 WeakPolarHBondContact O-CG2 3.16Å
15I97.3Very high94Very high0 Ų070.9 Ų70.90%034%0.337CS..EExtended strand (participates in β ladder)trans-150.4143177.1-168.3174.4000108.4M1 L4 L5 S11 F25 K26 I27 V33M1-I15 HydrophobicContact CE-CD1 3.37Å; M1-I15 HydrophobicContact SD-CD1 3.95Å; L4-I15 HydrophobicContact CB-CG2 3.79Å; L5-I15 HydrophobicContact CD1-CD1 4.28Å; L5-I15 HydrophobicContact CD2-CD1 4.04Å; L5-I15 HydrophobicContact CD2-CG1 3.72Å; L5-I15 HydrophobicContact CD2-CG2 4.41Å; L5-I15 HydrophobicContact CG-CD1 3.82Å; L5-I15 HydrophobicContact CG-CG1 4.06Å; L5-I15 HydrophobicContact CG-CG2 4.47Å; S11-I15 VanDerWaalsContact CA-O 3.25Å; S11-I15 WeakPolarHBondContact CA-O 3.24Å; S11-I15 WeakPolarHBondContact CB-O 3.46Å; S11-I15 PolarHBondContact OG-O 2.81Å; I15-F25 HydrophobicContact CD1-CD2 4.05Å; I15-F25 HydrophobicContact CD1-CE2 4.32Å; I15-F25 HydrophobicContact CG1-CD2 4.29Å; I15-K26 WeakPolarHBondContact CA-O 3.46Å; I15-K26 WeakPolarHBondContact CG1-O 3.48Å; I15-I27 HydrophobicContact CD1-CG1 4.31Å; I15-I27 HydrophobicContact CG1-CG1 4.41Å; I15-V33 HydrophobicContact CB-CG2 3.93Å; I15-V33 HydrophobicContact CD1-CG1 4.46Å
16K96.5Very high94.3Very high79 Ų7974.5 Ų74.534%0.34335%0.352SS..EExtended strand (participates in β ladder)trans-148.4151.7-178.867.1179-175.6172.10113L5 P12 L18 F25 K26 V28L5-K16 VanDerWaalsContact CD2-C 3.48Å; P12-K16 HydrophobicContact CB-CB 3.82Å; P12-K16 HydrophobicContact CB-CD 4.31Å; K16-L18 HydrophobicContact CD-CD2 4.4Å; K16-L18 HydrophobicContact CG-CD2 4.26Å; K16-F25 CarbonylContact O-C 3.42Å; K16-F25 VanDerWaalsContact O-CA 3.23Å; K16-F25 WeakPolarHBondContact O-CA 3.46Å; K16-F25 VanDerWaalsContact O-CB 3.3Å; K16-F25 WeakPolarHBondContact O-CB 2.91Å; K16-K26 HydrophobicContact CG-CB 4.4Å; K16-K26 PolarHBondContact N-O 2.98Å; K16-K26 PolarHBondContact O-N 3.43Å; K16-V28 HydrophobicContact CD-CG2 4.25Å; K16-V28 HydrophobicContact CG-CG2 4.07Å
17W96.1Very high94.7Very high44 Ų4471.9 Ų71.917%0.16734%0.335CS..EExtended strand (participates in β ladder)trans-66.1133.9161.8-64111.8000109.3L2 L5 R20 F25 F76 F79 I84L2-W17 HydrophobicContact CD2-CH2 3.85Å; L2-W17 HydrophobicContact CD2-CZ2 3.97Å; L5-W17 HydrophobicContact CB-CZ2 3.84Å; L5-W17 HydrophobicContact CD1-CD2 4.44Å; L5-W17 HydrophobicContact CD1-CE3 4.46Å; L5-W17 HydrophobicContact CD1-CH2 3.73Å; L5-W17 HydrophobicContact CD1-CZ2 3.69Å; L5-W17 HydrophobicContact CD1-CZ3 4.11Å; L5-W17 HydrophobicContact CD2-CD2 4.03Å; L5-W17 HydrophobicContact CD2-CE3 4.5Å; L5-W17 HydrophobicContact CD2-CG 4.22Å; L5-W17 HydrophobicContact CG-CZ2 4.22Å; W17-R20 HydrophobicContact CB-CB 4.12Å; W17-R20 HydrophobicContact CD2-CB 4.2Å; W17-R20 HydrophobicContact CD2-CG 4.2Å; W17-R20 HydrophobicContact CG-CB 3.98Å; W17-R20 HydrophobicContact CG-CG 4.26Å; W17-F25 HydrophobicContact CE3-CB 3.89Å; W17-F25 HydrophobicContact CZ3-CB 4.16Å; W17-F25 HydrophobicContact CZ3-CD1 4.21Å; W17-F76 AromaticContact CH2-CD2 3.86Å; W17-F76 HydrophobicContact CH2-CD2 3.86Å; W17-F76 AromaticContact CH2-CE2 3.73Å; W17-F76 HydrophobicContact CH2-CE2 3.73Å; W17-F76 AromaticContact CZ3-CD2 3.99Å; W17-F76 HydrophobicContact CZ3-CD2 3.99Å; W17-F76 HydrophobicContact CZ3-CE2 4.11Å; W17-F79 AromaticContact CH2-CE2 3.79Å; W17-F79 HydrophobicContact CH2-CE2 3.79Å; W17-F79 AromaticContact CH2-CZ 3.82Å; W17-F79 HydrophobicContact CH2-CZ 3.82Å; W17-F79 HydrophobicContact CZ2-CZ 4.31Å; W17-F79 HydrophobicContact CZ3-CE2 4.49Å; W17-F79 HydrophobicContact CZ3-CZ 4.38Å; W17-I84 HydrophobicContact CH2-CD1 4.49Å; W17-I84 HydrophobicContact CZ2-CD1 3.9Å
18L96.7Very high95.1Very high76 Ų7673.7 Ų73.740%0.39834%0.344SS..EExtended strand (participates in β ladder)trans-94.4-39.6162.9-61.3-172.3000109.7K16 I24 K26 V73K16-L18 HydrophobicContact CD-CD2 4.4Å; K16-L18 HydrophobicContact CG-CD2 4.26Å; L18-I24 HydrophobicContact CB-CG2 4.1Å; L18-I24 HydrophobicContact CD1-CG2 4.3Å; L18-I24 PolarHBondContact N-O 2.71Å; L18-K26 HydrophobicContact CD1-CB 4.03Å; L18-K26 HydrophobicContact CD2-CB 3.93Å; L18-K26 HydrophobicContact CG-CB 3.92Å; L18-V73 HydrophobicContact CD1-CB 4.47Å; L18-V73 HydrophobicContact CD1-CG1 3.64Å; L18-V73 HydrophobicContact CD1-CG2 3.91Å
19D95.5Very high95.5Very high55 Ų5566.6 Ų66.629%0.29432%0.316SS..EExtended strand (participates in β ladder)trans-142.2102.8172.1-174.5-25000107.6Q21 N22 G23 I24D19-Q21 VanDerWaalsContact C-N 3.33Å; D19-Q21 PolarHBondContact OD1-N 2.85Å; D19-N22 HydrophobicContact CB-CB 4.36Å; D19-N22 PolarHBondContact OD1-N 2.73Å; D19-N22 PolarHBondContact OD2-ND2 3.17Å; D19-G23 PolarHBondContact O-N 3.36Å; D19-G23 VanDerWaalsContact O-N 3.15Å; D19-I24 HydrophobicContact CB-CB 3.99Å; D19-I24 HydrophobicContact CB-CD1 4.11Å; D19-I24 HydrophobicContact CB-CG1 4.23Å; D19-I24 PolarHBondContact N-O 3.25Å; D19-I24 PolarHBondContact O-N 2.99Å
20R92.9Very high95.7Very high130 Ų13061.5 Ų61.549%0.49130%0.296SS..THydrogen-bonded Turntrans-67.6-36179.7-177.4178.3169.1-153.7-6.3110.8W17 N22 G23 F79W17-R20 HydrophobicContact CB-CB 4.12Å; W17-R20 HydrophobicContact CD2-CB 4.2Å; W17-R20 HydrophobicContact CD2-CG 4.2Å; W17-R20 HydrophobicContact CG-CB 3.98Å; W17-R20 HydrophobicContact CG-CG 4.26Å; R20-N22 VanDerWaalsContact C-N 3.34Å; R20-N22 PolarHBondContact O-N 2.91Å; R20-G23 PolarHBondContact O-N 2.95Å; R20-F79 WeakPolarHBondContact O-CE1 3.38Å
21Q92.7Very high96Very high153 Ų15367.5 Ų67.572%0.71532%0.322SS*.THydrogen-bonded Turntrans-66.2-41.1-176.4-68.1-1678.200111.2D19 G23D19-Q21 VanDerWaalsContact C-N 3.33Å; D19-Q21 PolarHBondContact OD1-N 2.85Å; Q21-G23 VanDerWaalsContact C-N 3.33Å
22N94.1Very high96.3Very high88 Ų8868.2 Ų68.247%0.47133%0.325SS..THydrogen-bonded Turntrans-89.65.7179-67.8-56.2000114D19 R20 I24 Q75D19-N22 HydrophobicContact CB-CB 4.36Å; D19-N22 PolarHBondContact OD1-N 2.73Å; D19-N22 PolarHBondContact OD2-ND2 3.17Å; R20-N22 VanDerWaalsContact C-N 3.34Å; R20-N22 PolarHBondContact O-N 2.91Å; N22-I24 VanDerWaalsContact C-N 3.29Å; N22-I24 HydrophobicContact CB-CD1 4.18Å; N22-I24 HydrophobicContact CB-CG1 4.12Å; N22-I24 PolarHBondContact O-N 2.88Å; N22-Q75 WeakPolarHBondContact O-CG 3.49Å; N22-Q75 PolarHBondContact O-NE2 2.95Å
23G95.1Very high96.4Very high0 Ų063.9 Ų63.90%030%0.297CS..THydrogen-bonded Turntrans68.821.3178.800000114.8D19 R20 Q21 Q75 F76 F79D19-G23 PolarHBondContact O-N 3.36Å; D19-G23 VanDerWaalsContact O-N 3.15Å; R20-G23 PolarHBondContact O-N 2.95Å; Q21-G23 VanDerWaalsContact C-N 3.33Å; G23-Q75 WeakPolarHBondContact O-CA 3.33Å; G23-F76 PolarHBondContact O-N 3.38Å; G23-F79 VanDerWaalsContact CA-CG 3.5Å
24I96.7Very high96.4Very high36 Ų3655.4 Ų55.419%0.18527%0.266CS..EExtended strand (participates in β ladder)trans-88.2125.6-179-51.7175.4000109.9L18 D19 N22 V67 V73 Y74 Q75L18-I24 HydrophobicContact CB-CG2 4.1Å; L18-I24 HydrophobicContact CD1-CG2 4.3Å; L18-I24 PolarHBondContact N-O 2.71Å; D19-I24 HydrophobicContact CB-CB 3.99Å; D19-I24 HydrophobicContact CB-CD1 4.11Å; D19-I24 HydrophobicContact CB-CG1 4.23Å; D19-I24 PolarHBondContact N-O 3.25Å; D19-I24 PolarHBondContact O-N 2.99Å; N22-I24 VanDerWaalsContact C-N 3.29Å; N22-I24 HydrophobicContact CB-CD1 4.18Å; N22-I24 HydrophobicContact CB-CG1 4.12Å; N22-I24 PolarHBondContact O-N 2.88Å; I24-V67 HydrophobicContact CG2-CG2 4.23Å; I24-V73 HydrophobicContact CG2-CG1 3.7Å; I24-Y74 WeakPolarHBondContact CA-O 3.33Å; I24-Q75 HydrophobicContact CG1-CB 4.15Å; I24-Q75 HydrophobicContact CG1-CG 3.83Å
25F97.5Very high96.4Very high0 Ų062.5 Ų62.50%029%0.292CS..EExtended strand (participates in β ladder)trans-136.1157178.867.7-87.7000113M1 L5 I15 K16 W17 I27 L64 V73 Y74 F76M1-F25 HydrophobicContact CE-CD2 4.4Å; M1-F25 HydrophobicContact CE-CE2 3.54Å; M1-F25 HydrophobicContact CE-CZ 4.2Å; L5-F25 HydrophobicContact CD1-CB 4Å; L5-F25 HydrophobicContact CD1-CD1 4.13Å; L5-F25 HydrophobicContact CD1-CD2 4.22Å; L5-F25 HydrophobicContact CD1-CG 3.86Å; L5-F25 HydrophobicContact CD2-CB 3.75Å; L5-F25 HydrophobicContact CD2-CG 4.36Å; I15-F25 HydrophobicContact CD1-CD2 4.05Å; I15-F25 HydrophobicContact CD1-CE2 4.32Å; I15-F25 HydrophobicContact CG1-CD2 4.29Å; K16-F25 CarbonylContact O-C 3.42Å; K16-F25 VanDerWaalsContact O-CA 3.23Å; K16-F25 WeakPolarHBondContact O-CA 3.46Å; K16-F25 VanDerWaalsContact O-CB 3.3Å; K16-F25 WeakPolarHBondContact O-CB 2.91Å; W17-F25 HydrophobicContact CE3-CB 3.89Å; W17-F25 HydrophobicContact CZ3-CB 4.16Å; W17-F25 HydrophobicContact CZ3-CD1 4.21Å; F25-I27 HydrophobicContact CE2-CG1 4.43Å; F25-L64 HydrophobicContact CE1-CD2 3.73Å; F25-L64 HydrophobicContact CZ-CD2 4.01Å; F25-V73 WeakPolarHBondContact O-CA 3.38Å; F25-Y74 AromaticContact CE2-CD2 3.79Å; F25-Y74 HydrophobicContact CE2-CD2 3.79Å; F25-Y74 HydrophobicContact CE2-CG 4.26Å; F25-Y74 HydrophobicContact CZ-CD2 4.17Å; F25-Y74 HydrophobicContact CZ-CG 4.2Å; F25-Y74 PolarHBondContact N-O 2.8Å; F25-Y74 PolarHBondContact O-N 2.82Å; F25-F76 AromaticContact CD1-CD2 3.89Å; F25-F76 HydrophobicContact CD1-CD2 3.89Å; F25-F76 AromaticContact CD1-CE2 3.63Å; F25-F76 HydrophobicContact CD1-CE2 3.63Å; F25-F76 HydrophobicContact CD1-CZ 4.43Å; F25-F76 AromaticContact CE1-CD2 3.75Å; F25-F76 HydrophobicContact CE1-CD2 3.75Å; F25-F76 HydrophobicContact CE1-CE1 4.46Å; F25-F76 AromaticContact CE1-CE2 3.4Å; F25-F76 HydrophobicContact CE1-CE2 3.4Å; F25-F76 HydrophobicContact CE1-CG 4.41Å; F25-F76 AromaticContact CE1-CZ 3.8Å; F25-F76 HydrophobicContact CE1-CZ 3.8Å; F25-F76 HydrophobicContact CZ-CE2 4.32Å; F25-F76 HydrophobicContact CZ-CZ 4.35Å
26K97.8Very high96.2Very high80 Ų8064.2 Ų64.235%0.34830%0.301SS..EExtended strand (participates in β ladder)trans-118.7133.5175.6-177.2169.2-177.7174.50110.9I15 K16 L18 L72 V73I15-K26 WeakPolarHBondContact CA-O 3.46Å; I15-K26 WeakPolarHBondContact CG1-O 3.48Å; K16-K26 HydrophobicContact CG-CB 4.4Å; K16-K26 PolarHBondContact N-O 2.98Å; K16-K26 PolarHBondContact O-N 3.43Å; L18-K26 HydrophobicContact CD1-CB 4.03Å; L18-K26 HydrophobicContact CD2-CB 3.93Å; L18-K26 HydrophobicContact CG-CB 3.92Å; K26-L72 WeakPolarHBondContact CA-O 3.47Å; K26-V73 HydrophobicContact CB-CG2 4.09Å; K26-V73 HydrophobicContact CD-CG2 4.07Å; K26-V73 HydrophobicContact CG-CG2 3.99Å
27I98.1Very high96.1Very high0 Ų061.7 Ų61.70%029%0.289CS..EExtended strand (participates in β ladder)trans-80.7116.4162.2-61177.6000107.4M1 I15 F25 V33 Y48 M51 L55 L72 Y74M1-I27 HydrophobicContact CE-CD1 3.57Å; M1-I27 HydrophobicContact CE-CG1 3.78Å; I15-I27 HydrophobicContact CD1-CG1 4.31Å; I15-I27 HydrophobicContact CG1-CG1 4.41Å; F25-I27 HydrophobicContact CE2-CG1 4.43Å; I27-V33 HydrophobicContact CD1-CG1 4.34Å; I27-V33 HydrophobicContact CG1-CG1 4.42Å; I27-V33 HydrophobicContact CG2-CB 4.03Å; I27-V33 HydrophobicContact CG2-CG1 4.31Å; I27-V33 HydrophobicContact CG2-CG2 4.03Å; I27-Y48 HydrophobicContact CD1-CE2 4.25Å; I27-M51 HydrophobicContact CD1-CE 3.87Å; I27-L55 HydrophobicContact CD1-CD1 4.3Å; I27-L72 HydrophobicContact CB-CB 4.15Å; I27-L72 PolarHBondContact N-O 2.7Å; I27-L72 VanDerWaalsContact O-CB 3.3Å; I27-L72 WeakPolarHBondContact O-CB 3.41Å; I27-L72 WeakPolarHBondContact O-CD1 3.48Å; I27-Y74 HydrophobicContact CD1-CD2 4.27Å; I27-Y74 HydrophobicContact CD1-CE2 3.77Å; I27-Y74 HydrophobicContact CG1-CD2 4.42Å; I27-Y74 HydrophobicContact CG1-CE2 4.2Å
28V97.9Very high95.9Very high70 Ų7059.6 Ų59.642%0.42428%0.282SS..SBendtrans-86.8-48.5-178.3-176.80000110.1R13 Y14 K16R13-V28 WeakPolarHBondContact O-CG1 3.36Å; Y14-V28 WeakPolarHBondContact O-CA 3.36Å; Y14-V28 WeakPolarHBondContact O-CB 3.21Å; Y14-V28 PolarHBondContact O-N 3.29Å; K16-V28 HydrophobicContact CD-CG2 4.25Å; K16-V28 HydrophobicContact CG-CG2 4.07Å
29D97.7Very high95.8Very high57 Ų5762.6 Ų62.631%0.30530%0.298SS..  trans-118.7100.6174.7-172.1-33.3000109.6Y14 K31 V32 V33Y14-D29 HydrophobicContact CD1-CB 3.92Å; Y14-D29 PolarHBondContact O-N 3.15Å; D29-K31 VanDerWaalsContact C-N 3.28Å; D29-K31 PolarHBondContact O-N 3.02Å; D29-K31 WeakPolarHBondContact OD1-CB 3.19Å; D29-K31 PolarHBondContact OD1-N 3.07Å; D29-V32 HydrophobicContact CB-CB 4.2Å; D29-V32 HydrophobicContact CB-CG2 4.37Å; D29-V32 PolarHBondContact O-N 3.42Å; D29-V32 PolarHBondContact OD1-N 3.22Å; D29-V32 WeakPolarHBondContact OD2-CG2 3.34Å; D29-V33 WeakPolarHBondContact O-CB 3.29Å; D29-V33 VanDerWaalsContact O-CG2 3.25Å; D29-V33 WeakPolarHBondContact O-CG2 3.33Å; D29-V33 PolarHBondContact O-N 3.38Å
30S97.4Very high95.4Very high37 Ų3765 Ų6526%0.25931%0.307SS..Hα-helixtrans-65.4-30.4-177.757.40000113.4S34 Y48S30-S34 VanDerWaalsContact O-CB 3.25Å; S30-S34 WeakPolarHBondContact O-CB 3.37Å; S30-S34 PolarHBondContact O-N 3.48Å; S30-S34 PolarHBondContact O-OG 3.49Å; S30-Y48 VanDerWaalsContact CB-CD2 3.43Å
31K97.4Very high95.1Very high168 Ų16861.6 Ų61.673%0.7330%0.296SS*.Hα-helixtrans-72.2-46.7-179.8-172.2178.3-179.5179.90110.3D29 S34 R35D29-K31 VanDerWaalsContact C-N 3.28Å; D29-K31 PolarHBondContact O-N 3.02Å; D29-K31 WeakPolarHBondContact OD1-CB 3.19Å; D29-K31 PolarHBondContact OD1-N 3.07Å; K31-S34 PolarHBondContact O-OG 3.07Å; K31-S34 VanDerWaalsContact O-OG 3.06Å; K31-R35 WeakPolarHBondContact O-CB 3.43Å; K31-R35 PolarHBondContact O-N 3.06Å; K31-R35 VanDerWaalsContact O-N 3.16Å
32V96.8Very high95.1Very high41 Ų4161 Ų6125%0.24830%0.297CS..Hα-helixtrans-68.5-45.9178.11770000111.1Y14 D29 S34 R35 L36Y14-V32 HydrophobicContact CD1-CB 3.92Å; Y14-V32 HydrophobicContact CD1-CG1 3.76Å; Y14-V32 HydrophobicContact CD1-CG2 4.16Å; Y14-V32 HydrophobicContact CD2-CG1 3.8Å; Y14-V32 HydrophobicContact CE1-CB 4.29Å; Y14-V32 HydrophobicContact CE1-CG1 3.98Å; Y14-V32 HydrophobicContact CE1-CG2 4.11Å; Y14-V32 HydrophobicContact CE2-CG1 4.03Å; Y14-V32 HydrophobicContact CG-CB 4.17Å; Y14-V32 HydrophobicContact CG-CG1 3.66Å; D29-V32 HydrophobicContact CB-CB 4.2Å; D29-V32 HydrophobicContact CB-CG2 4.37Å; D29-V32 PolarHBondContact O-N 3.42Å; D29-V32 PolarHBondContact OD1-N 3.22Å; D29-V32 WeakPolarHBondContact OD2-CG2 3.34Å; V32-S34 PolarHBondContact O-N 3.04Å; V32-R35 PolarHBondContact O-N 3.46Å; V32-L36 HydrophobicContact CG1-CD1 3.8Å; V32-L36 HydrophobicContact CG1-CG 4.21Å; V32-L36 WeakPolarHBondContact O-CG 3.48Å; V32-L36 PolarHBondContact O-N 2.95Å
33V96.8Very high95Very high0 Ų062.5 Ų62.50%030%0.299CS..Hα-helixtrans-62.2-42.6-179.8171.40000111.8M1 L4 Y14 I15 I27 D29 L36 W37 M51M1-V33 HydrophobicContact CE-CG1 4.16Å; M1-V33 HydrophobicContact SD-CG1 4Å; L4-V33 HydrophobicContact CD1-CG1 4.21Å; Y14-V33 WeakPolarHBondContact O-CG2 3.16Å; I15-V33 HydrophobicContact CB-CG2 3.93Å; I15-V33 HydrophobicContact CD1-CG1 4.46Å; I27-V33 HydrophobicContact CD1-CG1 4.34Å; I27-V33 HydrophobicContact CG1-CG1 4.42Å; I27-V33 HydrophobicContact CG2-CB 4.03Å; I27-V33 HydrophobicContact CG2-CG1 4.31Å; I27-V33 HydrophobicContact CG2-CG2 4.03Å; D29-V33 WeakPolarHBondContact O-CB 3.29Å; D29-V33 VanDerWaalsContact O-CG2 3.25Å; D29-V33 WeakPolarHBondContact O-CG2 3.33Å; D29-V33 PolarHBondContact O-N 3.38Å; V33-L36 PolarHBondContact O-N 3.49Å; V33-W37 VanDerWaalsContact O-CB 3.3Å; V33-W37 WeakPolarHBondContact O-CB 3.38Å; V33-W37 PolarHBondContact O-N 2.96Å; V33-M51 HydrophobicContact CG1-CE 4.16Å; V33-M51 HydrophobicContact CG1-SD 4.31Å
34S96.2Very high94.8Very high3 Ų368.3 Ų68.32%0.02134%0.337CS..Hα-helixtrans-65.4-38.5177.455.60000112.6S30 K31 V32 W37 G38 M46 Y48S30-S34 VanDerWaalsContact O-CB 3.25Å; S30-S34 WeakPolarHBondContact O-CB 3.37Å; S30-S34 PolarHBondContact O-N 3.48Å; S30-S34 PolarHBondContact O-OG 3.49Å; K31-S34 PolarHBondContact O-OG 3.07Å; K31-S34 VanDerWaalsContact O-OG 3.06Å; V32-S34 PolarHBondContact O-N 3.04Å; S34-W37 PolarHBondContact O-N 3.31Å; S34-G38 PolarHBondContact O-N 2.84Å; S34-M46 WeakPolarHBondContact O-CG 3.31Å; S34-Y48 PolarHBondContact OG-N 3.5Å
35R96.3Very high94.7Very high195 Ų19571.6 Ų71.674%0.73636%0.363SS*.Hα-helixtrans-62.5-48.1172.7-175.9-177.9176-164-0.8112.2K31 V32 W37 G38 L39K31-R35 WeakPolarHBondContact O-CB 3.43Å; K31-R35 PolarHBondContact O-N 3.06Å; K31-R35 VanDerWaalsContact O-N 3.16Å; V32-R35 PolarHBondContact O-N 3.46Å; R35-W37 VanDerWaalsContact C-N 3.33Å; R35-W37 PolarHBondContact O-N 3.05Å; R35-G38 PolarHBondContact O-N 3.35Å; R35-L39 PolarHBondContact O-N 2.82Å
36L95Very high94.6Very high36 Ų3672.8 Ų72.819%0.18837%0.369CS..Hα-helixtrans-62.9-40.8179-71.3172.4000111.6L4 F10 V32 V33 L39 H40L4-L36 HydrophobicContact CD1-CB 4.08Å; L4-L36 HydrophobicContact CD2-CB 4.03Å; L4-L36 HydrophobicContact CD2-CD1 4.14Å; F10-L36 HydrophobicContact CD1-CD1 3.65Å; F10-L36 HydrophobicContact CE1-CD1 3.97Å; F10-L36 HydrophobicContact CE1-CD2 4.02Å; F10-L36 HydrophobicContact CG-CD1 3.99Å; F10-L36 HydrophobicContact CZ-CD2 4.2Å; V32-L36 HydrophobicContact CG1-CD1 3.8Å; V32-L36 HydrophobicContact CG1-CG 4.21Å; V32-L36 WeakPolarHBondContact O-CG 3.48Å; V32-L36 PolarHBondContact O-N 2.95Å; V33-L36 PolarHBondContact O-N 3.49Å; L36-L39 PolarHBondContact O-N 2.72Å; L36-H40 PolarHBondContact O-N 3.37Å; L36-H40 VanDerWaalsContact O-N 3.09Å
37W92.9Very high94.6Very high26 Ų2672.5 Ų72.510%0.09837%0.371CS..Hα-helixtrans-65.1-40.7174.1-173.363.6000111.8V33 S34 R35 H40 K41 M46 M51 A54V33-W37 VanDerWaalsContact O-CB 3.3Å; V33-W37 WeakPolarHBondContact O-CB 3.38Å; V33-W37 PolarHBondContact O-N 2.96Å; S34-W37 PolarHBondContact O-N 3.31Å; R35-W37 VanDerWaalsContact C-N 3.33Å; R35-W37 PolarHBondContact O-N 3.05Å; W37-H40 PolarHBondContact O-N 2.98Å; W37-K41 HydrophobicContact CD2-CG 4.34Å; W37-K41 HydrophobicContact CZ2-CG 4.05Å; W37-K41 WeakPolarHBondContact O-CG 2.92Å; W37-K41 PolarHBondContact O-N 3.2Å; W37-M46 HydrophobicContact CE3-CE 3.7Å; W37-M46 HydrophobicContact CE3-CG 3.74Å; W37-M46 HydrophobicContact CE3-SD 3.63Å; W37-M46 HydrophobicContact CH2-CE 4.14Å; W37-M46 HydrophobicContact CZ3-CE 3.26Å; W37-M46 HydrophobicContact CZ3-CG 4.18Å; W37-M46 HydrophobicContact CZ3-SD 3.42Å; W37-M46 WeakPolarHBondContact CZ3-SD 3.37Å; W37-M51 HydrophobicContact CB-SD 4.04Å; W37-M51 HydrophobicContact CD2-CG 4.1Å; W37-M51 HydrophobicContact CD2-SD 4.14Å; W37-M51 HydrophobicContact CE3-CB 3.84Å; W37-M51 HydrophobicContact CE3-CG 3.49Å; W37-M51 VanDerWaalsContact CE3-CG 3.49Å; W37-M51 HydrophobicContact CE3-SD 3.92Å; W37-M51 HydrophobicContact CG-SD 4.2Å; W37-M51 HydrophobicContact CZ3-CB 3.92Å; W37-M51 HydrophobicContact CZ3-CG 3.78Å; W37-A54 HydrophobicContact CH2-CB 3.86Å; W37-A54 HydrophobicContact CZ3-CB 4.49Å
38G93.4Very high94.5Very high1 Ų175 Ų751%0.0138%0.382CS..Hα-helixtrans-59-48173.100000112.9S34 R35 H40 K41 N42 K43 M46S34-G38 PolarHBondContact O-N 2.84Å; R35-G38 PolarHBondContact O-N 3.35Å; G38-H40 VanDerWaalsContact C-N 3.3Å; G38-H40 PolarHBondContact O-N 2.93Å; G38-K41 CarbonylContact O-C 3.51Å; G38-K41 PolarHBondContact O-N 3.41Å; G38-K41 VanDerWaalsContact O-N 3.1Å; G38-N42 PolarHBondContact O-N 3.42Å; G38-K43 CarbonylContact C-O 3.56Å; G38-K43 WeakPolarHBondContact CA-O 3.28Å; G38-K43 PolarHBondContact O-N 3.2Å; G38-M46 VanDerWaalsContact CA-CB 3.42Å
39L92.7Very high94.5Very high139 Ų13977.4 Ų77.473%0.72839%0.388SS*.Hα-helixtrans-56.3-46.6176.3-176.666.1000110.9R35 L36 K41 N42R35-L39 PolarHBondContact O-N 2.82Å; L36-L39 PolarHBondContact O-N 2.72Å; L39-K41 VanDerWaalsContact C-N 3.31Å; L39-K41 PolarHBondContact O-N 3.4Å; L39-N42 PolarHBondContact O-N 2.65Å
40H88Confident94.4Very high104 Ų10478.1 Ų78.148%0.48140%0.395SS..Hα-helixtrans-64.5-32.3177.7-179.861.7000113.6L36 W37 G38L36-H40 PolarHBondContact O-N 3.37Å; L36-H40 VanDerWaalsContact O-N 3.09Å; W37-H40 PolarHBondContact O-N 2.98Å; G38-H40 VanDerWaalsContact C-N 3.3Å; G38-H40 PolarHBondContact O-N 2.93Å
41K87Confident94.3Very high60 Ų6076.5 Ų76.526%0.26138%0.383SS..THydrogen-bonded Turntrans-94.38.1178.6-62.9-65.8-67.9-178.80113.5W37 G38 L39 K43 D96W37-K41 HydrophobicContact CD2-CG 4.34Å; W37-K41 HydrophobicContact CZ2-CG 4.05Å; W37-K41 WeakPolarHBondContact O-CG 2.92Å; W37-K41 PolarHBondContact O-N 3.2Å; G38-K41 CarbonylContact O-C 3.51Å; G38-K41 PolarHBondContact O-N 3.41Å; G38-K41 VanDerWaalsContact O-N 3.1Å; L39-K41 VanDerWaalsContact C-N 3.31Å; L39-K41 PolarHBondContact O-N 3.4Å; K41-K43 VanDerWaalsContact C-N 3.29Å; K41-K43 HydrophobicContact CB-CG 4.36Å; K41-K43 PolarHBondContact O-N 3.33Å; K41-D96 PolarHBondContact NZ-O 2.88Å
42N91.6Very high94.3Very high139 Ų13968.8 Ų68.874%0.74335%0.351SS*.THydrogen-bonded Turntrans49.746.4-172.2-162.227.1000113.4G38 L39G38-N42 PolarHBondContact O-N 3.42Å; L39-N42 PolarHBondContact O-N 2.65Å
43K92.4Very high94.2Very high120 Ų12075 Ų7552%0.52237%0.37SS..  trans-123.186.2176-64.1-61.6-179.4-176.80109.1G38 K41 S45 M46G38-K43 CarbonylContact C-O 3.56Å; G38-K43 WeakPolarHBondContact CA-O 3.28Å; G38-K43 PolarHBondContact O-N 3.2Å; K41-K43 VanDerWaalsContact C-N 3.29Å; K41-K43 HydrophobicContact CB-CG 4.36Å; K41-K43 PolarHBondContact O-N 3.33Å; K43-S45 VanDerWaalsContact C-N 3.28Å; K43-S45 PolarHBondContact O-N 3.42Å; K43-M46 HydrophobicContact CB-CB 4.37Å; K43-M46 HydrophobicContact CB-CE 3.74Å; K43-M46 HydrophobicContact CG-CE 4.12Å; K43-M46 WeakPolarHBondContact O-CB 3.41Å; K43-M46 PolarHBondContact O-N 3.24Å; K43-M46 VanDerWaalsContact O-N 3.1Å
44P91.7Very high94.1Very high123 Ų12376.2 Ų76.280%0.79938%0.38SS*.THydrogen-bonded Turntrans-67.7-25.8-171.825.6-34.3000113.8M46P44-M46 PolarHBondContact O-N 3.34Å
45S94.1Very high94Very high104 Ų10476.2 Ų76.273%0.72738%0.38SS*.THydrogen-bonded Turntrans-828.2175.255.80000113.9K43 N47K43-S45 VanDerWaalsContact C-N 3.28Å; K43-S45 PolarHBondContact O-N 3.42Å; S45-N47 PolarHBondContact O-N 3.19Å
46M95.5Very high94Very high25 Ų2572.2 Ų72.212%0.12337%0.365CS..  trans-62.2129.2-178.6-170.859.565.800111.4S34 W37 G38 K43 P44 T50 M51S34-M46 WeakPolarHBondContact O-CG 3.31Å; W37-M46 HydrophobicContact CE3-CE 3.7Å; W37-M46 HydrophobicContact CE3-CG 3.74Å; W37-M46 HydrophobicContact CE3-SD 3.63Å; W37-M46 HydrophobicContact CH2-CE 4.14Å; W37-M46 HydrophobicContact CZ3-CE 3.26Å; W37-M46 HydrophobicContact CZ3-CG 4.18Å; W37-M46 HydrophobicContact CZ3-SD 3.42Å; W37-M46 WeakPolarHBondContact CZ3-SD 3.37Å; G38-M46 VanDerWaalsContact CA-CB 3.42Å; K43-M46 HydrophobicContact CB-CB 4.37Å; K43-M46 HydrophobicContact CB-CE 3.74Å; K43-M46 HydrophobicContact CG-CE 4.12Å; K43-M46 WeakPolarHBondContact O-CB 3.41Å; K43-M46 PolarHBondContact O-N 3.24Å; K43-M46 VanDerWaalsContact O-N 3.1Å; P44-M46 PolarHBondContact O-N 3.34Å; M46-T50 HydrophobicContact CE-CG2 4.45Å; M46-T50 HydrophobicContact SD-CG2 4Å; M46-M51 HydrophobicContact SD-CB 4Å
47N97.5Very high94Very high74 Ų7476.3 Ų76.340%0.39638%0.379SS..  trans-133.1176.1172.664.548.3000109.8S45 E49 T50 M51S45-N47 PolarHBondContact O-N 3.19Å; N47-E49 VanDerWaalsContact C-N 3.32Å; N47-E49 PolarHBondContact O-N 3.44Å; N47-E49 WeakPolarHBondContact OD1-CA 3.39Å; N47-E49 WeakPolarHBondContact OD1-CB 3.3Å; N47-E49 PolarHBondContact OD1-N 3.23Å; N47-T50 PolarHBondContact O-N 2.87Å; N47-T50 PolarHBondContact OD1-N 3.07Å; N47-T50 PolarHBondContact OD1-OG1 2.94Å; N47-M51 VanDerWaalsContact O-CB 3.3Å; N47-M51 WeakPolarHBondContact O-CB 3.38Å; N47-M51 PolarHBondContact O-N 3.33Å
48Y97.2Very high94.1Very high54 Ų5476.4 Ų76.421%0.21238%0.379CS..Hα-helixtrans-65.9-32.4-177.4-178.9-99.4000113.3I27 S30 S34 M51 G52 L72 Y74I27-Y48 HydrophobicContact CD1-CE2 4.25Å; S30-Y48 VanDerWaalsContact CB-CD2 3.43Å; S34-Y48 PolarHBondContact OG-N 3.5Å; Y48-M51 HydrophobicContact CD2-CE 3.52Å; Y48-M51 HydrophobicContact CE2-CE 3.98Å; Y48-G52 WeakPolarHBondContact O-CA 3.23Å; Y48-G52 PolarHBondContact O-N 2.82Å; Y48-L72 HydrophobicContact CE1-CD2 4.02Å; Y48-L72 HydrophobicContact CE2-CD2 3.74Å; Y48-L72 WeakPolarHBondContact OH-CD2 3.46Å; Y48-Y74 PolarHBondContact OH-OH 3.25Å
49E96.6Very high94Very high120 Ų12079.2 Ų79.256%0.56139%0.39SS*.Hα-helixtrans-62.8-49.2177.4-73.1-57.9140.100111.2N47 G52 R53N47-E49 VanDerWaalsContact C-N 3.32Å; N47-E49 PolarHBondContact O-N 3.44Å; N47-E49 WeakPolarHBondContact OD1-CA 3.39Å; N47-E49 WeakPolarHBondContact OD1-CB 3.3Å; N47-E49 PolarHBondContact OD1-N 3.23Å; E49-G52 PolarHBondContact O-N 3.14Å; E49-R53 WeakPolarHBondContact O-CG 3.04Å; E49-R53 PolarHBondContact O-N 3.38Å; E49-R53 VanDerWaalsContact O-N 3.15Å
50T95.7Very high93.9Very high72 Ų7280.4 Ų80.444%0.44239%0.392SS..Hα-helixtrans-66.6-45.7177.7-49.20000111.4M46 N47 G52 R53 A54M46-T50 HydrophobicContact CE-CG2 4.45Å; M46-T50 HydrophobicContact SD-CG2 4Å; N47-T50 PolarHBondContact O-N 2.87Å; N47-T50 PolarHBondContact OD1-N 3.07Å; N47-T50 PolarHBondContact OD1-OG1 2.94Å; T50-G52 VanDerWaalsContact C-N 3.28Å; T50-G52 PolarHBondContact O-N 3.15Å; T50-R53 WeakPolarHBondContact O-CB 3.36Å; T50-R53 PolarHBondContact O-N 3.35Å; T50-R53 VanDerWaalsContact O-N 3.14Å; T50-A54 PolarHBondContact O-N 2.96Å
51M95.7Very high94.2Very high2 Ų280.7 Ų80.71%0.0139%0.389CS..Hα-helixtrans-61-39.1175.3-177.8179.272.200111.5I27 V33 W37 M46 N47 Y48 R53 A54 L55I27-M51 HydrophobicContact CD1-CE 3.87Å; V33-M51 HydrophobicContact CG1-CE 4.16Å; V33-M51 HydrophobicContact CG1-SD 4.31Å; W37-M51 HydrophobicContact CB-SD 4.04Å; W37-M51 HydrophobicContact CD2-CG 4.1Å; W37-M51 HydrophobicContact CD2-SD 4.14Å; W37-M51 HydrophobicContact CE3-CB 3.84Å; W37-M51 HydrophobicContact CE3-CG 3.49Å; W37-M51 VanDerWaalsContact CE3-CG 3.49Å; W37-M51 HydrophobicContact CE3-SD 3.92Å; W37-M51 HydrophobicContact CG-SD 4.2Å; W37-M51 HydrophobicContact CZ3-CB 3.92Å; W37-M51 HydrophobicContact CZ3-CG 3.78Å; M46-M51 HydrophobicContact SD-CB 4Å; N47-M51 VanDerWaalsContact O-CB 3.3Å; N47-M51 WeakPolarHBondContact O-CB 3.38Å; N47-M51 PolarHBondContact O-N 3.33Å; Y48-M51 HydrophobicContact CD2-CE 3.52Å; Y48-M51 HydrophobicContact CE2-CE 3.98Å; M51-R53 VanDerWaalsContact C-N 3.26Å; M51-R53 PolarHBondContact O-N 3.04Å; M51-A54 WeakPolarHBondContact O-CA 3.43Å; M51-A54 WeakPolarHBondContact O-CB 3.42Å; M51-A54 PolarHBondContact O-N 3.45Å; M51-L55 PolarHBondContact O-N 2.69Å
52G96.4Very high94.5Very high7 Ų779.8 Ų79.87%0.07240%0.396CS..Hα-helixtrans-63.7-29.1177.400000112.9Y48 E49 T50 L55 R56Y48-G52 WeakPolarHBondContact O-CA 3.23Å; Y48-G52 PolarHBondContact O-N 2.82Å; E49-G52 PolarHBondContact O-N 3.14Å; T50-G52 VanDerWaalsContact C-N 3.28Å; T50-G52 PolarHBondContact O-N 3.15Å; G52-L55 PolarHBondContact O-N 3.25Å; G52-R56 PolarHBondContact O-N 2.89Å; G52-R56 PolarHBondContact O-NE 2.83Å
53R96.1Very high94.5Very high171 Ų17173.7 Ų73.765%0.64536%0.364SS*.Hα-helixtrans-64.8-43.9169.3-63-71.5164.71211111.3E49 T50 M51 L55 R56 Y57E49-R53 WeakPolarHBondContact O-CG 3.04Å; E49-R53 PolarHBondContact O-N 3.38Å; E49-R53 VanDerWaalsContact O-N 3.15Å; T50-R53 WeakPolarHBondContact O-CB 3.36Å; T50-R53 PolarHBondContact O-N 3.35Å; T50-R53 VanDerWaalsContact O-N 3.14Å; M51-R53 VanDerWaalsContact C-N 3.26Å; M51-R53 PolarHBondContact O-N 3.04Å; R53-L55 PolarHBondContact O-N 2.73Å; R53-R56 PolarHBondContact O-N 2.93Å; R53-Y57 PolarHBondContact O-N 3.35Å
54A94.1Very high94.7Very high25 Ų2568.2 Ų68.221%0.20734%0.34CS..Hα-helixtrans-63.1-41.1175.200000112.1W37 T50 M51 R56 Y57 Y58W37-A54 HydrophobicContact CH2-CB 3.86Å; W37-A54 HydrophobicContact CZ3-CB 4.49Å; T50-A54 PolarHBondContact O-N 2.96Å; M51-A54 WeakPolarHBondContact O-CA 3.43Å; M51-A54 WeakPolarHBondContact O-CB 3.42Å; M51-A54 PolarHBondContact O-N 3.45Å; A54-R56 PolarHBondContact O-N 2.81Å; A54-Y57 WeakPolarHBondContact O-CB 3.42Å; A54-Y57 PolarHBondContact O-N 3.22Å; A54-Y58 PolarHBondContact O-N 3.23Å
55L95.3Very high94.9Very high4 Ų464.9 Ų64.92%0.02132%0.317CS..Hα-helixtrans-60.5-43.6175.4-65.4176.9000112I27 M51 G52 R53 Y57 Y58 Y59 L64 Y74I27-L55 HydrophobicContact CD1-CD1 4.3Å; M51-L55 PolarHBondContact O-N 2.69Å; G52-L55 PolarHBondContact O-N 3.25Å; R53-L55 PolarHBondContact O-N 2.73Å; L55-Y57 VanDerWaalsContact C-N 3.31Å; L55-Y57 PolarHBondContact O-N 3.2Å; L55-Y58 HydrophobicContact CD2-CD2 4.3Å; L55-Y58 WeakPolarHBondContact O-CA 3.41Å; L55-Y58 WeakPolarHBondContact O-CB 3.3Å; L55-Y58 PolarHBondContact O-N 3.46Å; L55-Y59 WeakPolarHBondContact O-CD1 3.17Å; L55-Y59 WeakPolarHBondContact O-CE1 3.46Å; L55-Y59 PolarHBondContact O-N 3.38Å; L55-L64 HydrophobicContact CD2-CD1 3.58Å; L55-Y74 HydrophobicContact CD1-CE1 4.39Å; L55-Y74 HydrophobicContact CD1-CE2 3.96Å
56R95.5Very high95.1Very high110 Ų11064.3 Ų64.342%0.41530%0.302SS..Hα-helixtrans-60.7-40.2175-78.7179.1-73.8-114.5-10.8112.8G52 R53 A54 Y58 Y59 Q60G52-R56 PolarHBondContact O-N 2.89Å; G52-R56 PolarHBondContact O-NE 2.83Å; R53-R56 PolarHBondContact O-N 2.93Å; A54-R56 PolarHBondContact O-N 2.81Å; R56-Y58 PolarHBondContact O-N 3.02Å; R56-Y59 HydrophobicContact CB-CD2 4.4Å; R56-Y59 HydrophobicContact CB-CE2 4.35Å; R56-Y59 HydrophobicContact CG-CD2 4.25Å; R56-Y59 HydrophobicContact CG-CE2 3.84Å; R56-Y59 WeakPolarHBondContact O-CB 3.12Å; R56-Y59 PolarHBondContact O-N 3.1Å; R56-Q60 PolarHBondContact O-N 2.92Å
57Y95.1Very high95.1Very high123 Ų12364.4 Ų64.448%0.48230%0.304SS..Hα-helixtrans-61.3-35.3174.3-176.5-105.9000111.9R53 A54 L55 Y59 Q60 R61R53-Y57 PolarHBondContact O-N 3.35Å; A54-Y57 WeakPolarHBondContact O-CB 3.42Å; A54-Y57 PolarHBondContact O-N 3.22Å; L55-Y57 VanDerWaalsContact C-N 3.31Å; L55-Y57 PolarHBondContact O-N 3.2Å; Y57-Y59 VanDerWaalsContact C-N 3.25Å; Y57-Y59 PolarHBondContact O-N 3.33Å; Y57-Q60 PolarHBondContact O-N 3.22Å; Y57-R61 HydrophobicContact CD1-CG 4.42Å; Y57-R61 HydrophobicContact CE1-CG 4.04Å; Y57-R61 PolarHBondContact O-N 3.08Å
58Y94.3Very high94.9Very high27 Ų2767.1 Ų67.111%0.10632%0.318CS..Hα-helixtrans-67.3-22.6174-61.3-25.2000113.9A54 L55 R56 G62 I63 L64A54-Y58 PolarHBondContact O-N 3.23Å; L55-Y58 HydrophobicContact CD2-CD2 4.3Å; L55-Y58 WeakPolarHBondContact O-CA 3.41Å; L55-Y58 WeakPolarHBondContact O-CB 3.3Å; L55-Y58 PolarHBondContact O-N 3.46Å; R56-Y58 PolarHBondContact O-N 3.02Å; Y58-G62 PolarHBondContact O-N 3.04Å; Y58-I63 HydrophobicContact CD1-CD1 4.25Å; Y58-I63 PolarHBondContact O-N 3.37Å; Y58-L64 HydrophobicContact CD2-CD1 3.79Å; Y58-L64 HydrophobicContact CG-CD1 4.41Å; Y58-L64 PolarHBondContact O-N 2.99Å
59Y92.6Very high94.8Very high61 Ų6171 Ų7124%0.23935%0.353CS..Hα-helixtrans-68.5-48.9171.6-48.9-21.9000111.4L55 R56 Y57 R61 G62 L64 K66 Y74L55-Y59 WeakPolarHBondContact O-CD1 3.17Å; L55-Y59 WeakPolarHBondContact O-CE1 3.46Å; L55-Y59 PolarHBondContact O-N 3.38Å; R56-Y59 HydrophobicContact CB-CD2 4.4Å; R56-Y59 HydrophobicContact CB-CE2 4.35Å; R56-Y59 HydrophobicContact CG-CD2 4.25Å; R56-Y59 HydrophobicContact CG-CE2 3.84Å; R56-Y59 WeakPolarHBondContact O-CB 3.12Å; R56-Y59 PolarHBondContact O-N 3.1Å; Y57-Y59 VanDerWaalsContact C-N 3.25Å; Y57-Y59 PolarHBondContact O-N 3.33Å; Y59-R61 PolarHBondContact O-N 2.98Å; Y59-G62 PolarHBondContact O-N 2.81Å; Y59-L64 VanDerWaalsContact CA-O 3.26Å; Y59-L64 WeakPolarHBondContact CA-O 3.42Å; Y59-L64 HydrophobicContact CD1-CB 3.87Å; Y59-L64 WeakPolarHBondContact CD1-O 3.25Å; Y59-L64 HydrophobicContact CE1-CB 3.96Å; Y59-K66 HydrophobicContact CE1-CB 4.38Å; Y59-K66 HydrophobicContact CE2-CB 3.92Å; Y59-Y74 HydrophobicContact CE1-CD1 4.17Å; Y59-Y74 VanDerWaalsContact OH-CD1 3.28Å; Y59-Y74 WeakPolarHBondContact OH-CD1 3.3Å; Y59-Y74 WeakPolarHBondContact OH-CE1 3.37Å
60Q90.2Very high94.8Very high164 Ų16469.8 Ų69.877%0.76635%0.347SS*.Hα-helixtrans-60.4-29.7178.9-66.6175.5-27.100112R56 Y57R56-Q60 PolarHBondContact O-N 2.92Å; Y57-Q60 PolarHBondContact O-N 3.22Å
61R93.3Very high94.9Very high110 Ų11076.6 Ų76.642%0.41537%0.365SS..THydrogen-bonded Turntrans-85.9-1.4176.8-69-164.163-167.3-1.8114.9Y57 Y59 I63 S99Y57-R61 HydrophobicContact CD1-CG 4.42Å; Y57-R61 HydrophobicContact CE1-CG 4.04Å; Y57-R61 PolarHBondContact O-N 3.08Å; Y59-R61 PolarHBondContact O-N 2.98Å; R61-I63 VanDerWaalsContact C-N 3.29Å; R61-I63 HydrophobicContact CB-CD1 3.75Å; R61-I63 HydrophobicContact CB-CG1 4.02Å; R61-I63 PolarHBondContact O-N 3.46Å; R61-S99 PolarHBondContact NH1-OG 3.36Å
62G93.4Very high95Very high40 Ų4078.3 Ų78.341%0.41237%0.374SS..THydrogen-bonded Turntrans64.431.7-17800000113.5Y58 Y59 V77Y58-G62 PolarHBondContact O-N 3.04Å; Y59-G62 PolarHBondContact O-N 2.81Å; G62-V77 WeakPolarHBondContact O-CB 3.41Å; G62-V77 VanDerWaalsContact O-CG1 3.29Å; G62-V77 WeakPolarHBondContact O-CG1 3.37Å
63I93Very high95.1Very high12 Ų1278 Ų786%0.06237%0.371CS..SBendtrans-100.8-38.1179-62.1167000110.5Y58 R61 V77 S99 V102Y58-I63 HydrophobicContact CD1-CD1 4.25Å; Y58-I63 PolarHBondContact O-N 3.37Å; R61-I63 VanDerWaalsContact C-N 3.29Å; R61-I63 HydrophobicContact CB-CD1 3.75Å; R61-I63 HydrophobicContact CB-CG1 4.02Å; R61-I63 PolarHBondContact O-N 3.46Å; I63-V77 PolarHBondContact O-N 3.09Å; I63-S99 WeakPolarHBondContact CD1-O 3.45Å; I63-V102 HydrophobicContact CG2-CB 4.06Å; I63-V102 HydrophobicContact CG2-CG1 4.35Å; I63-V102 HydrophobicContact CG2-CG2 4.31Å
64L95.2Very high95.1Very high4 Ų470.1 Ų70.12%0.02134%0.341CS..EExtended strand (participates in β ladder)trans-126158.3173.8-74.6174.9000109.4F25 L55 Y58 Y59 Q75 F76F25-L64 HydrophobicContact CE1-CD2 3.73Å; F25-L64 HydrophobicContact CZ-CD2 4.01Å; L55-L64 HydrophobicContact CD2-CD1 3.58Å; Y58-L64 HydrophobicContact CD2-CD1 3.79Å; Y58-L64 HydrophobicContact CG-CD1 4.41Å; Y58-L64 PolarHBondContact O-N 2.99Å; Y59-L64 VanDerWaalsContact CA-O 3.26Å; Y59-L64 WeakPolarHBondContact CA-O 3.42Å; Y59-L64 HydrophobicContact CD1-CB 3.87Å; Y59-L64 WeakPolarHBondContact CD1-O 3.25Å; Y59-L64 HydrophobicContact CE1-CB 3.96Å; L64-Q75 CarbonylContact C-O 3.42Å; L64-Q75 WeakPolarHBondContact CA-O 3.35Å; L64-Q75 VanDerWaalsContact CD2-O 3.29Å; L64-Q75 WeakPolarHBondContact CD2-O 3.41Å; L64-F76 HydrophobicContact CD2-CB 4.44Å; L64-F76 HydrophobicContact CD2-CD1 3.41Å; L64-F76 VanDerWaalsContact CD2-CD1 3.41Å; L64-F76 HydrophobicContact CD2-CD2 4.46Å; L64-F76 HydrophobicContact CD2-CE1 3.65Å; L64-F76 HydrophobicContact CD2-CG 3.86Å; L64-F76 HydrophobicContact CD2-CZ 4.27Å; L64-F76 HydrophobicContact CG-CD1 4.32Å; L64-F76 HydrophobicContact CG-CE1 4.44Å
65T96.8Very high95.3Very high54 Ų5471.8 Ų71.833%0.33135%0.345SS..EExtended strand (participates in β ladder)trans-122.7156.4158.3650000109.5Y74 Q75 V77T65-Y74 WeakPolarHBondContact O-CA 3.3Å; T65-Q75 PolarHBondContact N-O 2.93Å; T65-Q75 PolarHBondContact O-N 3.29Å; T65-V77 HydrophobicContact CG2-CG2 3.57Å
66K97Very high95.3Very high91 Ų9172.1 Ų72.140%0.39635%0.346SS..EExtended strand (participates in β ladder)trans-86.2131.6167.3-175.9174.5171.855.10107.9Y59 D68 Y74Y59-K66 HydrophobicContact CE1-CB 4.38Å; Y59-K66 HydrophobicContact CE2-CB 3.92Å; K66-D68 PolarHBondContact O-N 3.33Å; K66-Y74 HydrophobicContact CG-CE1 4.35Å
67V96.6Very high95.2Very high27 Ų2768.8 Ų68.816%0.16434%0.338CS..PPolyproline II helixtrans-77.9120.2170.9179.50000108.2I24 Q70 V73 Q75I24-V67 HydrophobicContact CG2-CG2 4.23Å; V67-Q70 HydrophobicContact CB-CB 4.42Å; V67-Q70 HydrophobicContact CG1-CB 4.11Å; V67-Q70 HydrophobicContact CG1-CG 4.09Å; V67-Q70 PolarHBondContact O-N 3.41Å; V67-V73 HydrophobicContact CB-CB 4.1Å; V67-V73 HydrophobicContact CB-CG1 3.82Å; V67-V73 HydrophobicContact CG1-CG1 4.33Å; V67-V73 HydrophobicContact CG2-CB 4.46Å; V67-V73 HydrophobicContact CG2-CG1 3.73Å; V67-V73 PolarHBondContact N-O 3.05Å; V67-Q75 HydrophobicContact CG2-CB 4.32Å
68D94Very high95Very high131 Ų13169.3 Ų69.370%0.70135%0.349SS*.THydrogen-bonded Turntrans-62.4147.4-176.7-70.6-37.7000111.9K66 Q70K66-D68 PolarHBondContact O-N 3.33Å; D68-Q70 PolarHBondContact O-N 2.94Å
69S94.5Very high94.8Very high135 Ų13569.6 Ų69.694%0.94435%0.351SS*.THydrogen-bonded Turntrans58.91.2-178.3-56.90000115.8
70Q96.7Very high94.8Very high95 Ų9570.8 Ų70.844%0.44436%0.361SS..  trans-111.3116.8178.4-64.1-162.555.800111.7V67 D68 L72 V73V67-Q70 HydrophobicContact CB-CB 4.42Å; V67-Q70 HydrophobicContact CG1-CB 4.11Å; V67-Q70 HydrophobicContact CG1-CG 4.09Å; V67-Q70 PolarHBondContact O-N 3.41Å; D68-Q70 PolarHBondContact O-N 2.94Å; Q70-L72 PolarHBondContact O-N 3.24Å; Q70-V73 HydrophobicContact CB-CB 3.74Å; Q70-V73 HydrophobicContact CB-CG1 4.49Å; Q70-V73 HydrophobicContact CB-CG2 3.69Å
71R97.1Very high94.5Very high216 Ų21664.3 Ų64.382%0.81533%0.333SS*.THydrogen-bonded Turntrans-69.2130.5177.7-68.5-17671-173.52.6110.2V73R71-V73 PolarHBondContact O-N 3.06Å
72L97.5Very high94.2Very high38 Ų3865.1 Ų65.120%0.19935%0.346CS..THydrogen-bonded Turntrans62.321.7175.3-52.8-178.2000114.4K26 I27 Y48 Q70K26-L72 WeakPolarHBondContact CA-O 3.47Å; I27-L72 HydrophobicContact CB-CB 4.15Å; I27-L72 PolarHBondContact N-O 2.7Å; I27-L72 VanDerWaalsContact O-CB 3.3Å; I27-L72 WeakPolarHBondContact O-CB 3.41Å; I27-L72 WeakPolarHBondContact O-CD1 3.48Å; Y48-L72 HydrophobicContact CE1-CD2 4.02Å; Y48-L72 HydrophobicContact CE2-CD2 3.74Å; Y48-L72 WeakPolarHBondContact OH-CD2 3.46Å; Q70-L72 PolarHBondContact O-N 3.24Å
73V98.1Very high93.8Very high1 Ų164 Ų641%0.00633%0.333CS..EExtended strand (participates in β ladder)trans-107.3133.7176.2-173.60000109.8L18 I24 F25 K26 V67 Q70 R71L18-V73 HydrophobicContact CD1-CB 4.47Å; L18-V73 HydrophobicContact CD1-CG1 3.64Å; L18-V73 HydrophobicContact CD1-CG2 3.91Å; I24-V73 HydrophobicContact CG2-CG1 3.7Å; F25-V73 WeakPolarHBondContact O-CA 3.38Å; K26-V73 HydrophobicContact CB-CG2 4.09Å; K26-V73 HydrophobicContact CD-CG2 4.07Å; K26-V73 HydrophobicContact CG-CG2 3.99Å; V67-V73 HydrophobicContact CB-CB 4.1Å; V67-V73 HydrophobicContact CB-CG1 3.82Å; V67-V73 HydrophobicContact CG1-CG1 4.33Å; V67-V73 HydrophobicContact CG2-CB 4.46Å; V67-V73 HydrophobicContact CG2-CG1 3.73Å; V67-V73 PolarHBondContact N-O 3.05Å; Q70-V73 HydrophobicContact CB-CB 3.74Å; Q70-V73 HydrophobicContact CB-CG1 4.49Å; Q70-V73 HydrophobicContact CB-CG2 3.69Å; R71-V73 PolarHBondContact O-N 3.06Å
74Y97.7Very high93.3Very high4 Ų463.8 Ų63.82%0.01633%0.332CS..EExtended strand (participates in β ladder)trans-139.7157.7-174.7-54.3-70.8000109.5I24 F25 I27 Y48 L55 Y59 T65 K66I24-Y74 WeakPolarHBondContact CA-O 3.33Å; F25-Y74 AromaticContact CE2-CD2 3.79Å; F25-Y74 HydrophobicContact CE2-CD2 3.79Å; F25-Y74 HydrophobicContact CE2-CG 4.26Å; F25-Y74 HydrophobicContact CZ-CD2 4.17Å; F25-Y74 HydrophobicContact CZ-CG 4.2Å; F25-Y74 PolarHBondContact N-O 2.8Å; F25-Y74 PolarHBondContact O-N 2.82Å; I27-Y74 HydrophobicContact CD1-CD2 4.27Å; I27-Y74 HydrophobicContact CD1-CE2 3.77Å; I27-Y74 HydrophobicContact CG1-CD2 4.42Å; I27-Y74 HydrophobicContact CG1-CE2 4.2Å; Y48-Y74 PolarHBondContact OH-OH 3.25Å; L55-Y74 HydrophobicContact CD1-CE1 4.39Å; L55-Y74 HydrophobicContact CD1-CE2 3.96Å; Y59-Y74 HydrophobicContact CE1-CD1 4.17Å; Y59-Y74 VanDerWaalsContact OH-CD1 3.28Å; Y59-Y74 WeakPolarHBondContact OH-CD1 3.3Å; Y59-Y74 WeakPolarHBondContact OH-CE1 3.37Å; T65-Y74 WeakPolarHBondContact O-CA 3.3Å; K66-Y74 HydrophobicContact CG-CE1 4.35Å
75Q96.6Very high92.4Very high61 Ų6166.9 Ų66.929%0.28535%0.352SS..EExtended strand (participates in β ladder)trans-130.1136.6177.4-177.4-18018.800109.8N22 G23 I24 L64 T65 V67N22-Q75 WeakPolarHBondContact O-CG 3.49Å; N22-Q75 PolarHBondContact O-NE2 2.95Å; G23-Q75 WeakPolarHBondContact O-CA 3.33Å; I24-Q75 HydrophobicContact CG1-CB 4.15Å; I24-Q75 HydrophobicContact CG1-CG 3.83Å; L64-Q75 CarbonylContact C-O 3.42Å; L64-Q75 WeakPolarHBondContact CA-O 3.35Å; L64-Q75 VanDerWaalsContact CD2-O 3.29Å; L64-Q75 WeakPolarHBondContact CD2-O 3.41Å; T65-Q75 PolarHBondContact N-O 2.93Å; T65-Q75 PolarHBondContact O-N 3.29Å; V67-Q75 HydrophobicContact CG2-CB 4.32Å
76F95.6Very high91.2Very high11 Ų1170.5 Ų70.55%0.04837%0.365CS..EExtended strand (participates in β ladder)trans-73.1128.3166.3-71.4-73.7000110.3M1 L2 L5 W17 G23 F25 L64 F79 V102M1-F76 HydrophobicContact CB-CZ 4.35Å; L2-F76 HydrophobicContact CD2-CD2 4.32Å; L2-F76 HydrophobicContact CD2-CE2 3.64Å; L2-F76 HydrophobicContact CD2-CZ 3.82Å; L2-F76 HydrophobicContact CG-CE1 4.44Å; L2-F76 HydrophobicContact CG-CE2 4.18Å; L2-F76 HydrophobicContact CG-CZ 3.82Å; L5-F76 HydrophobicContact CD1-CE2 4.06Å; W17-F76 AromaticContact CH2-CD2 3.86Å; W17-F76 HydrophobicContact CH2-CD2 3.86Å; W17-F76 AromaticContact CH2-CE2 3.73Å; W17-F76 HydrophobicContact CH2-CE2 3.73Å; W17-F76 AromaticContact CZ3-CD2 3.99Å; W17-F76 HydrophobicContact CZ3-CD2 3.99Å; W17-F76 HydrophobicContact CZ3-CE2 4.11Å; G23-F76 PolarHBondContact O-N 3.38Å; F25-F76 AromaticContact CD1-CD2 3.89Å; F25-F76 HydrophobicContact CD1-CD2 3.89Å; F25-F76 AromaticContact CD1-CE2 3.63Å; F25-F76 HydrophobicContact CD1-CE2 3.63Å; F25-F76 HydrophobicContact CD1-CZ 4.43Å; F25-F76 AromaticContact CE1-CD2 3.75Å; F25-F76 HydrophobicContact CE1-CD2 3.75Å; F25-F76 HydrophobicContact CE1-CE1 4.46Å; F25-F76 AromaticContact CE1-CE2 3.4Å; F25-F76 HydrophobicContact CE1-CE2 3.4Å; F25-F76 HydrophobicContact CE1-CG 4.41Å; F25-F76 AromaticContact CE1-CZ 3.8Å; F25-F76 HydrophobicContact CE1-CZ 3.8Å; F25-F76 HydrophobicContact CZ-CE2 4.32Å; F25-F76 HydrophobicContact CZ-CZ 4.35Å; L64-F76 HydrophobicContact CD2-CB 4.44Å; L64-F76 HydrophobicContact CD2-CD1 3.41Å; L64-F76 VanDerWaalsContact CD2-CD1 3.41Å; L64-F76 HydrophobicContact CD2-CD2 4.46Å; L64-F76 HydrophobicContact CD2-CE1 3.65Å; L64-F76 HydrophobicContact CD2-CG 3.86Å; L64-F76 HydrophobicContact CD2-CZ 4.27Å; L64-F76 HydrophobicContact CG-CD1 4.32Å; L64-F76 HydrophobicContact CG-CE1 4.44Å; F76-F79 HydrophobicContact CB-CB 3.7Å; F76-F79 HydrophobicContact CB-CD2 3.67Å; F76-F79 HydrophobicContact CB-CG 4Å; F76-F79 AromaticContact CD2-CD2 3.96Å; F76-F79 HydrophobicContact CD2-CD2 3.96Å; F76-F79 HydrophobicContact CD2-CE2 4.26Å; F76-F79 HydrophobicContact CG-CD2 4.02Å; F76-V102 HydrophobicContact CD1-CG1 4.3Å; F76-V102 HydrophobicContact CD1-CG2 4.43Å; F76-V102 HydrophobicContact CE1-CG2 4.31Å
77V93.7Very high90Very high39 Ų3967.8 Ų67.824%0.23635%0.354CS..THydrogen-bonded Turntrans-74140.3173.4178.10000108.7G62 I63 T65 F79G62-V77 WeakPolarHBondContact O-CB 3.41Å; G62-V77 VanDerWaalsContact O-CG1 3.29Å; G62-V77 WeakPolarHBondContact O-CG1 3.37Å; I63-V77 PolarHBondContact O-N 3.09Å; T65-V77 HydrophobicContact CG2-CG2 3.57Å; V77-F79 PolarHBondContact O-N 3.44Å
78N90.5Very high88.8Confident134 Ų13469.3 Ų69.372%0.71736%0.361SS*.THydrogen-bonded Turntrans5237.7-179.7-57.8-24.6000113.2N80N78-N80 PolarHBondContact O-N 2.85Å
79F91.9Very high87.1Confident34 Ų3470.5 Ų70.515%0.14936%0.363CS..  trans-71123-175.2179.6-96.7000111.7L2 W17 R20 G23 F76 V77 P81 I84L2-F79 HydrophobicContact CD2-CE2 4.14Å; W17-F79 AromaticContact CH2-CE2 3.79Å; W17-F79 HydrophobicContact CH2-CE2 3.79Å; W17-F79 AromaticContact CH2-CZ 3.82Å; W17-F79 HydrophobicContact CH2-CZ 3.82Å; W17-F79 HydrophobicContact CZ2-CZ 4.31Å; W17-F79 HydrophobicContact CZ3-CE2 4.49Å; W17-F79 HydrophobicContact CZ3-CZ 4.38Å; R20-F79 WeakPolarHBondContact O-CE1 3.38Å; G23-F79 VanDerWaalsContact CA-CG 3.5Å; F76-F79 HydrophobicContact CB-CB 3.7Å; F76-F79 HydrophobicContact CB-CD2 3.67Å; F76-F79 HydrophobicContact CB-CG 4Å; F76-F79 AromaticContact CD2-CD2 3.96Å; F76-F79 HydrophobicContact CD2-CD2 3.96Å; F76-F79 HydrophobicContact CD2-CE2 4.26Å; F76-F79 HydrophobicContact CG-CD2 4.02Å; V77-F79 PolarHBondContact O-N 3.44Å; F79-P81 VanDerWaalsContact CE1-CA 3.49Å; F79-P81 HydrophobicContact CE1-CB 3.72Å; F79-P81 HydrophobicContact CE1-CG 4.27Å; F79-P81 HydrophobicContact CZ-CB 4.29Å; F79-I84 HydrophobicContact CE2-CD1 3.89Å; F79-I84 HydrophobicContact CE2-CG1 4.15Å; F79-I84 HydrophobicContact CZ-CD1 3.55Å; F79-I84 HydrophobicContact CZ-CG1 4.01Å
80N90.8Very high85Confident85 Ų8569.8 Ų69.846%0.45535%0.348SS..  trans-108109.8169.9-175.9-12.6000109.8N78 D82 A83N78-N80 PolarHBondContact O-N 2.85Å; N80-D82 PolarHBondContact O-N 3.25Å; N80-D82 WeakPolarHBondContact OD1-CB 3.25Å; N80-D82 PolarHBondContact OD1-N 3.28Å; N80-A83 HydrophobicContact CB-CB 4.21Å; N80-A83 PolarHBondContact O-N 2.91Å
81P85.6Confident82.8Confident28 Ų2867.9 Ų67.918%0.18235%0.346CS..G310 helixtrans-60.9-27.6-179.820.6-29.8000114F79 A83 I84F79-P81 VanDerWaalsContact CE1-CA 3.49Å; F79-P81 HydrophobicContact CE1-CB 3.72Å; F79-P81 HydrophobicContact CE1-CG 4.27Å; F79-P81 HydrophobicContact CZ-CB 4.29Å; P81-A83 VanDerWaalsContact C-N 3.31Å; P81-I84 PolarHBondContact O-N 3.38Å
82D87Confident80Confident127 Ų12762.4 Ų62.468%0.67934%0.336SS*.G310 helixtrans-78.9-19.3-176.6-59.7-33.3000112N80 I84 P85N80-D82 PolarHBondContact O-N 3.25Å; N80-D82 WeakPolarHBondContact OD1-CB 3.25Å; N80-D82 PolarHBondContact OD1-N 3.28Å; D82-I84 VanDerWaalsContact C-N 3.31Å; D82-I84 PolarHBondContact O-N 3.26Å; D82-P85 VanDerWaalsContact O-CD 3.31Å; D82-P85 WeakPolarHBondContact O-CD 3.33Å
83A84.5Confident77.2Confident17 Ų1767.1 Ų67.114%0.1437%0.369CS..G310 helixtrans-77.5-14.8174.900000113.2N80 P81 P85 H86 L87N80-A83 HydrophobicContact CB-CB 4.21Å; N80-A83 PolarHBondContact O-N 2.91Å; P81-A83 VanDerWaalsContact C-N 3.31Å; A83-P85 VanDerWaalsContact C-CD 3.49Å; A83-H86 PolarHBondContact O-N 3.36Å; A83-L87 WeakPolarHBondContact O-CG 3.25Å; A83-L87 PolarHBondContact O-N 2.83Å
84I82.1Confident74.1Confident7 Ų777 Ų774%0.03641%0.407CS..Hα-helixtrans-53.5-47-174.5-76.4-164000114.1L2 W17 F79 P81 D82 H86 L87 L88L2-I84 HydrophobicContact CD2-CD1 4.09Å; W17-I84 HydrophobicContact CH2-CD1 4.49Å; W17-I84 HydrophobicContact CZ2-CD1 3.9Å; F79-I84 HydrophobicContact CE2-CD1 3.89Å; F79-I84 HydrophobicContact CE2-CG1 4.15Å; F79-I84 HydrophobicContact CZ-CD1 3.55Å; F79-I84 HydrophobicContact CZ-CG1 4.01Å; P81-I84 PolarHBondContact O-N 3.38Å; D82-I84 VanDerWaalsContact C-N 3.31Å; D82-I84 PolarHBondContact O-N 3.26Å; I84-H86 VanDerWaalsContact C-N 3.29Å; I84-H86 PolarHBondContact O-N 3.1Å; I84-L87 PolarHBondContact O-N 3.47Å; I84-L88 HydrophobicContact CG2-CD1 3.84Å; I84-L88 HydrophobicContact CG2-CG 4.3Å; I84-L88 WeakPolarHBondContact O-CG 3.15Å; I84-L88 PolarHBondContact O-N 2.86Å
85P76Confident71.1Confident70 Ų7083.3 Ų83.346%0.45545%0.45SS..Hα-helixtrans-54.4-47.1-179-26.235.9000112D82 A83 L87 L88 E89D82-P85 VanDerWaalsContact O-CD 3.31Å; D82-P85 WeakPolarHBondContact O-CD 3.33Å; A83-P85 VanDerWaalsContact C-CD 3.49Å; P85-L87 PolarHBondContact O-N 3.49Å; P85-L88 PolarHBondContact O-N 3.37Å; P85-E89 PolarHBondContact O-N 2.9Å
86H72.2Confident68.1Low130 Ų13083.7 Ų83.760%0.60245%0.454SS*.Hα-helixtrans-64.3-38.4179.8-58.4-55.7000112.7A83 I84 L88 E89A83-H86 PolarHBondContact O-N 3.36Å; I84-H86 VanDerWaalsContact C-N 3.29Å; I84-H86 PolarHBondContact O-N 3.1Å; H86-L88 VanDerWaalsContact C-N 3.26Å; H86-L88 PolarHBondContact O-N 3.31Å; H86-E89 PolarHBondContact O-N 3.2Å
87L71.9Confident65.5Low33 Ų3388.3 Ų88.317%0.17348%0.479CS..Hα-helixtrans-70.4-20.3179.2-62.4-179.2000113.8L2 A83 I84 P85 I101 A105L2-L87 HydrophobicContact CD1-CD1 4.25Å; A83-L87 WeakPolarHBondContact O-CG 3.25Å; A83-L87 PolarHBondContact O-N 2.83Å; I84-L87 PolarHBondContact O-N 3.47Å; P85-L87 PolarHBondContact O-N 3.49Å; L87-I101 HydrophobicContact CB-CG2 3.99Å; L87-I101 HydrophobicContact CD2-CG2 3.72Å; L87-I101 VanDerWaalsContact CD2-O 3.24Å; L87-I101 WeakPolarHBondContact CD2-O 3.44Å; L87-I101 HydrophobicContact CG-CG2 4.29Å; L87-A105 HydrophobicContact CD2-CB 4.36Å
88L70.5Confident63Low59 Ų5988 Ų8831%0.30948%0.479SS..Hα-helixtrans-88.1-26.9178.4-66.9177.5000112.5L2 K3 C6 I84 P85 H86L2-L88 HydrophobicContact CB-CD2 4.45Å; K3-L88 HydrophobicContact CB-CD2 4.15Å; C6-L88 HydrophobicContact CB-CD1 3.89Å; I84-L88 HydrophobicContact CG2-CD1 3.84Å; I84-L88 HydrophobicContact CG2-CG 4.3Å; I84-L88 WeakPolarHBondContact O-CG 3.15Å; I84-L88 PolarHBondContact O-N 2.86Å; P85-L88 PolarHBondContact O-N 3.37Å; H86-L88 VanDerWaalsContact C-N 3.26Å; H86-L88 PolarHBondContact O-N 3.31Å
89E58.8Low60.9Low156 Ų15681.8 Ų81.873%0.72945%0.445SS*.Hα-helixtrans-70.8-36177.3-73.7177.2159.900112P85 H86 S91P85-E89 PolarHBondContact O-N 2.9Å; H86-E89 PolarHBondContact O-N 3.2Å; E89-S91 PolarHBondContact O-N 3.24Å
90D51.1Low58.3Low120 Ų12083.4 Ų83.464%0.64245%0.453SS*.THydrogen-bonded Turntrans-79.813.6-172.2-128.34000114.8T92D90-T92 PolarHBondContact O-N 3.16Å
91S49Very low56.1Low56 Ų5682 Ų8239%0.39245%0.446SS..  trans-75.958.4177.1-62.30000112E89E89-S91 PolarHBondContact O-N 3.24Å
92T39Very low54.2Low100 Ų10082 Ų8261%0.61345%0.445SS*.  trans-71.6148.7162.8580000109.8D90 R94D90-T92 PolarHBondContact O-N 3.16Å; T92-R94 PolarHBondContact O-N 3.42Å
93P38Very low51.9Low138 Ų13878.5 Ų78.590%0.89643%0.434SS*.SBendtrans-80.259.7-174.935.2-35.5000110.5
94R34.3Very low49.8Very low208 Ų20886 Ų8679%0.78546%0.458SS*.SBendtrans-88.3138.2150.8-101.5178.1175.7-147.7-1107.2T92 D96T92-R94 PolarHBondContact O-N 3.42Å; R94-D96 PolarHBondContact O-N 3.19Å
95C34.2Very low47.8Very low137 Ų13788.3 Ų88.393%0.92648%0.478SS*.  trans-62.466.1171.7-62.90000109.5
96D33.8Very low45.7Very low69 Ų6989.2 Ų89.237%0.36948%0.483SS..  trans-98.7135.9-175.1-121.6-33.9000110.1K41 R94 S98K41-D96 PolarHBondContact NZ-O 2.88Å; R94-D96 PolarHBondContact O-N 3.19Å; D96-S98 PolarHBondContact O-N 3.22Å; D96-S98 VanDerWaalsContact O-N 3.07Å
97N40.4Very low44Very low107 Ų10796.1 Ų96.157%0.57251%0.511SS*.  trans-57.3116.9177.3-84.6-39.8000106.7S99 E100N97-S99 WeakPolarHBondContact CB-OG 3.43Å; N97-S99 PolarHBondContact O-N 2.98Å; N97-E100 PolarHBondContact O-N 2.97Å
98S41.5Very low42.6Very low34 Ų3499.3 Ų99.324%0.23853%0.528CS..THydrogen-bonded Turntrans-59.71.9179.7-59.30000113.8D96D96-S98 PolarHBondContact O-N 3.22Å; D96-S98 VanDerWaalsContact O-N 3.07Å
99S45.4Very low41.1Very low2 Ų2101.4 Ų101.41%0.01454%0.54CS..THydrogen-bonded Turntrans-83-20.1170.3330000114.2R61 I63 N97R61-S99 PolarHBondContact NH1-OG 3.36Å; I63-S99 WeakPolarHBondContact CD1-O 3.45Å; N97-S99 WeakPolarHBondContact CB-OG 3.43Å; N97-S99 PolarHBondContact O-N 2.98Å
100E38.8Very low40.1Very low68 Ų6898.4 Ų98.432%0.31853%0.529SS..Hα-helixtrans-83.3-30.3-177.6-149.4169.3144.800112.6N97 V102 A103 R104N97-E100 PolarHBondContact O-N 2.97Å; E100-V102 VanDerWaalsContact C-N 3.33Å; E100-V102 PolarHBondContact O-N 3.49Å; E100-A103 PolarHBondContact O-N 2.97Å; E100-R104 HydrophobicContact CG-CG 4.2Å; E100-R104 WeakPolarHBondContact O-CG 3.33Å; E100-R104 PolarHBondContact O-N 3.37Å; E100-R104 IonicContact OE1-CZ 3.19Å; E100-R104 IonicContact OE1-NE 2.91Å; E100-R104 PolarHBondContact OE1-NE 3.47Å; E100-R104 IonicContact OE1-NH2 2.73Å; E100-R104 PolarHBondContact OE1-NH2 3.23Å
101I44.5Very low39.4Very low57 Ų5797.1 Ų97.129%0.29252%0.523SS..Hα-helixtrans-65.3-34.6-178.5-63-178.3000112L87L87-I101 HydrophobicContact CB-CG2 3.99Å; L87-I101 HydrophobicContact CD2-CG2 3.72Å; L87-I101 VanDerWaalsContact CD2-O 3.24Å; L87-I101 WeakPolarHBondContact CD2-O 3.44Å; L87-I101 HydrophobicContact CG-CG2 4.29Å
102V44.5Very low38.9Very low26 Ų2699.7 Ų99.716%0.15853%0.531CS..Hα-helixtrans-80.5-26.8177.4-1670000111.5L2 I63 F76 E100L2-V102 HydrophobicContact CD1-CG2 4.34Å; I63-V102 HydrophobicContact CG2-CB 4.06Å; I63-V102 HydrophobicContact CG2-CG1 4.35Å; I63-V102 HydrophobicContact CG2-CG2 4.31Å; F76-V102 HydrophobicContact CD1-CG1 4.3Å; F76-V102 HydrophobicContact CD1-CG2 4.43Å; F76-V102 HydrophobicContact CE1-CG2 4.31Å; E100-V102 VanDerWaalsContact C-N 3.33Å; E100-V102 PolarHBondContact O-N 3.49Å
103A40.1Very low38.8Very low54 Ų5499.7 Ų99.745%0.44653%0.525SS..Hα-helixtrans-85.2-23.4-178.300000113.8E100 A105E100-A103 PolarHBondContact O-N 2.97Å; A103-A105 VanDerWaalsContact C-N 3.33Å
104R39.4Very low38.9Very low174 Ų17496.9 Ų96.966%0.65750%0.499SS*.G310 helixtrans-77.5-14.3179.3-79.5-179.2174.5-156.50.7114.3E100 T106E100-R104 HydrophobicContact CG-CG 4.2Å; E100-R104 WeakPolarHBondContact O-CG 3.33Å; E100-R104 PolarHBondContact O-N 3.37Å; E100-R104 IonicContact OE1-CZ 3.19Å; E100-R104 IonicContact OE1-NE 2.91Å; E100-R104 PolarHBondContact OE1-NE 3.47Å; E100-R104 IonicContact OE1-NH2 2.73Å; E100-R104 PolarHBondContact OE1-NH2 3.23Å; R104-T106 PolarHBondContact O-N 3.05Å; R104-T106 VanDerWaalsContact O-N 3.17Å
105A40Very low39.3Very low56 Ų5688.4 Ų88.446%0.46348%0.477SS..G310 helixtrans-7913.1179.800000114.5L87 A103L87-A105 HydrophobicContact CD2-CB 4.36Å; A103-A105 VanDerWaalsContact C-N 3.33Å
106T33.2Very low39.7Very low90 Ų9084.3 Ų84.355%0.55244%0.44SS*.G310 helixtrans-128.821.9-169.9-11.20000115.7R104R104-T106 PolarHBondContact O-N 3.05Å; R104-T106 VanDerWaalsContact O-N 3.17Å
107K34.9Very low40.2Very low275 Ų27585.7 Ų85.7100%1.19645%0.446SS*.  trans-141.60161.3-79.5-161176.2-1620111.6

Retrieved 107 of 107 residues in 61.3 ms (Link to these results)

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