A0A077ZLI4_TRITR Loading...

Sdh5 domain containing protein

AlphaFold DB (P64559), UniProt , Accession A0A077ZLI4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 88 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
1M90.5Very high96.3Very high64 Ų6484.8 Ų84.832%0.31541%0.411SS..  0153.60168.8-171.3-37.900109.9R8 I9 A12 I44M1-R8 HydrophobicContact CE-CG 4.09Å; M1-R8 HydrophobicContact CG-CB 4.42Å; M1-R8 HydrophobicContact CG-CG 4.01Å; M1-R8 HydrophobicContact SD-CB 4.18Å; M1-R8 HydrophobicContact SD-CG 3.79Å; M1-I9 HydrophobicContact CG-CG1 4.08Å; M1-I9 VanDerWaalsContact SD-CA 3.52Å; M1-I9 HydrophobicContact SD-CB 3.97Å; M1-I9 HydrophobicContact SD-CG1 3.32Å; M1-I9 WeakPolarHBondContact SD-CG1 3.3Å; M1-A12 HydrophobicContact CE-CB 3.69Å; M1-I44 HydrophobicContact CB-CD1 4.35Å; M1-I44 HydrophobicContact CB-CG2 3.65Å; M1-I44 HydrophobicContact CG-CD1 4.27Å; M1-I44 HydrophobicContact CG-CG2 4.48Å
2D95Very high96.4Very high91 Ų9178.9 Ų78.949%0.48739%0.386SS..  trans-76.4132.3178.9178.13.1000111.2N4 N5D2-N4 PolarHBondContact O-N 2.71Å; D2-N4 PolarHBondContact OD1-N 2.81Å; D2-N4 PolarHBondContact OD1-ND2 3.03Å; D2-N5 HydrophobicContact CB-CB 4.18Å; D2-N5 PolarHBondContact O-N 2.88Å
3I97.1Very high96.5Very high18 Ų1872.8 Ų72.89%0.09236%0.357CS..THydrogen-bonded Turntrans-59.4-24.2178.264.4171.9000113.6Y32 D37 K40 R41 I44I3-Y32 VanDerWaalsContact CA-OH 3.3Å; I3-Y32 WeakPolarHBondContact CA-OH 3.45Å; I3-Y32 WeakPolarHBondContact O-CE1 3.29Å; I3-Y32 PolarHBondContact O-OH 3.3Å; I3-D37 HydrophobicContact CD1-CB 3.93Å; I3-K40 HydrophobicContact CB-CB 3.93Å; I3-K40 HydrophobicContact CB-CD 4.33Å; I3-K40 HydrophobicContact CG2-CB 3.68Å; I3-R41 HydrophobicContact CG2-CG 3.78Å; I3-I44 HydrophobicContact CB-CD1 4.37Å; I3-I44 HydrophobicContact CG2-CD1 3.89Å
4N95.9Very high96.5Very high119 Ų11979.9 Ų79.964%0.63638%0.378SS*.THydrogen-bonded Turntrans-89.1-13.7179.2-62-59.8000113D2 K6D2-N4 PolarHBondContact O-N 2.71Å; D2-N4 PolarHBondContact OD1-N 2.81Å; D2-N4 PolarHBondContact OD1-ND2 3.03Å; N4-K6 VanDerWaalsContact C-N 3.26Å; N4-K6 PolarHBondContact O-N 2.87Å
5N96.7Very high96.4Very high70 Ų7077.9 Ų77.937%0.37437%0.365SS..  trans-84.368.3-178.3-167.2-22.7000111.5D2 A7 R8 I9D2-N5 HydrophobicContact CB-CB 4.18Å; D2-N5 PolarHBondContact O-N 2.88Å; N5-A7 PolarHBondContact O-N 2.92Å; N5-R8 HydrophobicContact CB-CB 4.26Å; N5-R8 PolarHBondContact O-N 3.31Å; N5-R8 WeakPolarHBondContact OD1-CB 3.35Å; N5-R8 PolarHBondContact OD1-N 3.23Å; N5-R8 VanDerWaalsContact OD1-N 3.12Å; N5-I9 WeakPolarHBondContact O-CD1 3.32Å; N5-I9 VanDerWaalsContact O-CG1 3.32Å; N5-I9 WeakPolarHBondContact O-CG1 3.38Å; N5-I9 PolarHBondContact O-N 3.45Å
6K96.6Very high96.3Very high88 Ų8877.6 Ų77.638%0.38339%0.389SS..Hα-helixtrans-54.6-36.5-178.4-71.6-172.6179.5-178.90113.7N4 R8 I9 H10 F28 Y32 D33N4-K6 VanDerWaalsContact C-N 3.26Å; N4-K6 PolarHBondContact O-N 2.87Å; K6-R8 VanDerWaalsContact C-N 3.34Å; K6-R8 PolarHBondContact O-N 3.46Å; K6-I9 PolarHBondContact O-N 3.2Å; K6-H10 WeakPolarHBondContact O-CB 3.27Å; K6-H10 PolarHBondContact O-N 3.48Å; K6-F28 HydrophobicContact CB-CZ 4.19Å; K6-F28 HydrophobicContact CG-CZ 4.47Å; K6-F28 WeakPolarHBondContact O-CZ 3.21Å; K6-Y32 HydrophobicContact CG-CE1 4.36Å; K6-D33 WeakPolarHBondContact CE-OD1 3.24Å; K6-D33 IonicContact NZ-OD1 3.75Å; K6-D33 PolarHBondContact NZ-OD1 2.81Å; K6-D33 IonicContact NZ-OD2 2.59Å; K6-D33 PolarHBondContact NZ-OD2 3.38Å
7A97.3Very high96.2Very high78 Ų7876.4 Ų76.465%0.64538%0.383SS*.Hα-helixtrans-62.3-42.4178.400000111.7N5 W11N5-A7 PolarHBondContact O-N 2.92Å; A7-W11 PolarHBondContact O-N 3.43Å; A7-W11 VanDerWaalsContact O-N 3.1Å
8R97.5Very high96.1Very high151 Ų15181 Ų8157%0.5740%0.395SS*.Hα-helixtrans-70.4-38.6176.8-172.5172.8173.3164.62112.1M1 N5 K6 W11 A12M1-R8 HydrophobicContact CE-CG 4.09Å; M1-R8 HydrophobicContact CG-CB 4.42Å; M1-R8 HydrophobicContact CG-CG 4.01Å; M1-R8 HydrophobicContact SD-CB 4.18Å; M1-R8 HydrophobicContact SD-CG 3.79Å; N5-R8 HydrophobicContact CB-CB 4.26Å; N5-R8 PolarHBondContact O-N 3.31Å; N5-R8 WeakPolarHBondContact OD1-CB 3.35Å; N5-R8 PolarHBondContact OD1-N 3.23Å; N5-R8 VanDerWaalsContact OD1-N 3.12Å; K6-R8 VanDerWaalsContact C-N 3.34Å; K6-R8 PolarHBondContact O-N 3.46Å; R8-W11 PolarHBondContact O-N 3.21Å; R8-A12 PolarHBondContact O-N 3.35Å
9I98Very high96Very high0 Ų081.4 Ų81.40%040%0.396CS..Hα-helixtrans-66.7-47.2178.1-58.3155.5000110.3M1 N5 K6 W11 A12 C13 F28 Y32 F43 I44 L47M1-I9 HydrophobicContact CG-CG1 4.08Å; M1-I9 VanDerWaalsContact SD-CA 3.52Å; M1-I9 HydrophobicContact SD-CB 3.97Å; M1-I9 HydrophobicContact SD-CG1 3.32Å; M1-I9 WeakPolarHBondContact SD-CG1 3.3Å; N5-I9 WeakPolarHBondContact O-CD1 3.32Å; N5-I9 VanDerWaalsContact O-CG1 3.32Å; N5-I9 WeakPolarHBondContact O-CG1 3.38Å; N5-I9 PolarHBondContact O-N 3.45Å; K6-I9 PolarHBondContact O-N 3.2Å; I9-W11 VanDerWaalsContact C-N 3.26Å; I9-W11 PolarHBondContact O-N 2.79Å; I9-A12 CarbonylContact O-C 3.56Å; I9-A12 PolarHBondContact O-N 3.37Å; I9-C13 PolarHBondContact O-N 3.08Å; I9-C13 PolarHBondContact O-SG 2.95Å; I9-F28 HydrophobicContact CB-CD2 4.39Å; I9-F28 HydrophobicContact CB-CE2 3.71Å; I9-F28 HydrophobicContact CB-CZ 4.18Å; I9-F28 HydrophobicContact CG2-CD2 3.52Å; I9-F28 HydrophobicContact CG2-CE2 3.3Å; I9-F28 HydrophobicContact CG2-CZ 4.18Å; I9-Y32 HydrophobicContact CD1-CE1 3.92Å; I9-Y32 HydrophobicContact CD1-CE2 4.22Å; I9-Y32 WeakPolarHBondContact CD1-OH 3.16Å; I9-Y32 HydrophobicContact CG2-CE2 4.29Å; I9-F43 HydrophobicContact CG2-CD1 4.29Å; I9-F43 HydrophobicContact CG2-CE1 3.93Å; I9-I44 HydrophobicContact CD1-CD1 3.95Å; I9-I44 HydrophobicContact CD1-CG1 4.46Å; I9-I44 HydrophobicContact CG1-CD1 4Å; I9-I44 HydrophobicContact CG1-CG1 4.19Å; I9-L47 HydrophobicContact CG2-CD1 3.78Å
10H97.7Very high96Very high69 Ų6977.3 Ų77.332%0.31938%0.376SS..Hα-helixtrans-54.7-43.6174.2-177.1-73.4000111.1K6 C13 M25 F28 E29K6-H10 WeakPolarHBondContact O-CB 3.27Å; K6-H10 PolarHBondContact O-N 3.48Å; H10-C13 WeakPolarHBondContact O-CB 3.36Å; H10-C13 PolarHBondContact O-N 2.93Å; H10-M25 WeakPolarHBondContact O-CE 3.13Å; H10-F28 HydrophobicContact CB-CD1 4.16Å; H10-F28 HydrophobicContact CB-CE1 3.45Å; H10-F28 VanDerWaalsContact CB-CE1 3.45Å; H10-F28 HydrophobicContact CB-CZ 3.94Å; H10-F28 AromaticContact CD2-CE1 3.67Å; H10-F28 AromaticContact CG-CE1 3.92Å; H10-E29 IonicContact NE2-OE1 3.92Å
11W97Very high96Very high185 Ų18576 Ų7670%0.70137%0.371SS*.Hα-helixtrans-63.7-42.2176.4-170.388.9000112.2A7 R8 I9 C13 R14A7-W11 PolarHBondContact O-N 3.43Å; A7-W11 VanDerWaalsContact O-N 3.1Å; R8-W11 PolarHBondContact O-N 3.21Å; I9-W11 VanDerWaalsContact C-N 3.26Å; I9-W11 PolarHBondContact O-N 2.79Å; W11-C13 PolarHBondContact O-N 3.19Å; W11-R14 WeakPolarHBondContact O-CB 3.47Å; W11-R14 PolarHBondContact O-N 3.31Å; W11-R14 VanDerWaalsContact O-N 3.07Å
12A97.4Very high96.2Very high14 Ų1476.7 Ų76.712%0.11638%0.375CS..Hα-helixtrans-67.6-18.7176.800000114.1M1 R8 I9 R14 L47M1-A12 HydrophobicContact CE-CB 3.69Å; R8-A12 PolarHBondContact O-N 3.35Å; I9-A12 CarbonylContact O-C 3.56Å; I9-A12 PolarHBondContact O-N 3.37Å; A12-R14 PolarHBondContact O-N 3.46Å; A12-L47 HydrophobicContact CB-CB 4.42Å; A12-L47 HydrophobicContact CB-CD1 4Å
13C97.6Very high96.2Very high0 Ų073.2 Ų73.20%036%0.358CS..THydrogen-bonded Turntrans-73.1-13.3171.7-63.40000113.1I9 H10 W11 R15 I24 M25 F28I9-C13 PolarHBondContact O-N 3.08Å; I9-C13 PolarHBondContact O-SG 2.95Å; H10-C13 WeakPolarHBondContact O-CB 3.36Å; H10-C13 PolarHBondContact O-N 2.93Å; W11-C13 PolarHBondContact O-N 3.19Å; C13-R15 PolarHBondContact O-N 3.43Å; C13-I24 HydrophobicContact CB-CG2 3.89Å; C13-M25 HydrophobicContact CB-CE 3.75Å; C13-M25 HydrophobicContact CB-SD 3.91Å; C13-F28 VanDerWaalsContact SG-CB 3.59Å
14R96.8Very high96.2Very high172 Ų17272.5 Ų72.565%0.64935%0.354SS*.  trans-84.5104176.6-58.2178.466.3152.71.4109.5W11 A12 M25W11-R14 WeakPolarHBondContact O-CB 3.47Å; W11-R14 PolarHBondContact O-N 3.31Å; W11-R14 VanDerWaalsContact O-N 3.07Å; A12-R14 PolarHBondContact O-N 3.46Å; R14-M25 HydrophobicContact CB-CE 4.47Å; R14-M25 HydrophobicContact CG-CE 3.42Å; R14-M25 VanDerWaalsContact CG-CE 3.42Å
15R95.1Very high96.3Very high50 Ų5068.1 Ų68.119%0.18933%0.33CS..  trans-100.8-23.9-177.9-58.1-53-154.7163.81.1113.2C13 M17 L20 D21 I24 L47 C49 D51C13-R15 PolarHBondContact O-N 3.43Å; R15-M17 PolarHBondContact O-N 3.43Å; R15-L20 HydrophobicContact CB-CB 3.82Å; R15-L20 HydrophobicContact CB-CD1 3.88Å; R15-L20 HydrophobicContact CG-CB 3.88Å; R15-L20 HydrophobicContact CG-CD1 3.98Å; R15-D21 PolarHBondContact N-OD1 3.43Å; R15-I24 HydrophobicContact CG-CD1 4.29Å; R15-L47 PolarHBondContact NH1-O 3.39Å; R15-L47 PolarHBondContact NH2-O 3.13Å; R15-C49 PolarHBondContact NH2-O 3.13Å; R15-D51 VanDerWaalsContact CD-OD1 3.29Å; R15-D51 WeakPolarHBondContact CD-OD1 3.33Å; R15-D51 IonicContact CZ-OD1 3.69Å; R15-D51 IonicContact NE-OD1 3.55Å; R15-D51 IonicContact NH1-OD1 3.6Å
16G94Very high96.2Very high72 Ų7265 Ų6574%0.74231%0.314SS*.SBendtrans78.1-4.7-177.700000114D21G16-D21 PolarHBondContact N-OD1 3.02Å; G16-D21 PolarHBondContact N-OD2 3.38Å
17M95.3Very high96.2Very high58 Ų5860.9 Ų60.929%0.28630%0.296SS..  trans-92.5124.1162.3-176.6-177.4-62.100108.6R15 E19 L20 D21 D51 F55R15-M17 PolarHBondContact O-N 3.43Å; M17-E19 VanDerWaalsContact C-N 3.3Å; M17-E19 WeakPolarHBondContact CG-OE2 3.33Å; M17-E19 PolarHBondContact O-N 2.92Å; M17-L20 HydrophobicContact CB-CB 4.24Å; M17-L20 HydrophobicContact CB-CD1 4.08Å; M17-L20 HydrophobicContact CB-CG 4.13Å; M17-L20 HydrophobicContact CE-CD1 4.47Å; M17-L20 HydrophobicContact CG-CG 4.26Å; M17-L20 PolarHBondContact O-N 3.32Å; M17-L20 VanDerWaalsContact O-N 3.15Å; M17-L20 HydrophobicContact SD-CD1 3.93Å; M17-L20 HydrophobicContact SD-CG 3.81Å; M17-D21 PolarHBondContact O-N 2.89Å; M17-D51 HydrophobicContact CE-CB 4.45Å; M17-F55 HydrophobicContact CE-CB 4.49Å; M17-F55 HydrophobicContact SD-CB 3.89Å; M17-F55 HydrophobicContact SD-CD2 3.35Å; M17-F55 WeakPolarHBondContact SD-CD2 3.45Å; M17-F55 HydrophobicContact SD-CE2 4.13Å; M17-F55 HydrophobicContact SD-CG 3.86Å
18R94.3Very high96.3Very high159 Ų15958 Ų5860%0.627%0.269SS*.Hα-helixtrans-56.4-43.9-173.2179.1179.2176.8132.73.6112.5L20 D21 I22R18-L20 VanDerWaalsContact C-N 3.33Å; R18-L20 PolarHBondContact O-N 3.21Å; R18-D21 PolarHBondContact O-N 2.9Å; R18-I22 HydrophobicContact CG-CD1 3.65Å; R18-I22 HydrophobicContact CG-CG1 4.35Å; R18-I22 WeakPolarHBondContact O-CB 3.27Å; R18-I22 VanDerWaalsContact O-CG1 3.26Å; R18-I22 WeakPolarHBondContact O-CG1 3.35Å; R18-I22 PolarHBondContact O-N 3.48Å
19E94.3Very high96.2Very high88 Ų8855.9 Ų55.941%0.41127%0.265SS..Hα-helixtrans-64.6-39.5-177.6-65.881.6178.700111.6M17 S23 F55 M59M17-E19 VanDerWaalsContact C-N 3.3Å; M17-E19 WeakPolarHBondContact CG-OE2 3.33Å; M17-E19 PolarHBondContact O-N 2.92Å; E19-S23 VanDerWaalsContact O-CB 3.32Å; E19-S23 WeakPolarHBondContact O-CB 3.27Å; E19-S23 PolarHBondContact O-N 2.78Å; E19-S23 VanDerWaalsContact O-N 3.15Å; E19-S23 PolarHBondContact O-OG 2.79Å; E19-F55 HydrophobicContact CB-CD2 4.11Å; E19-F55 HydrophobicContact CB-CE2 3.93Å; E19-F55 HydrophobicContact CG-CE2 3.94Å; E19-M59 HydrophobicContact CB-CE 4.31Å
20L96.8Very high96.1Very high0 Ų061.2 Ų61.20%029%0.29CS..Hα-helixtrans-70-45.7174.5-65.9-177.1000111.2R15 M17 R18 I22 S23 I24 D51 L54 F55 L58R15-L20 HydrophobicContact CB-CB 3.82Å; R15-L20 HydrophobicContact CB-CD1 3.88Å; R15-L20 HydrophobicContact CG-CB 3.88Å; R15-L20 HydrophobicContact CG-CD1 3.98Å; M17-L20 HydrophobicContact CB-CB 4.24Å; M17-L20 HydrophobicContact CB-CD1 4.08Å; M17-L20 HydrophobicContact CB-CG 4.13Å; M17-L20 HydrophobicContact CE-CD1 4.47Å; M17-L20 HydrophobicContact CG-CG 4.26Å; M17-L20 PolarHBondContact O-N 3.32Å; M17-L20 VanDerWaalsContact O-N 3.15Å; M17-L20 HydrophobicContact SD-CD1 3.93Å; M17-L20 HydrophobicContact SD-CG 3.81Å; R18-L20 VanDerWaalsContact C-N 3.33Å; R18-L20 PolarHBondContact O-N 3.21Å; L20-I22 VanDerWaalsContact C-N 3.31Å; L20-I22 PolarHBondContact O-N 3.44Å; L20-S23 PolarHBondContact O-N 3.39Å; L20-S23 VanDerWaalsContact O-N 3.08Å; L20-I24 HydrophobicContact CB-CD1 4.3Å; L20-I24 HydrophobicContact CD2-CD1 4.28Å; L20-I24 WeakPolarHBondContact O-CB 3.37Å; L20-I24 WeakPolarHBondContact O-CG1 3.45Å; L20-I24 PolarHBondContact O-N 2.89Å; L20-D51 HydrophobicContact CD1-CB 3.7Å; L20-L54 HydrophobicContact CD1-CB 4.3Å; L20-L54 HydrophobicContact CD2-CB 3.8Å; L20-F55 HydrophobicContact CD2-CB 4.26Å; L20-L58 HydrophobicContact CD2-CD1 3.68Å
21D96.1Very high96Very high51 Ų5159.5 Ų59.527%0.27328%0.282SS..Hα-helixtrans-60.1-43.1179.5-71.1-20.5000110.7R15 G16 M17 R18 S23 M25 P26R15-D21 PolarHBondContact N-OD1 3.43Å; G16-D21 PolarHBondContact N-OD1 3.02Å; G16-D21 PolarHBondContact N-OD2 3.38Å; M17-D21 PolarHBondContact O-N 2.89Å; R18-D21 PolarHBondContact O-N 2.9Å; D21-S23 VanDerWaalsContact C-N 3.29Å; D21-S23 PolarHBondContact O-N 2.95Å; D21-M25 WeakPolarHBondContact O-CB 3.35Å; D21-M25 PolarHBondContact O-N 3.48Å; D21-M25 VanDerWaalsContact O-N 3.13Å; D21-P26 WeakPolarHBondContact O-CD 3.43Å
22I94.2Very high96Very high77 Ų7750.9 Ų50.940%0.39525%0.249SC..Hα-helixtrans-68.1-27.6176.9-68.7172.7000112.5R18 L20 P26R18-I22 HydrophobicContact CG-CD1 3.65Å; R18-I22 HydrophobicContact CG-CG1 4.35Å; R18-I22 WeakPolarHBondContact O-CB 3.27Å; R18-I22 VanDerWaalsContact O-CG1 3.26Å; R18-I22 WeakPolarHBondContact O-CG1 3.35Å; R18-I22 PolarHBondContact O-N 3.48Å; L20-I22 VanDerWaalsContact C-N 3.31Å; L20-I22 PolarHBondContact O-N 3.44Å; I22-P26 VanDerWaalsContact O-CD 3.29Å; I22-P26 WeakPolarHBondContact O-CD 3.31Å; I22-P26 VanDerWaalsContact O-CG 3.3Å; I22-P26 WeakPolarHBondContact O-CG 3.44Å
23S95.2Very high96Very high19 Ų1955.2 Ų55.213%0.13327%0.271CS..Hα-helixtrans-87.8-46.1-178.6-59.90000112.5E19 L20 D21 F27 N80E19-S23 VanDerWaalsContact O-CB 3.32Å; E19-S23 WeakPolarHBondContact O-CB 3.27Å; E19-S23 PolarHBondContact O-N 2.78Å; E19-S23 VanDerWaalsContact O-N 3.15Å; E19-S23 PolarHBondContact O-OG 2.79Å; L20-S23 PolarHBondContact O-N 3.39Å; L20-S23 VanDerWaalsContact O-N 3.08Å; D21-S23 VanDerWaalsContact C-N 3.29Å; D21-S23 PolarHBondContact O-N 2.95Å; S23-F27 WeakPolarHBondContact O-CB 3.45Å; S23-N80 PolarHBondContact O-ND2 3.37Å
24I97.6Very high95.9Very high2 Ų258.9 Ų58.91%0.0130%0.297CS..Hα-helixtrans-88.5-46.5-169.5-61.1176.8000110.9C13 R15 L20 F27 F28 F43 L47 L54 L58C13-I24 HydrophobicContact CB-CG2 3.89Å; R15-I24 HydrophobicContact CG-CD1 4.29Å; L20-I24 HydrophobicContact CB-CD1 4.3Å; L20-I24 HydrophobicContact CD2-CD1 4.28Å; L20-I24 WeakPolarHBondContact O-CB 3.37Å; L20-I24 WeakPolarHBondContact O-CG1 3.45Å; L20-I24 PolarHBondContact O-N 2.89Å; I24-F27 PolarHBondContact O-N 2.74Å; I24-F28 PolarHBondContact O-N 3.47Å; I24-F43 HydrophobicContact CG2-CE2 4.32Å; I24-F43 HydrophobicContact CG2-CZ 3.97Å; I24-L47 HydrophobicContact CG2-CD2 3.62Å; I24-L54 HydrophobicContact CD1-CD1 4.35Å; I24-L58 HydrophobicContact CD1-CD1 4.09Å; I24-L58 HydrophobicContact CG1-CD1 3.87Å
25M96.4Very high96Very high27 Ų2751.2 Ų51.213%0.13327%0.269CS..Hα-helixtrans-62.2-50.8-174.4-176.66873.100112H10 C13 R14 D21 F27 F28 E29H10-M25 WeakPolarHBondContact O-CE 3.13Å; C13-M25 HydrophobicContact CB-CE 3.75Å; C13-M25 HydrophobicContact CB-SD 3.91Å; R14-M25 HydrophobicContact CB-CE 4.47Å; R14-M25 HydrophobicContact CG-CE 3.42Å; R14-M25 VanDerWaalsContact CG-CE 3.42Å; D21-M25 WeakPolarHBondContact O-CB 3.35Å; D21-M25 PolarHBondContact O-N 3.48Å; D21-M25 VanDerWaalsContact O-N 3.13Å; M25-F27 VanDerWaalsContact C-N 3.28Å; M25-F27 PolarHBondContact O-N 3.13Å; M25-F28 WeakPolarHBondContact O-CB 3.34Å; M25-F28 PolarHBondContact O-N 3.37Å; M25-F28 VanDerWaalsContact O-N 3.09Å; M25-E29 HydrophobicContact CG-CG 4.29Å; M25-E29 WeakPolarHBondContact O-CG 3.35Å; M25-E29 PolarHBondContact O-N 3.18Å; M25-E29 HydrophobicContact SD-CG 4.22Å
26P95.4Very high96.1Very high6 Ų651.5 Ų51.54%0.03928%0.278CS..Hα-helixtrans-64.7-33.3178.9-26.439.4000112.8D21 I22 F28 E29 H30 R83 V86D21-P26 WeakPolarHBondContact O-CD 3.43Å; I22-P26 VanDerWaalsContact O-CD 3.29Å; I22-P26 WeakPolarHBondContact O-CD 3.31Å; I22-P26 VanDerWaalsContact O-CG 3.3Å; I22-P26 WeakPolarHBondContact O-CG 3.44Å; P26-F28 VanDerWaalsContact C-N 3.35Å; P26-E29 PolarHBondContact O-N 3.36Å; P26-H30 WeakPolarHBondContact O-CB 3.41Å; P26-H30 PolarHBondContact O-CD2 3.32Å; P26-H30 PolarHBondContact O-N 2.95Å; P26-R83 VanDerWaalsContact CB-NH2 3.27Å; P26-V86 HydrophobicContact CB-CG2 3.8Å; P26-V86 HydrophobicContact CG-CG1 4.18Å; P26-V86 HydrophobicContact CG-CG2 3.59Å
27F97.2Very high96.3Very high0 Ų052.1 Ų52.10%026%0.264CS..Hα-helixtrans-62.1-45.7173.2177.6-93.7000110.9S23 I24 M25 E31 Y32 L35 F43 M72 L75 I76 R79S23-F27 WeakPolarHBondContact O-CB 3.45Å; I24-F27 PolarHBondContact O-N 2.74Å; M25-F27 VanDerWaalsContact C-N 3.28Å; M25-F27 PolarHBondContact O-N 3.13Å; F27-E31 HydrophobicContact CD2-CB 3.92Å; F27-E31 HydrophobicContact CD2-CG 3.76Å; F27-E31 HydrophobicContact CE2-CB 3.85Å; F27-E31 HydrophobicContact CE2-CG 4.01Å; F27-E31 HydrophobicContact CG-CB 4.38Å; F27-E31 HydrophobicContact CG-CG 4.42Å; F27-E31 HydrophobicContact CZ-CB 4.22Å; F27-E31 WeakPolarHBondContact O-CA 3.48Å; F27-E31 WeakPolarHBondContact O-CB 3.34Å; F27-E31 PolarHBondContact O-N 3.25Å; F27-Y32 PolarHBondContact O-N 2.7Å; F27-L35 HydrophobicContact CE1-CD1 4.14Å; F27-L35 HydrophobicContact CZ-CD1 4.3Å; F27-L35 HydrophobicContact CZ-CD2 4.26Å; F27-F43 AromaticContact CD1-CD2 3.98Å; F27-F43 HydrophobicContact CD1-CD2 3.98Å; F27-F43 AromaticContact CD1-CE2 3.49Å; F27-F43 HydrophobicContact CD1-CE2 3.49Å; F27-F43 VanDerWaalsContact CD1-CE2 3.49Å; F27-F43 HydrophobicContact CD1-CZ 4.02Å; F27-F43 AromaticContact CE1-CD2 3.66Å; F27-F43 HydrophobicContact CE1-CD2 3.66Å; F27-F43 AromaticContact CE1-CE2 3.7Å; F27-F43 HydrophobicContact CE1-CE2 3.7Å; F27-F43 HydrophobicContact CE1-CG 4.4Å; F27-F43 HydrophobicContact CE1-CZ 4.44Å; F27-M72 HydrophobicContact CE1-SD 4.21Å; F27-M72 HydrophobicContact CZ-SD 4.13Å; F27-L75 HydrophobicContact CE2-CG 4.21Å; F27-L75 HydrophobicContact CZ-CD2 4.25Å; F27-L75 HydrophobicContact CZ-CG 4.2Å; F27-I76 HydrophobicContact CB-CG1 4.5Å; F27-I76 HydrophobicContact CB-CG2 4.19Å; F27-I76 HydrophobicContact CD1-CD1 4.38Å; F27-I76 HydrophobicContact CD1-CG1 3.68Å; F27-I76 HydrophobicContact CD2-CB 4.1Å; F27-I76 HydrophobicContact CD2-CG1 3.84Å; F27-I76 HydrophobicContact CD2-CG2 4.31Å; F27-I76 HydrophobicContact CE1-CD1 4.45Å; F27-I76 HydrophobicContact CE1-CG1 3.69Å; F27-I76 HydrophobicContact CE2-CB 4.31Å; F27-I76 HydrophobicContact CE2-CG1 3.84Å; F27-I76 HydrophobicContact CG-CB 4.28Å; F27-I76 HydrophobicContact CG-CG1 3.73Å; F27-I76 HydrophobicContact CG-CG2 4.21Å; F27-I76 HydrophobicContact CZ-CG1 3.77Å; F27-R79 HydrophobicContact CD2-CB 3.94Å; F27-R79 HydrophobicContact CD2-CG 4.35Å; F27-R79 HydrophobicContact CE2-CB 3.96Å; F27-R79 HydrophobicContact CE2-CG 3.85Å
28F97.6Very high96.4Very high17 Ų1754.4 Ų54.48%0.07528%0.278CS..Hα-helixtrans-60.9-49.2175.6171.4-99.1000111.9K6 I9 H10 C13 I24 M25 P26 H30 Y32 F43K6-F28 HydrophobicContact CB-CZ 4.19Å; K6-F28 HydrophobicContact CG-CZ 4.47Å; K6-F28 WeakPolarHBondContact O-CZ 3.21Å; I9-F28 HydrophobicContact CB-CD2 4.39Å; I9-F28 HydrophobicContact CB-CE2 3.71Å; I9-F28 HydrophobicContact CB-CZ 4.18Å; I9-F28 HydrophobicContact CG2-CD2 3.52Å; I9-F28 HydrophobicContact CG2-CE2 3.3Å; I9-F28 HydrophobicContact CG2-CZ 4.18Å; H10-F28 HydrophobicContact CB-CD1 4.16Å; H10-F28 HydrophobicContact CB-CE1 3.45Å; H10-F28 VanDerWaalsContact CB-CE1 3.45Å; H10-F28 HydrophobicContact CB-CZ 3.94Å; H10-F28 AromaticContact CD2-CE1 3.67Å; H10-F28 AromaticContact CG-CE1 3.92Å; C13-F28 VanDerWaalsContact SG-CB 3.59Å; I24-F28 PolarHBondContact O-N 3.47Å; M25-F28 WeakPolarHBondContact O-CB 3.34Å; M25-F28 PolarHBondContact O-N 3.37Å; M25-F28 VanDerWaalsContact O-N 3.09Å; P26-F28 VanDerWaalsContact C-N 3.35Å; F28-H30 VanDerWaalsContact C-N 3.32Å; F28-H30 PolarHBondContact O-N 3.47Å; F28-Y32 HydrophobicContact CD2-CD1 4.24Å; F28-Y32 AromaticContact CD2-CD2 3.71Å; F28-Y32 HydrophobicContact CD2-CD2 3.71Å; F28-Y32 HydrophobicContact CD2-CE2 4.45Å; F28-Y32 AromaticContact CD2-CG 3.59Å; F28-Y32 HydrophobicContact CD2-CG 3.59Å; F28-Y32 AromaticContact CE2-CD1 3.72Å; F28-Y32 HydrophobicContact CE2-CD1 3.72Å; F28-Y32 AromaticContact CE2-CD2 3.91Å; F28-Y32 HydrophobicContact CE2-CD2 3.91Å; F28-Y32 HydrophobicContact CE2-CE1 4.21Å; F28-Y32 HydrophobicContact CE2-CE2 4.39Å; F28-Y32 AromaticContact CE2-CG 3.57Å; F28-Y32 HydrophobicContact CE2-CG 3.57Å; F28-Y32 WeakPolarHBondContact O-CB 3.33Å; F28-Y32 PolarHBondContact O-N 2.81Å; F28-F43 HydrophobicContact CB-CE1 4.24Å; F28-F43 HydrophobicContact CB-CZ 4.08Å; F28-F43 AromaticContact CD2-CE1 3.96Å; F28-F43 HydrophobicContact CD2-CE1 3.96Å
29E96Very high96.6Very high108 Ų10849.3 Ų49.351%0.50526%0.261SS..Hα-helixtrans-64.4-33.6-175.8-70.6176.5150.100113.4H10 M25 P26H10-E29 IonicContact NE2-OE1 3.92Å; M25-E29 HydrophobicContact CG-CG 4.29Å; M25-E29 WeakPolarHBondContact O-CG 3.35Å; M25-E29 PolarHBondContact O-N 3.18Å; M25-E29 HydrophobicContact SD-CG 4.22Å; P26-E29 PolarHBondContact O-N 3.36Å
30H95.5Very high96.8Very high112 Ų11246.3 Ų46.352%0.51925%0.246SC..Hα-helixtrans-102.3-32.6-174.6-66.2-65.2000114.4P26 F28P26-H30 WeakPolarHBondContact O-CB 3.41Å; P26-H30 PolarHBondContact O-CD2 3.32Å; P26-H30 PolarHBondContact O-N 2.95Å; F28-H30 VanDerWaalsContact C-N 3.32Å; F28-H30 PolarHBondContact O-N 3.47Å
31E96.1Very high96.9Very high33 Ų3351.9 Ų51.915%0.15427%0.267CS..Hα-helixtrans-112.2-23.1-167.1-51.3-62.2151.200113.2F27 D33 S34 L35 R79F27-E31 HydrophobicContact CD2-CB 3.92Å; F27-E31 HydrophobicContact CD2-CG 3.76Å; F27-E31 HydrophobicContact CE2-CB 3.85Å; F27-E31 HydrophobicContact CE2-CG 4.01Å; F27-E31 HydrophobicContact CG-CB 4.38Å; F27-E31 HydrophobicContact CG-CG 4.42Å; F27-E31 HydrophobicContact CZ-CB 4.22Å; F27-E31 WeakPolarHBondContact O-CA 3.48Å; F27-E31 WeakPolarHBondContact O-CB 3.34Å; F27-E31 PolarHBondContact O-N 3.25Å; E31-D33 PolarHBondContact O-N 3.36Å; E31-D33 VanDerWaalsContact O-N 3.08Å; E31-S34 WeakPolarHBondContact O-CB 3.45Å; E31-S34 PolarHBondContact O-N 3.14Å; E31-S34 PolarHBondContact O-OG 3.4Å; E31-L35 PolarHBondContact O-N 3.37Å; E31-R79 HydrophobicContact CG-CB 3.83Å; E31-R79 HydrophobicContact CG-CG 4.06Å; E31-R79 IonicContact OE2-NE 3.37Å
32Y97.5Very high97Very high3 Ų349.9 Ų49.91%0.01226%0.257CS..G310 helixtrans-56.4-35.2-170.9-173.6-98.4000113.3I3 K6 I9 F27 F28 S34 L35 K40 F43I3-Y32 VanDerWaalsContact CA-OH 3.3Å; I3-Y32 WeakPolarHBondContact CA-OH 3.45Å; I3-Y32 WeakPolarHBondContact O-CE1 3.29Å; I3-Y32 PolarHBondContact O-OH 3.3Å; K6-Y32 HydrophobicContact CG-CE1 4.36Å; I9-Y32 HydrophobicContact CD1-CE1 3.92Å; I9-Y32 HydrophobicContact CD1-CE2 4.22Å; I9-Y32 WeakPolarHBondContact CD1-OH 3.16Å; I9-Y32 HydrophobicContact CG2-CE2 4.29Å; F27-Y32 PolarHBondContact O-N 2.7Å; F28-Y32 HydrophobicContact CD2-CD1 4.24Å; F28-Y32 AromaticContact CD2-CD2 3.71Å; F28-Y32 HydrophobicContact CD2-CD2 3.71Å; F28-Y32 HydrophobicContact CD2-CE2 4.45Å; F28-Y32 AromaticContact CD2-CG 3.59Å; F28-Y32 HydrophobicContact CD2-CG 3.59Å; F28-Y32 AromaticContact CE2-CD1 3.72Å; F28-Y32 HydrophobicContact CE2-CD1 3.72Å; F28-Y32 AromaticContact CE2-CD2 3.91Å; F28-Y32 HydrophobicContact CE2-CD2 3.91Å; F28-Y32 HydrophobicContact CE2-CE1 4.21Å; F28-Y32 HydrophobicContact CE2-CE2 4.39Å; F28-Y32 AromaticContact CE2-CG 3.57Å; F28-Y32 HydrophobicContact CE2-CG 3.57Å; F28-Y32 WeakPolarHBondContact O-CB 3.33Å; F28-Y32 PolarHBondContact O-N 2.81Å; Y32-S34 VanDerWaalsContact C-N 3.31Å; Y32-S34 PolarHBondContact O-N 2.97Å; Y32-L35 HydrophobicContact CD2-CD1 4.15Å; Y32-L35 WeakPolarHBondContact O-CB 3.32Å; Y32-L35 PolarHBondContact O-N 2.69Å; Y32-K40 HydrophobicContact CD2-CG 4.38Å; Y32-K40 HydrophobicContact CE1-CD 4Å; Y32-K40 HydrophobicContact CE1-CG 4.21Å; Y32-K40 HydrophobicContact CE2-CB 4.06Å; Y32-K40 HydrophobicContact CE2-CD 4.44Å; Y32-K40 HydrophobicContact CE2-CG 3.75Å; Y32-K40 WeakPolarHBondContact O-CE 3.41Å; Y32-F43 AromaticContact CD2-CD1 3.77Å; Y32-F43 HydrophobicContact CD2-CD1 3.77Å; Y32-F43 HydrophobicContact CD2-CE1 4.1Å; Y32-F43 AromaticContact CE2-CD1 3.78Å; Y32-F43 HydrophobicContact CE2-CD1 3.78Å; Y32-F43 HydrophobicContact CE2-CE1 4.41Å
33D96.4Very high97.2Very high105 Ų10546.2 Ų46.256%0.56124%0.238SC*.G310 helixtrans-72.8-23178.6-80.5-30000114.5K6 E31 L35K6-D33 WeakPolarHBondContact CE-OD1 3.24Å; K6-D33 IonicContact NZ-OD1 3.75Å; K6-D33 PolarHBondContact NZ-OD1 2.81Å; K6-D33 IonicContact NZ-OD2 2.59Å; K6-D33 PolarHBondContact NZ-OD2 3.38Å; E31-D33 PolarHBondContact O-N 3.36Å; E31-D33 VanDerWaalsContact O-N 3.08Å; D33-L35 VanDerWaalsContact C-N 3.34Å
34S96.4Very high97.3Very high78 Ų7845.6 Ų45.655%0.54523%0.233SC..G310 helixtrans-81.7-16.417677.10000113.2E31 Y32E31-S34 WeakPolarHBondContact O-CB 3.45Å; E31-S34 PolarHBondContact O-N 3.14Å; E31-S34 PolarHBondContact O-OG 3.4Å; Y32-S34 VanDerWaalsContact C-N 3.31Å; Y32-S34 PolarHBondContact O-N 2.97Å
35L97.6Very high97.3Very high11 Ų1149.9 Ų49.96%0.05825%0.249CC..SBendtrans-69.3141.2-179.8-61.5-174.8000111.6F27 E31 Y32 D33 E39 K40 F43 L75F27-L35 HydrophobicContact CE1-CD1 4.14Å; F27-L35 HydrophobicContact CZ-CD1 4.3Å; F27-L35 HydrophobicContact CZ-CD2 4.26Å; E31-L35 PolarHBondContact O-N 3.37Å; Y32-L35 HydrophobicContact CD2-CD1 4.15Å; Y32-L35 WeakPolarHBondContact O-CB 3.32Å; Y32-L35 PolarHBondContact O-N 2.69Å; D33-L35 VanDerWaalsContact C-N 3.34Å; L35-E39 HydrophobicContact CB-CB 3.89Å; L35-E39 HydrophobicContact CD1-CB 4.36Å; L35-E39 HydrophobicContact CD2-CB 4.12Å; L35-E39 HydrophobicContact CG-CB 4.33Å; L35-K40 HydrophobicContact CB-CG 3.74Å; L35-K40 HydrophobicContact CD1-CG 4.39Å; L35-K40 VanDerWaalsContact O-CE 3.23Å; L35-K40 WeakPolarHBondContact O-CE 3.45Å; L35-K40 PolarHBondContact O-NZ 3.08Å; L35-F43 HydrophobicContact CD1-CB 4.4Å; L35-L75 HydrophobicContact CD2-CD2 3.74Å
36S98Very high97.4Very high55 Ų5548.7 Ų48.739%0.38524%0.243SC..  trans-6216116464.10000111.4D38 E39 K40S36-D38 PolarHBondContact O-N 2.93Å; S36-E39 WeakPolarHBondContact CB-OE2 3.3Å; S36-E39 PolarHBondContact N-OE2 3.47Å; S36-E39 PolarHBondContact O-N 2.89Å; S36-E39 WeakPolarHBondContact OG-CB 3.29Å; S36-E39 VanDerWaalsContact OG-CD 3.28Å; S36-E39 VanDerWaalsContact OG-CG 3.27Å; S36-E39 WeakPolarHBondContact OG-CG 3.2Å; S36-E39 PolarHBondContact OG-N 3.43Å; S36-E39 PolarHBondContact OG-OE2 3.34Å; S36-K40 WeakPolarHBondContact O-CG 3.36Å; S36-K40 PolarHBondContact O-N 3.48Å
37D98Very high97.5Very high85 Ų8548.8 Ų48.846%0.45524%0.243SC..Hα-helixtrans-59.8-33.9178.7-76.22.2000112.7I3 R41I3-D37 HydrophobicContact CD1-CB 3.93Å; D37-R41 VanDerWaalsContact O-CG 3.31Å; D37-R41 WeakPolarHBondContact O-CG 3.3Å; D37-R41 PolarHBondContact O-N 3.33Å; D37-R41 VanDerWaalsContact O-N 3.08Å
38D98Very high97.5Very high106 Ų10654.6 Ų54.657%0.56727%0.27SS*.Hα-helixtrans-69.1-45.7175.9-69.8-31.5000111.4S36 K40 R41 I42S36-D38 PolarHBondContact O-N 2.93Å; D38-K40 VanDerWaalsContact C-N 3.3Å; D38-K40 PolarHBondContact O-N 2.91Å; D38-R41 WeakPolarHBondContact O-CB 3.2Å; D38-R41 PolarHBondContact O-N 3.26Å; D38-R41 VanDerWaalsContact O-N 3.13Å; D38-R41 IonicContact OD1-CZ 2.67Å; D38-R41 IonicContact OD1-NH1 3.78Å; D38-R41 PolarHBondContact OD1-NH1 3.26Å; D38-I42 VanDerWaalsContact O-CG1 3.3Å; D38-I42 WeakPolarHBondContact O-CG1 3.23Å; D38-I42 PolarHBondContact O-N 3.46Å
39E98.3Very high97.5Very high53 Ų5355 Ų5525%0.24828%0.275CS..Hα-helixtrans-60.4-39.5174.4-74165.6138.500111.8L35 S36 R41 I42 F43 M72L35-E39 HydrophobicContact CB-CB 3.89Å; L35-E39 HydrophobicContact CD1-CB 4.36Å; L35-E39 HydrophobicContact CD2-CB 4.12Å; L35-E39 HydrophobicContact CG-CB 4.33Å; S36-E39 WeakPolarHBondContact CB-OE2 3.3Å; S36-E39 PolarHBondContact N-OE2 3.47Å; S36-E39 PolarHBondContact O-N 2.89Å; S36-E39 WeakPolarHBondContact OG-CB 3.29Å; S36-E39 VanDerWaalsContact OG-CD 3.28Å; S36-E39 VanDerWaalsContact OG-CG 3.27Å; S36-E39 WeakPolarHBondContact OG-CG 3.2Å; S36-E39 PolarHBondContact OG-N 3.43Å; S36-E39 PolarHBondContact OG-OE2 3.34Å; E39-R41 VanDerWaalsContact C-N 3.35Å; E39-R41 PolarHBondContact O-N 3.3Å; E39-I42 PolarHBondContact O-N 2.92Å; E39-F43 WeakPolarHBondContact O-CB 3.35Å; E39-F43 PolarHBondContact O-N 2.96Å; E39-M72 HydrophobicContact CB-CE 3.94Å; E39-M72 HydrophobicContact CG-CE 4.37Å; E39-M72 WeakPolarHBondContact O-CE 3.43Å
40K98.5Very high97.5Very high25 Ų2555.5 Ų55.511%0.10928%0.281CS..Hα-helixtrans-61.1-41.9174.1-71.8175.7178.41590112.1I3 Y32 L35 S36 D38 I42 F43 I44I3-K40 HydrophobicContact CB-CB 3.93Å; I3-K40 HydrophobicContact CB-CD 4.33Å; I3-K40 HydrophobicContact CG2-CB 3.68Å; Y32-K40 HydrophobicContact CD2-CG 4.38Å; Y32-K40 HydrophobicContact CE1-CD 4Å; Y32-K40 HydrophobicContact CE1-CG 4.21Å; Y32-K40 HydrophobicContact CE2-CB 4.06Å; Y32-K40 HydrophobicContact CE2-CD 4.44Å; Y32-K40 HydrophobicContact CE2-CG 3.75Å; Y32-K40 WeakPolarHBondContact O-CE 3.41Å; L35-K40 HydrophobicContact CB-CG 3.74Å; L35-K40 HydrophobicContact CD1-CG 4.39Å; L35-K40 VanDerWaalsContact O-CE 3.23Å; L35-K40 WeakPolarHBondContact O-CE 3.45Å; L35-K40 PolarHBondContact O-NZ 3.08Å; S36-K40 WeakPolarHBondContact O-CG 3.36Å; S36-K40 PolarHBondContact O-N 3.48Å; D38-K40 VanDerWaalsContact C-N 3.3Å; D38-K40 PolarHBondContact O-N 2.91Å; K40-I42 VanDerWaalsContact C-N 3.34Å; K40-F43 PolarHBondContact O-N 2.85Å; K40-I44 WeakPolarHBondContact O-CG1 3.26Å; K40-I44 PolarHBondContact O-N 3.31Å
41R98.2Very high97.6Very high116 Ų11652.5 Ų52.544%0.43827%0.269SS..Hα-helixtrans-62.7-42.4175.6-70.7171.2-166.9110.611.1111.2I3 D37 D38 E39 I44 R45I3-R41 HydrophobicContact CG2-CG 3.78Å; D37-R41 VanDerWaalsContact O-CG 3.31Å; D37-R41 WeakPolarHBondContact O-CG 3.3Å; D37-R41 PolarHBondContact O-N 3.33Å; D37-R41 VanDerWaalsContact O-N 3.08Å; D38-R41 WeakPolarHBondContact O-CB 3.2Å; D38-R41 PolarHBondContact O-N 3.26Å; D38-R41 VanDerWaalsContact O-N 3.13Å; D38-R41 IonicContact OD1-CZ 2.67Å; D38-R41 IonicContact OD1-NH1 3.78Å; D38-R41 PolarHBondContact OD1-NH1 3.26Å; E39-R41 VanDerWaalsContact C-N 3.35Å; E39-R41 PolarHBondContact O-N 3.3Å; R41-I44 PolarHBondContact O-N 3.12Å; R41-R45 WeakPolarHBondContact O-CG 3.31Å; R41-R45 PolarHBondContact O-N 3.01Å
42I98.4Very high97.7Very high10 Ų1054.9 Ų54.95%0.05129%0.287CS..Hα-helixtrans-66.5-43.5178.1-62162.9000110.6D38 E39 K40 I44 R45 L46 E68 L69 M71 M72D38-I42 VanDerWaalsContact O-CG1 3.3Å; D38-I42 WeakPolarHBondContact O-CG1 3.23Å; D38-I42 PolarHBondContact O-N 3.46Å; E39-I42 PolarHBondContact O-N 2.92Å; K40-I42 VanDerWaalsContact C-N 3.34Å; I42-I44 VanDerWaalsContact C-N 3.32Å; I42-I44 PolarHBondContact O-N 3.39Å; I42-R45 WeakPolarHBondContact O-CB 3.38Å; I42-R45 PolarHBondContact O-N 3.44Å; I42-L46 PolarHBondContact O-N 2.77Å; I42-E68 HydrophobicContact CD1-CB 3.93Å; I42-E68 HydrophobicContact CD1-CG 4.23Å; I42-E68 HydrophobicContact CG1-CB 4.05Å; I42-E68 HydrophobicContact CG2-CB 4Å; I42-E68 VanDerWaalsContact CG2-O 3.29Å; I42-E68 WeakPolarHBondContact CG2-O 3.29Å; I42-L69 HydrophobicContact CG2-CD2 4.3Å; I42-M71 HydrophobicContact CD1-CE 3.69Å; I42-M72 HydrophobicContact CB-CE 4.09Å; I42-M72 HydrophobicContact CG2-CB 3.66Å; I42-M72 HydrophobicContact CG2-CE 4.14Å; I42-M72 HydrophobicContact CG2-CG 4.23Å
43F98.5Very high97.7Very high0 Ų058 Ų580%030%0.304CS..Hα-helixtrans-59.2-44175.9-178.3-107.1000111.6I9 I24 F27 F28 Y32 L35 E39 K40 R45 L46 L47 M72 I76I9-F43 HydrophobicContact CG2-CD1 4.29Å; I9-F43 HydrophobicContact CG2-CE1 3.93Å; I24-F43 HydrophobicContact CG2-CE2 4.32Å; I24-F43 HydrophobicContact CG2-CZ 3.97Å; F27-F43 AromaticContact CD1-CD2 3.98Å; F27-F43 HydrophobicContact CD1-CD2 3.98Å; F27-F43 AromaticContact CD1-CE2 3.49Å; F27-F43 HydrophobicContact CD1-CE2 3.49Å; F27-F43 VanDerWaalsContact CD1-CE2 3.49Å; F27-F43 HydrophobicContact CD1-CZ 4.02Å; F27-F43 AromaticContact CE1-CD2 3.66Å; F27-F43 HydrophobicContact CE1-CD2 3.66Å; F27-F43 AromaticContact CE1-CE2 3.7Å; F27-F43 HydrophobicContact CE1-CE2 3.7Å; F27-F43 HydrophobicContact CE1-CG 4.4Å; F27-F43 HydrophobicContact CE1-CZ 4.44Å; F28-F43 HydrophobicContact CB-CE1 4.24Å; F28-F43 HydrophobicContact CB-CZ 4.08Å; F28-F43 AromaticContact CD2-CE1 3.96Å; F28-F43 HydrophobicContact CD2-CE1 3.96Å; Y32-F43 AromaticContact CD2-CD1 3.77Å; Y32-F43 HydrophobicContact CD2-CD1 3.77Å; Y32-F43 HydrophobicContact CD2-CE1 4.1Å; Y32-F43 AromaticContact CE2-CD1 3.78Å; Y32-F43 HydrophobicContact CE2-CD1 3.78Å; Y32-F43 HydrophobicContact CE2-CE1 4.41Å; L35-F43 HydrophobicContact CD1-CB 4.4Å; E39-F43 WeakPolarHBondContact O-CB 3.35Å; E39-F43 PolarHBondContact O-N 2.96Å; K40-F43 PolarHBondContact O-N 2.85Å; F43-R45 PolarHBondContact O-N 3.2Å; F43-L46 WeakPolarHBondContact O-CB 3.44Å; F43-L46 PolarHBondContact O-N 2.74Å; F43-L46 VanDerWaalsContact O-N 3.17Å; F43-L47 HydrophobicContact CD1-CD1 4.14Å; F43-L47 HydrophobicContact CD1-CG 4.43Å; F43-L47 HydrophobicContact CE1-CD1 3.67Å; F43-L47 HydrophobicContact CE1-CD2 4.42Å; F43-L47 HydrophobicContact CE1-CG 4.11Å; F43-L47 HydrophobicContact CZ-CD1 4.19Å; F43-L47 HydrophobicContact CZ-CD2 4.12Å; F43-L47 HydrophobicContact CZ-CG 4.27Å; F43-L47 WeakPolarHBondContact O-CG 3.3Å; F43-L47 PolarHBondContact O-N 3.04Å; F43-M72 HydrophobicContact CB-CE 4.15Å; F43-M72 HydrophobicContact CB-CG 4.39Å; F43-M72 HydrophobicContact CB-SD 4.01Å; F43-M72 HydrophobicContact CD2-CG 4.28Å; F43-M72 HydrophobicContact CD2-SD 4.03Å; F43-I76 HydrophobicContact CD2-CD1 4.14Å; F43-I76 HydrophobicContact CE2-CD1 3.96Å
44I98.1Very high97.8Very high5 Ų553.1 Ų53.13%0.02628%0.278CS..Hα-helixtrans-61.7-42.6175.3-75.6177.1000112M1 I3 I9 K40 R41 I42 L46 L47 E48M1-I44 HydrophobicContact CB-CD1 4.35Å; M1-I44 HydrophobicContact CB-CG2 3.65Å; M1-I44 HydrophobicContact CG-CD1 4.27Å; M1-I44 HydrophobicContact CG-CG2 4.48Å; I3-I44 HydrophobicContact CB-CD1 4.37Å; I3-I44 HydrophobicContact CG2-CD1 3.89Å; I9-I44 HydrophobicContact CD1-CD1 3.95Å; I9-I44 HydrophobicContact CD1-CG1 4.46Å; I9-I44 HydrophobicContact CG1-CD1 4Å; I9-I44 HydrophobicContact CG1-CG1 4.19Å; K40-I44 WeakPolarHBondContact O-CG1 3.26Å; K40-I44 PolarHBondContact O-N 3.31Å; R41-I44 PolarHBondContact O-N 3.12Å; I42-I44 VanDerWaalsContact C-N 3.32Å; I42-I44 PolarHBondContact O-N 3.39Å; I44-L46 VanDerWaalsContact C-N 3.29Å; I44-L46 PolarHBondContact O-N 3.08Å; I44-L47 WeakPolarHBondContact O-CB 3.44Å; I44-L47 PolarHBondContact O-N 3.37Å; I44-L47 VanDerWaalsContact O-N 3.11Å; I44-E48 PolarHBondContact O-N 3.45Å
45R97.8Very high97.8Very high93 Ų9352.1 Ų52.135%0.35126%0.264SS..Hα-helixtrans-62.6-37.7174.7-73.4172.160.8-146.5-6111.8R41 I42 F43 L47 E48 D66 E68 L69R41-R45 WeakPolarHBondContact O-CG 3.31Å; R41-R45 PolarHBondContact O-N 3.01Å; I42-R45 WeakPolarHBondContact O-CB 3.38Å; I42-R45 PolarHBondContact O-N 3.44Å; F43-R45 PolarHBondContact O-N 3.2Å; R45-L47 VanDerWaalsContact C-N 3.28Å; R45-L47 PolarHBondContact O-N 2.93Å; R45-E48 WeakPolarHBondContact O-CB 3.38Å; R45-E48 PolarHBondContact O-N 2.89Å; R45-E48 VanDerWaalsContact O-N 3.07Å; R45-D66 IonicContact CZ-OD2 2.7Å; R45-D66 IonicContact NH2-OD2 3.81Å; R45-D66 PolarHBondContact NH2-OD2 3.46Å; R45-E68 IonicContact CZ-OE2 2.63Å; R45-E68 IonicContact NH1-OE2 2.69Å; R45-E68 PolarHBondContact NH1-OE2 3.36Å; R45-L69 HydrophobicContact CB-CD2 4.3Å
46L98.3Very high97.9Very high1 Ų154.4 Ų54.41%0.00528%0.276CS..Hα-helixtrans-61.4-39.5173-171.971000110.8I42 F43 I44 E48 C49 L54 W57 L69 M72 V73 I76I42-L46 PolarHBondContact O-N 2.77Å; F43-L46 WeakPolarHBondContact O-CB 3.44Å; F43-L46 PolarHBondContact O-N 2.74Å; F43-L46 VanDerWaalsContact O-N 3.17Å; I44-L46 VanDerWaalsContact C-N 3.29Å; I44-L46 PolarHBondContact O-N 3.08Å; L46-E48 PolarHBondContact O-N 3.15Å; L46-C49 WeakPolarHBondContact O-CB 2.94Å; L46-C49 PolarHBondContact O-N 3.4Å; L46-C49 VanDerWaalsContact O-N 3.09Å; L46-L54 HydrophobicContact CD1-CD2 3.62Å; L46-L54 HydrophobicContact CD2-CD2 4.49Å; L46-L54 HydrophobicContact CG-CD2 3.69Å; L46-L54 WeakPolarHBondContact O-CD2 3.48Å; L46-W57 HydrophobicContact CD1-CE3 4.05Å; L46-W57 HydrophobicContact CD1-CZ3 3.98Å; L46-L69 HydrophobicContact CB-CD2 4.03Å; L46-L69 HydrophobicContact CD1-CB 4.39Å; L46-L69 HydrophobicContact CD1-CD2 4.1Å; L46-M72 HydrophobicContact CD2-CB 4.48Å; L46-M72 HydrophobicContact CD2-CG 3.85Å; L46-V73 HydrophobicContact CD1-CG2 3.95Å; L46-V73 HydrophobicContact CD2-CG2 4.26Å; L46-I76 HydrophobicContact CD2-CD1 3.46Å; L46-I76 VanDerWaalsContact CD2-CD1 3.46Å
47L97.9Very high97.9Very high8 Ų853.5 Ų53.54%0.04226%0.264CS..Hα-helixtrans-66.5-15.4175.1-63.8-178.6000114I9 A12 R15 I24 F43 I44 R45 C49I9-L47 HydrophobicContact CG2-CD1 3.78Å; A12-L47 HydrophobicContact CB-CB 4.42Å; A12-L47 HydrophobicContact CB-CD1 4Å; R15-L47 PolarHBondContact NH1-O 3.39Å; R15-L47 PolarHBondContact NH2-O 3.13Å; I24-L47 HydrophobicContact CG2-CD2 3.62Å; F43-L47 HydrophobicContact CD1-CD1 4.14Å; F43-L47 HydrophobicContact CD1-CG 4.43Å; F43-L47 HydrophobicContact CE1-CD1 3.67Å; F43-L47 HydrophobicContact CE1-CD2 4.42Å; F43-L47 HydrophobicContact CE1-CG 4.11Å; F43-L47 HydrophobicContact CZ-CD1 4.19Å; F43-L47 HydrophobicContact CZ-CD2 4.12Å; F43-L47 HydrophobicContact CZ-CG 4.27Å; F43-L47 WeakPolarHBondContact O-CG 3.3Å; F43-L47 PolarHBondContact O-N 3.04Å; I44-L47 WeakPolarHBondContact O-CB 3.44Å; I44-L47 PolarHBondContact O-N 3.37Å; I44-L47 VanDerWaalsContact O-N 3.11Å; R45-L47 VanDerWaalsContact C-N 3.28Å; R45-L47 PolarHBondContact O-N 2.93Å; L47-C49 VanDerWaalsContact C-N 3.34Å
48E96.7Very high97.8Very high123 Ų12349.9 Ų49.958%0.57525%0.245SC*.THydrogen-bonded Turntrans-85-8.3174.7-66.6170.5175.800112.5I44 R45 L46I44-E48 PolarHBondContact O-N 3.45Å; R45-E48 WeakPolarHBondContact O-CB 3.38Å; R45-E48 PolarHBondContact O-N 2.89Å; R45-E48 VanDerWaalsContact O-N 3.07Å; L46-E48 PolarHBondContact O-N 3.15Å
49C97.6Very high97.7Very high26 Ų2647.8 Ų47.818%0.17623%0.233CC..SBendtrans-77.7155.7174.7-58.40000112R15 L46 L47 L54 W57R15-C49 PolarHBondContact NH2-O 3.13Å; L46-C49 WeakPolarHBondContact O-CB 2.94Å; L46-C49 PolarHBondContact O-N 3.4Å; L46-C49 VanDerWaalsContact O-N 3.09Å; L47-C49 VanDerWaalsContact C-N 3.34Å; C49-L54 HydrophobicContact CB-CD1 4.46Å; C49-L54 HydrophobicContact CB-CD2 4Å; C49-L54 HydrophobicContact CB-CG 4.06Å; C49-L54 WeakPolarHBondContact O-CD1 3.45Å; C49-W57 HydrophobicContact CB-CH2 4.31Å; C49-W57 HydrophobicContact CB-CZ3 3.98Å
50D96.7Very high97.6Very high118 Ų11850.9 Ų50.963%0.63125%0.251SS*.  trans-74.7149.8180-66.9-36.1000112.3P52 D53 L54D50-P52 VanDerWaalsContact C-CD 3.48Å; D50-D53 PolarHBondContact O-N 3.49Å; D50-D53 VanDerWaalsContact O-N 3.15Å; D50-L54 WeakPolarHBondContact O-CG 2.93Å; D50-L54 PolarHBondContact O-N 3.36Å; D50-L54 VanDerWaalsContact O-N 3.11Å
51D97.2Very high97.5Very high49 Ų4955.4 Ų55.426%0.26227%0.272SS..Hα-helixtrans-56.7-40-175.9-66.9-12.3000114.7R15 M17 L20 D53 L54 F55R15-D51 VanDerWaalsContact CD-OD1 3.29Å; R15-D51 WeakPolarHBondContact CD-OD1 3.33Å; R15-D51 IonicContact CZ-OD1 3.69Å; R15-D51 IonicContact NE-OD1 3.55Å; R15-D51 IonicContact NH1-OD1 3.6Å; M17-D51 HydrophobicContact CE-CB 4.45Å; L20-D51 HydrophobicContact CD1-CB 3.7Å; D51-D53 VanDerWaalsContact C-N 3.32Å; D51-D53 PolarHBondContact O-N 3.15Å; D51-L54 PolarHBondContact O-N 2.92Å; D51-F55 VanDerWaalsContact O-CB 3.3Å; D51-F55 WeakPolarHBondContact O-CB 3.03Å; D51-F55 PolarHBondContact O-N 2.67Å
52P97.3Very high97.4Very high82 Ų8252.5 Ų52.553%0.53228%0.278SS..Hα-helixtrans-60.8-38.7176.9-24.836.1000113.4D50 N56D50-P52 VanDerWaalsContact C-CD 3.48Å; P52-N56 WeakPolarHBondContact O-CB 3.41Å; P52-N56 VanDerWaalsContact O-CG 3.24Å; P52-N56 PolarHBondContact O-N 3.26Å; P52-N56 PolarHBondContact O-ND2 3.2Å; P52-N56 VanDerWaalsContact O-ND2 3.13Å
53D97.6Very high97.2Very high70 Ų7058.3 Ų58.337%0.37430%0.303SS..Hα-helixtrans-71.2-45.6179.5-74.7-25.1000110.8D50 D51 F55 N56 W57D50-D53 PolarHBondContact O-N 3.49Å; D50-D53 VanDerWaalsContact O-N 3.15Å; D51-D53 VanDerWaalsContact C-N 3.32Å; D51-D53 PolarHBondContact O-N 3.15Å; D53-F55 VanDerWaalsContact C-N 3.28Å; D53-F55 PolarHBondContact O-N 3.26Å; D53-N56 PolarHBondContact O-N 3.08Å; D53-W57 HydrophobicContact CB-CD2 4.43Å; D53-W57 HydrophobicContact CB-CE3 4.49Å; D53-W57 HydrophobicContact CB-CH2 3.84Å; D53-W57 HydrophobicContact CB-CZ2 3.75Å; D53-W57 HydrophobicContact CB-CZ3 4.22Å; D53-W57 PolarHBondContact O-N 3.4Å
54L98.1Very high97.2Very high1 Ų158.5 Ų58.51%0.00531%0.305CS..Hα-helixtrans-58.2-43.2175.4-68.1173.7000111.9L20 I24 L46 C49 D50 D51 W57 L58L20-L54 HydrophobicContact CD1-CB 4.3Å; L20-L54 HydrophobicContact CD2-CB 3.8Å; I24-L54 HydrophobicContact CD1-CD1 4.35Å; L46-L54 HydrophobicContact CD1-CD2 3.62Å; L46-L54 HydrophobicContact CD2-CD2 4.49Å; L46-L54 HydrophobicContact CG-CD2 3.69Å; L46-L54 WeakPolarHBondContact O-CD2 3.48Å; C49-L54 HydrophobicContact CB-CD1 4.46Å; C49-L54 HydrophobicContact CB-CD2 4Å; C49-L54 HydrophobicContact CB-CG 4.06Å; C49-L54 WeakPolarHBondContact O-CD1 3.45Å; D50-L54 WeakPolarHBondContact O-CG 2.93Å; D50-L54 PolarHBondContact O-N 3.36Å; D50-L54 VanDerWaalsContact O-N 3.11Å; D51-L54 PolarHBondContact O-N 2.92Å; L54-W57 HydrophobicContact CD2-CE3 4.12Å; L54-W57 HydrophobicContact CD2-CZ3 4.17Å; L54-W57 PolarHBondContact O-N 2.7Å; L54-L58 VanDerWaalsContact O-CB 3.29Å; L54-L58 WeakPolarHBondContact O-CB 3.47Å; L54-L58 WeakPolarHBondContact O-CG 3.44Å; L54-L58 PolarHBondContact O-N 2.98Å
55F97.8Very high97.1Very high58 Ų5863.9 Ų63.925%0.25435%0.349SS..Hα-helixtrans-61.1-50177.3176.3-94000110M17 E19 L20 D51 D53 W57 L58 M59M17-F55 HydrophobicContact CE-CB 4.49Å; M17-F55 HydrophobicContact SD-CB 3.89Å; M17-F55 HydrophobicContact SD-CD2 3.35Å; M17-F55 WeakPolarHBondContact SD-CD2 3.45Å; M17-F55 HydrophobicContact SD-CE2 4.13Å; M17-F55 HydrophobicContact SD-CG 3.86Å; E19-F55 HydrophobicContact CB-CD2 4.11Å; E19-F55 HydrophobicContact CB-CE2 3.93Å; E19-F55 HydrophobicContact CG-CE2 3.94Å; L20-F55 HydrophobicContact CD2-CB 4.26Å; D51-F55 VanDerWaalsContact O-CB 3.3Å; D51-F55 WeakPolarHBondContact O-CB 3.03Å; D51-F55 PolarHBondContact O-N 2.67Å; D53-F55 VanDerWaalsContact C-N 3.28Å; D53-F55 PolarHBondContact O-N 3.26Å; F55-W57 PolarHBondContact O-N 2.63Å; F55-L58 PolarHBondContact O-N 3.25Å; F55-M59 HydrophobicContact CD1-CG 4.37Å; F55-M59 HydrophobicContact CD2-CG 3.98Å; F55-M59 HydrophobicContact CE1-CG 4.15Å; F55-M59 HydrophobicContact CE2-CG 3.76Å; F55-M59 HydrophobicContact CE2-SD 4.49Å; F55-M59 HydrophobicContact CG-CG 4.3Å; F55-M59 HydrophobicContact CZ-CG 3.85Å; F55-M59 VanDerWaalsContact O-CB 3.24Å; F55-M59 WeakPolarHBondContact O-CB 3.34Å; F55-M59 WeakPolarHBondContact O-CG 3.5Å; F55-M59 PolarHBondContact O-N 3.13Å
56N97.9Very high97.1Very high59 Ų5962 Ų6232%0.31635%0.346SS..Hα-helixtrans-57.2-48179.1-76.7-28.7000111.8P52 D53 M59 N60 H61P52-N56 WeakPolarHBondContact O-CB 3.41Å; P52-N56 VanDerWaalsContact O-CG 3.24Å; P52-N56 PolarHBondContact O-N 3.26Å; P52-N56 PolarHBondContact O-ND2 3.2Å; P52-N56 VanDerWaalsContact O-ND2 3.13Å; D53-N56 PolarHBondContact O-N 3.08Å; N56-M59 PolarHBondContact O-N 2.9Å; N56-N60 PolarHBondContact O-N 3.46Å; N56-H61 HydrophobicContact CB-CB 4.18Å; N56-H61 CarbonylContact O-C 3.59Å; N56-H61 WeakPolarHBondContact O-CA 3.43Å; N56-H61 WeakPolarHBondContact O-CB 3.46Å; N56-H61 PolarHBondContact O-N 2.82Å
57W98.2Very high97Very high35 Ų3565.5 Ų65.513%0.13338%0.375CS..Hα-helixtrans-68.5-44.9-177.9-55.4-27.4000112.8L46 C49 D53 L54 F55 M59 N60 K63 P64 V73 Q77L46-W57 HydrophobicContact CD1-CE3 4.05Å; L46-W57 HydrophobicContact CD1-CZ3 3.98Å; C49-W57 HydrophobicContact CB-CH2 4.31Å; C49-W57 HydrophobicContact CB-CZ3 3.98Å; D53-W57 HydrophobicContact CB-CD2 4.43Å; D53-W57 HydrophobicContact CB-CE3 4.49Å; D53-W57 HydrophobicContact CB-CH2 3.84Å; D53-W57 HydrophobicContact CB-CZ2 3.75Å; D53-W57 HydrophobicContact CB-CZ3 4.22Å; D53-W57 PolarHBondContact O-N 3.4Å; L54-W57 HydrophobicContact CD2-CE3 4.12Å; L54-W57 HydrophobicContact CD2-CZ3 4.17Å; L54-W57 PolarHBondContact O-N 2.7Å; F55-W57 PolarHBondContact O-N 2.63Å; W57-M59 VanDerWaalsContact C-N 3.26Å; W57-M59 PolarHBondContact O-N 3.43Å; W57-N60 PolarHBondContact O-N 2.98Å; W57-N60 VanDerWaalsContact O-N 3.13Å; W57-K63 VanDerWaalsContact CD1-C 3.45Å; W57-P64 HydrophobicContact CB-CG 4.42Å; W57-P64 HydrophobicContact CD2-CB 4.24Å; W57-P64 HydrophobicContact CD2-CG 3.52Å; W57-P64 HydrophobicContact CE3-CB 4.46Å; W57-P64 HydrophobicContact CE3-CG 3.73Å; W57-P64 HydrophobicContact CG-CG 3.83Å; W57-P64 HydrophobicContact CH2-CB 4.28Å; W57-P64 HydrophobicContact CH2-CG 4.42Å; W57-P64 HydrophobicContact CZ2-CB 4.06Å; W57-P64 HydrophobicContact CZ2-CG 4.25Å; W57-P64 HydrophobicContact CZ3-CB 4.48Å; W57-P64 HydrophobicContact CZ3-CG 4.18Å; W57-V73 HydrophobicContact CB-CG1 4.09Å; W57-V73 HydrophobicContact CB-CG2 3.99Å; W57-V73 HydrophobicContact CE3-CG2 4.44Å; W57-Q77 PolarHBondContact O-NE2 3.46Å
58L97.1Very high97Very high10 Ų1069.4 Ų69.45%0.05239%0.394CS..Hα-helixtrans-66.9-30179.7-72.4167.7000112.1L20 I24 L54 F55 N60 V73 I76 Q77L20-L58 HydrophobicContact CD2-CD1 3.68Å; I24-L58 HydrophobicContact CD1-CD1 4.09Å; I24-L58 HydrophobicContact CG1-CD1 3.87Å; L54-L58 VanDerWaalsContact O-CB 3.29Å; L54-L58 WeakPolarHBondContact O-CB 3.47Å; L54-L58 WeakPolarHBondContact O-CG 3.44Å; L54-L58 PolarHBondContact O-N 2.98Å; F55-L58 PolarHBondContact O-N 3.25Å; L58-N60 VanDerWaalsContact C-N 3.31Å; L58-V73 HydrophobicContact CD2-CG1 4.34Å; L58-I76 HydrophobicContact CD2-CB 4.21Å; L58-I76 HydrophobicContact CD2-CG2 3.74Å; L58-Q77 HydrophobicContact CD2-CG 4.49Å; L58-Q77 PolarHBondContact O-NE2 2.8Å
59M95.7Very high97.1Very high62 Ų6264.3 Ų64.331%0.30537%0.37SS..THydrogen-bonded Turntrans-876.7175.7-60.1-57.6114.400113.7E19 F55 N56 W57 H61E19-M59 HydrophobicContact CB-CE 4.31Å; F55-M59 HydrophobicContact CD1-CG 4.37Å; F55-M59 HydrophobicContact CD2-CG 3.98Å; F55-M59 HydrophobicContact CE1-CG 4.15Å; F55-M59 HydrophobicContact CE2-CG 3.76Å; F55-M59 HydrophobicContact CE2-SD 4.49Å; F55-M59 HydrophobicContact CG-CG 4.3Å; F55-M59 HydrophobicContact CZ-CG 3.85Å; F55-M59 VanDerWaalsContact O-CB 3.24Å; F55-M59 WeakPolarHBondContact O-CB 3.34Å; F55-M59 WeakPolarHBondContact O-CG 3.5Å; F55-M59 PolarHBondContact O-N 3.13Å; N56-M59 PolarHBondContact O-N 2.9Å; W57-M59 VanDerWaalsContact C-N 3.26Å; W57-M59 PolarHBondContact O-N 3.43Å; M59-H61 PolarHBondContact O-CD2 3.38Å; M59-H61 PolarHBondContact O-N 2.69Å
60N95.9Very high97.2Very high118 Ų11864.6 Ų64.663%0.63137%0.369SS*.THydrogen-bonded Turntrans62.423.6-176.5-55.6-65.6000114.9N56 W57 L58 G62 Q77N56-N60 PolarHBondContact O-N 3.46Å; W57-N60 PolarHBondContact O-N 2.98Å; W57-N60 VanDerWaalsContact O-N 3.13Å; L58-N60 VanDerWaalsContact C-N 3.31Å; N60-G62 VanDerWaalsContact C-N 3.31Å; N60-G62 PolarHBondContact O-N 2.59Å; N60-Q77 PolarHBondContact ND2-NE2 2.71Å; N60-Q77 PolarHBondContact OD1-NE2 3.41Å
61H96.5Very high97.2Very high119 Ų11962.8 Ų62.855%0.55136%0.357SS*.SBendtrans-87.170.9171-58.9165.2000110N56 M59N56-H61 HydrophobicContact CB-CB 4.18Å; N56-H61 CarbonylContact O-C 3.59Å; N56-H61 WeakPolarHBondContact O-CA 3.43Å; N56-H61 WeakPolarHBondContact O-CB 3.46Å; N56-H61 PolarHBondContact O-N 2.82Å; M59-H61 PolarHBondContact O-CD2 3.38Å; M59-H61 PolarHBondContact O-N 2.69Å
62G95.2Very high97.3Very high55 Ų5560.4 Ų60.457%0.56735%0.345SS*.SBendtrans86.8-165.6-173.200000112.2N60N60-G62 VanDerWaalsContact C-N 3.31Å; N60-G62 PolarHBondContact O-N 2.59Å
63K96.2Very high97.3Very high132 Ų13256.8 Ų56.857%0.57432%0.321SS*.  trans-152.3156.7-172.863.3-179.1-160.2146.20112.1W57 E70W57-K63 VanDerWaalsContact CD1-C 3.45Å; K63-E70 IonicContact NZ-OE1 2.79Å; K63-E70 PolarHBondContact NZ-OE1 3.17Å; K63-E70 IonicContact NZ-OE2 3.88Å; K63-E70 PolarHBondContact NZ-OE2 3.11Å
64P96.8Very high97.3Very high5 Ų560.4 Ų60.43%0.03233%0.33CS..  trans-59.3147171.4-1728.3000111W57 D66 L69 E70 V73W57-P64 HydrophobicContact CB-CG 4.42Å; W57-P64 HydrophobicContact CD2-CB 4.24Å; W57-P64 HydrophobicContact CD2-CG 3.52Å; W57-P64 HydrophobicContact CE3-CB 4.46Å; W57-P64 HydrophobicContact CE3-CG 3.73Å; W57-P64 HydrophobicContact CG-CG 3.83Å; W57-P64 HydrophobicContact CH2-CB 4.28Å; W57-P64 HydrophobicContact CH2-CG 4.42Å; W57-P64 HydrophobicContact CZ2-CB 4.06Å; W57-P64 HydrophobicContact CZ2-CG 4.25Å; W57-P64 HydrophobicContact CZ3-CB 4.48Å; W57-P64 HydrophobicContact CZ3-CG 4.18Å; P64-D66 VanDerWaalsContact C-N 3.27Å; P64-L69 HydrophobicContact CB-CB 3.65Å; P64-L69 HydrophobicContact CB-CD1 4.49Å; P64-L69 HydrophobicContact CG-CB 3.84Å; P64-E70 HydrophobicContact CG-CB 4.41Å; P64-V73 HydrophobicContact CG-CG2 4.16Å
65A96Very high97.3Very high117 Ų11761.8 Ų61.897%0.96734%0.337SS*.SBendtrans-71.7-27.4169.800000111.9
66D97.5Very high97.4Very high53 Ų5359 Ų5928%0.28333%0.325SS..SBendtrans-79.7122.1176.3-174-37.4000110.3R45 P64 E68 L69 E70R45-D66 IonicContact CZ-OD2 2.7Å; R45-D66 IonicContact NH2-OD2 3.81Å; R45-D66 PolarHBondContact NH2-OD2 3.46Å; P64-D66 VanDerWaalsContact C-N 3.27Å; D66-E68 VanDerWaalsContact C-N 3.29Å; D66-E68 PolarHBondContact O-N 2.96Å; D66-E68 WeakPolarHBondContact OD1-CB 3.39Å; D66-E68 PolarHBondContact OD1-N 3.17Å; D66-L69 HydrophobicContact CB-CB 4.11Å; D66-L69 HydrophobicContact CB-CD1 3.99Å; D66-L69 HydrophobicContact CB-CG 3.89Å; D66-L69 PolarHBondContact O-N 3.22Å; D66-L69 PolarHBondContact OD1-N 2.86Å; D66-E70 PolarHBondContact O-N 2.95Å
67A97.8Very high97.3Very high75 Ų7558.2 Ų58.262%0.6232%0.319SS*.Hα-helixtrans-64.6-30.6-178.100000113.4M71A67-M71 WeakPolarHBondContact O-CB 3.47Å; A67-M71 PolarHBondContact O-N 3.46Å
68E98.2Very high97.2Very high91 Ų9158.5 Ų58.543%0.42533%0.325SS..Hα-helixtrans-71.1-41.5176.7-63.6-175.5146.500110.5I42 R45 D66 M71 M72I42-E68 HydrophobicContact CD1-CB 3.93Å; I42-E68 HydrophobicContact CD1-CG 4.23Å; I42-E68 HydrophobicContact CG1-CB 4.05Å; I42-E68 HydrophobicContact CG2-CB 4Å; I42-E68 VanDerWaalsContact CG2-O 3.29Å; I42-E68 WeakPolarHBondContact CG2-O 3.29Å; R45-E68 IonicContact CZ-OE2 2.63Å; R45-E68 IonicContact NH1-OE2 2.69Å; R45-E68 PolarHBondContact NH1-OE2 3.36Å; D66-E68 VanDerWaalsContact C-N 3.29Å; D66-E68 PolarHBondContact O-N 2.96Å; D66-E68 WeakPolarHBondContact OD1-CB 3.39Å; D66-E68 PolarHBondContact OD1-N 3.17Å; E68-M71 PolarHBondContact O-N 3.42Å; E68-M72 PolarHBondContact O-N 3.42Å
69L98.4Very high97.1Very high15 Ų1562.3 Ų62.38%0.07934%0.339CS..Hα-helixtrans-65.2-41.5173.6-62.3-174.4000111.2I42 R45 L46 P64 D66 M71 M72 V73I42-L69 HydrophobicContact CG2-CD2 4.3Å; R45-L69 HydrophobicContact CB-CD2 4.3Å; L46-L69 HydrophobicContact CB-CD2 4.03Å; L46-L69 HydrophobicContact CD1-CB 4.39Å; L46-L69 HydrophobicContact CD1-CD2 4.1Å; P64-L69 HydrophobicContact CB-CB 3.65Å; P64-L69 HydrophobicContact CB-CD1 4.49Å; P64-L69 HydrophobicContact CG-CB 3.84Å; D66-L69 HydrophobicContact CB-CB 4.11Å; D66-L69 HydrophobicContact CB-CD1 3.99Å; D66-L69 HydrophobicContact CB-CG 3.89Å; D66-L69 PolarHBondContact O-N 3.22Å; D66-L69 PolarHBondContact OD1-N 2.86Å; L69-M71 VanDerWaalsContact C-N 3.31Å; L69-M71 PolarHBondContact O-N 3.15Å; L69-M72 PolarHBondContact O-N 3.09Å; L69-V73 VanDerWaalsContact O-CG2 3.31Å; L69-V73 WeakPolarHBondContact O-CG2 3.3Å; L69-V73 PolarHBondContact O-N 3.09Å
70E98.4Very high97.1Very high32 Ų3260.7 Ų60.715%0.1533%0.331CS..Hα-helixtrans-58.9-43.9174.9-178177.3178.800111.1K63 P64 D66 V73 R74K63-E70 IonicContact NZ-OE1 2.79Å; K63-E70 PolarHBondContact NZ-OE1 3.17Å; K63-E70 IonicContact NZ-OE2 3.88Å; K63-E70 PolarHBondContact NZ-OE2 3.11Å; P64-E70 HydrophobicContact CG-CB 4.41Å; D66-E70 PolarHBondContact O-N 2.95Å; E70-V73 PolarHBondContact O-N 2.9Å; E70-R74 WeakPolarHBondContact O-CG 3.12Å; E70-R74 PolarHBondContact O-N 3.19Å; E70-R74 VanDerWaalsContact O-N 3.08Å; E70-R74 IonicContact OE1-CZ 3.42Å; E70-R74 IonicContact OE1-NE 3.35Å; E70-R74 PolarHBondContact OE1-NE 2.9Å; E70-R74 IonicContact OE1-NH2 2.71Å; E70-R74 PolarHBondContact OE1-NH2 3.26Å
71M98Very high97Very high80 Ų8063.2 Ų63.239%0.39433%0.332SS..Hα-helixtrans-61.9-44.5176.6178.3-92.8-72.600111.8I42 A67 E68 L69 R74 L75I42-M71 HydrophobicContact CD1-CE 3.69Å; A67-M71 WeakPolarHBondContact O-CB 3.47Å; A67-M71 PolarHBondContact O-N 3.46Å; E68-M71 PolarHBondContact O-N 3.42Å; L69-M71 VanDerWaalsContact C-N 3.31Å; L69-M71 PolarHBondContact O-N 3.15Å; M71-R74 PolarHBondContact O-N 3.4Å; M71-L75 PolarHBondContact O-N 3.27Å
72M98.5Very high96.9Very high0 Ų063.3 Ų63.30%033%0.332CS..Hα-helixtrans-65.9-41178.3-175.355.357.700112.8F27 E39 I42 F43 L46 E68 L69 R74 L75 I76F27-M72 HydrophobicContact CE1-SD 4.21Å; F27-M72 HydrophobicContact CZ-SD 4.13Å; E39-M72 HydrophobicContact CB-CE 3.94Å; E39-M72 HydrophobicContact CG-CE 4.37Å; E39-M72 WeakPolarHBondContact O-CE 3.43Å; I42-M72 HydrophobicContact CB-CE 4.09Å; I42-M72 HydrophobicContact CG2-CB 3.66Å; I42-M72 HydrophobicContact CG2-CE 4.14Å; I42-M72 HydrophobicContact CG2-CG 4.23Å; F43-M72 HydrophobicContact CB-CE 4.15Å; F43-M72 HydrophobicContact CB-CG 4.39Å; F43-M72 HydrophobicContact CB-SD 4.01Å; F43-M72 HydrophobicContact CD2-CG 4.28Å; F43-M72 HydrophobicContact CD2-SD 4.03Å; L46-M72 HydrophobicContact CD2-CB 4.48Å; L46-M72 HydrophobicContact CD2-CG 3.85Å; E68-M72 PolarHBondContact O-N 3.42Å; L69-M72 PolarHBondContact O-N 3.09Å; M72-R74 VanDerWaalsContact C-N 3.32Å; M72-R74 PolarHBondContact O-N 3.29Å; M72-L75 HydrophobicContact CE-CD2 4.25Å; M72-L75 WeakPolarHBondContact O-CB 3.5Å; M72-L75 PolarHBondContact O-N 3.01Å; M72-L75 HydrophobicContact SD-CD2 4.18Å; M72-I76 HydrophobicContact CG-CD1 4.22Å; M72-I76 WeakPolarHBondContact O-CG1 3.44Å; M72-I76 PolarHBondContact O-N 3.44Å; M72-I76 HydrophobicContact SD-CG1 4.44Å
73V98.3Very high96.7Very high6 Ų664 Ų644%0.03632%0.318CS..Hα-helixtrans-58-46.5174.1168.30000110.5L46 W57 L58 P64 L69 E70 L75 I76 Q77L46-V73 HydrophobicContact CD1-CG2 3.95Å; L46-V73 HydrophobicContact CD2-CG2 4.26Å; W57-V73 HydrophobicContact CB-CG1 4.09Å; W57-V73 HydrophobicContact CB-CG2 3.99Å; W57-V73 HydrophobicContact CE3-CG2 4.44Å; L58-V73 HydrophobicContact CD2-CG1 4.34Å; P64-V73 HydrophobicContact CG-CG2 4.16Å; L69-V73 VanDerWaalsContact O-CG2 3.31Å; L69-V73 WeakPolarHBondContact O-CG2 3.3Å; L69-V73 PolarHBondContact O-N 3.09Å; E70-V73 PolarHBondContact O-N 2.9Å; V73-L75 VanDerWaalsContact C-N 3.32Å; V73-L75 PolarHBondContact O-N 3.42Å; V73-I76 PolarHBondContact O-N 3.26Å; V73-Q77 WeakPolarHBondContact O-CG 3.32Å; V73-Q77 PolarHBondContact O-N 3.4Å
74R98Very high96.1Very high146 Ų14659 Ų5955%0.55130%0.303SS*.Hα-helixtrans-63.5-37177.2-70.9174.7-179-136.25.4112.5E70 M71 M72 T78E70-R74 WeakPolarHBondContact O-CG 3.12Å; E70-R74 PolarHBondContact O-N 3.19Å; E70-R74 VanDerWaalsContact O-N 3.08Å; E70-R74 IonicContact OE1-CZ 3.42Å; E70-R74 IonicContact OE1-NE 3.35Å; E70-R74 PolarHBondContact OE1-NE 2.9Å; E70-R74 IonicContact OE1-NH2 2.71Å; E70-R74 PolarHBondContact OE1-NH2 3.26Å; M71-R74 PolarHBondContact O-N 3.4Å; M72-R74 VanDerWaalsContact C-N 3.32Å; M72-R74 PolarHBondContact O-N 3.29Å; R74-T78 VanDerWaalsContact O-CB 3.27Å; R74-T78 WeakPolarHBondContact O-CB 3.17Å; R74-T78 PolarHBondContact O-N 2.77Å; R74-T78 PolarHBondContact O-OG1 3.27Å
75L98.1Very high95.1Very high30 Ų3065.1 Ų65.116%0.15734%0.343CS..Hα-helixtrans-64-48176.1-175.261.5000110.7F27 L35 M71 M72 V73 Q77 T78 R79F27-L75 HydrophobicContact CE2-CG 4.21Å; F27-L75 HydrophobicContact CZ-CD2 4.25Å; F27-L75 HydrophobicContact CZ-CG 4.2Å; L35-L75 HydrophobicContact CD2-CD2 3.74Å; M71-L75 PolarHBondContact O-N 3.27Å; M72-L75 HydrophobicContact CE-CD2 4.25Å; M72-L75 WeakPolarHBondContact O-CB 3.5Å; M72-L75 PolarHBondContact O-N 3.01Å; M72-L75 HydrophobicContact SD-CD2 4.18Å; V73-L75 VanDerWaalsContact C-N 3.32Å; V73-L75 PolarHBondContact O-N 3.42Å; L75-Q77 PolarHBondContact O-N 2.65Å; L75-T78 PolarHBondContact O-N 3.07Å; L75-R79 HydrophobicContact CD1-CG 4.08Å; L75-R79 HydrophobicContact CG-CG 4.4Å; L75-R79 WeakPolarHBondContact O-CG 3.45Å; L75-R79 PolarHBondContact O-N 2.99Å
76I97.9Very high93.7Very high0 Ų062.2 Ų62.20%031%0.313CS..Hα-helixtrans-56-51.2176.1-67.4166.4000110.9F27 F43 L46 L58 M72 V73 T78 R79 N80F27-I76 HydrophobicContact CB-CG1 4.5Å; F27-I76 HydrophobicContact CB-CG2 4.19Å; F27-I76 HydrophobicContact CD1-CD1 4.38Å; F27-I76 HydrophobicContact CD1-CG1 3.68Å; F27-I76 HydrophobicContact CD2-CB 4.1Å; F27-I76 HydrophobicContact CD2-CG1 3.84Å; F27-I76 HydrophobicContact CD2-CG2 4.31Å; F27-I76 HydrophobicContact CE1-CD1 4.45Å; F27-I76 HydrophobicContact CE1-CG1 3.69Å; F27-I76 HydrophobicContact CE2-CB 4.31Å; F27-I76 HydrophobicContact CE2-CG1 3.84Å; F27-I76 HydrophobicContact CG-CB 4.28Å; F27-I76 HydrophobicContact CG-CG1 3.73Å; F27-I76 HydrophobicContact CG-CG2 4.21Å; F27-I76 HydrophobicContact CZ-CG1 3.77Å; F43-I76 HydrophobicContact CD2-CD1 4.14Å; F43-I76 HydrophobicContact CE2-CD1 3.96Å; L46-I76 HydrophobicContact CD2-CD1 3.46Å; L46-I76 VanDerWaalsContact CD2-CD1 3.46Å; L58-I76 HydrophobicContact CD2-CB 4.21Å; L58-I76 HydrophobicContact CD2-CG2 3.74Å; M72-I76 HydrophobicContact CG-CD1 4.22Å; M72-I76 WeakPolarHBondContact O-CG1 3.44Å; M72-I76 PolarHBondContact O-N 3.44Å; M72-I76 HydrophobicContact SD-CG1 4.44Å; V73-I76 PolarHBondContact O-N 3.26Å; I76-T78 VanDerWaalsContact C-N 3.32Å; I76-T78 PolarHBondContact O-N 3.37Å; I76-R79 PolarHBondContact O-N 3.05Å; I76-N80 VanDerWaalsContact O-CB 3.27Å; I76-N80 WeakPolarHBondContact O-CB 3.32Å; I76-N80 PolarHBondContact O-N 3.11Å; I76-N80 PolarHBondContact O-ND2 3.1Å
77Q96.5Very high92Very high41 Ų4164.4 Ų64.419%0.19234%0.339CS..Hα-helixtrans-60-42179-70.5173.2-29.700112.2W57 L58 N60 V73 L75 R81W57-Q77 PolarHBondContact O-NE2 3.46Å; L58-Q77 HydrophobicContact CD2-CG 4.49Å; L58-Q77 PolarHBondContact O-NE2 2.8Å; N60-Q77 PolarHBondContact ND2-NE2 2.71Å; N60-Q77 PolarHBondContact OD1-NE2 3.41Å; V73-Q77 WeakPolarHBondContact O-CG 3.32Å; V73-Q77 PolarHBondContact O-N 3.4Å; L75-Q77 PolarHBondContact O-N 2.65Å; Q77-R81 VanDerWaalsContact O-CB 3.3Å; Q77-R81 WeakPolarHBondContact O-CB 3.36Å; Q77-R81 PolarHBondContact O-N 3.33Å
78T96.7Very high90Very high41 Ų4170.6 Ų70.625%0.25236%0.359SS..Hα-helixtrans-67.2-49.6-179-63.80000111.3R74 L75 I76 N80 R81 E82R74-T78 VanDerWaalsContact O-CB 3.27Å; R74-T78 WeakPolarHBondContact O-CB 3.17Å; R74-T78 PolarHBondContact O-N 2.77Å; R74-T78 PolarHBondContact O-OG1 3.27Å; L75-T78 PolarHBondContact O-N 3.07Å; I76-T78 VanDerWaalsContact C-N 3.32Å; I76-T78 PolarHBondContact O-N 3.37Å; T78-N80 PolarHBondContact O-N 3.3Å; T78-R81 PolarHBondContact O-N 3.35Å; T78-E82 HydrophobicContact CG2-CG 4.49Å; T78-E82 WeakPolarHBondContact CG2-OE1 3.29Å; T78-E82 WeakPolarHBondContact O-CG 3.33Å; T78-E82 PolarHBondContact O-N 3.39Å
79R95.5Very high89.6Confident91 Ų9169.6 Ų69.634%0.34336%0.356SS..Hα-helixtrans-64.4-40.3179.1-65.1-56.7-172.5-176.49.3112.5F27 E31 L75 I76 R81 E82 R83F27-R79 HydrophobicContact CD2-CB 3.94Å; F27-R79 HydrophobicContact CD2-CG 4.35Å; F27-R79 HydrophobicContact CE2-CB 3.96Å; F27-R79 HydrophobicContact CE2-CG 3.85Å; E31-R79 HydrophobicContact CG-CB 3.83Å; E31-R79 HydrophobicContact CG-CG 4.06Å; E31-R79 IonicContact OE2-NE 3.37Å; L75-R79 HydrophobicContact CD1-CG 4.08Å; L75-R79 HydrophobicContact CG-CG 4.4Å; L75-R79 WeakPolarHBondContact O-CG 3.45Å; L75-R79 PolarHBondContact O-N 2.99Å; I76-R79 PolarHBondContact O-N 3.05Å; R79-R81 VanDerWaalsContact C-N 3.33Å; R79-R81 PolarHBondContact O-N 3.43Å; R79-E82 IonicContact NH1-OE2 3.21Å; R79-E82 PolarHBondContact NH1-OE2 3.02Å; R79-E82 PolarHBondContact O-N 3.06Å; R79-R83 WeakPolarHBondContact O-CB 3.49Å; R79-R83 PolarHBondContact O-N 2.94Å
80N94.8Very high89.2Confident27 Ų2772.4 Ų72.414%0.14437%0.37CS..Hα-helixtrans-63.6-39.8175.3-72.9-14.7000112.1S23 I76 T78 R83 G84S23-N80 PolarHBondContact O-ND2 3.37Å; I76-N80 VanDerWaalsContact O-CB 3.27Å; I76-N80 WeakPolarHBondContact O-CB 3.32Å; I76-N80 PolarHBondContact O-N 3.11Å; I76-N80 PolarHBondContact O-ND2 3.1Å; T78-N80 PolarHBondContact O-N 3.3Å; N80-R83 VanDerWaalsContact OD1-CZ 3.29Å; N80-R83 PolarHBondContact OD1-NH1 3.19Å; N80-R83 PolarHBondContact OD1-NH2 2.94Å; N80-G84 PolarHBondContact O-N 3.31Å
81R93.8Very high88.7Confident171 Ų17174.7 Ų74.765%0.64538%0.383SS*.Hα-helixtrans-65.7-41.7175.2-176.7-179.164.1-123-6.1112Q77 T78 R79 G84Q77-R81 VanDerWaalsContact O-CB 3.3Å; Q77-R81 WeakPolarHBondContact O-CB 3.36Å; Q77-R81 PolarHBondContact O-N 3.33Å; T78-R81 PolarHBondContact O-N 3.35Å; R79-R81 VanDerWaalsContact C-N 3.33Å; R79-R81 PolarHBondContact O-N 3.43Å; R81-G84 PolarHBondContact O-N 3.07Å
82E94.1Very high88.1Confident121 Ų12174.4 Ų74.457%0.56538%0.382SS*.Hα-helixtrans-68.2-40.5179.3-74.8173.6178.900112.7T78 R79 G84T78-E82 HydrophobicContact CG2-CG 4.49Å; T78-E82 WeakPolarHBondContact CG2-OE1 3.29Å; T78-E82 WeakPolarHBondContact O-CG 3.33Å; T78-E82 PolarHBondContact O-N 3.39Å; R79-E82 IonicContact NH1-OE2 3.21Å; R79-E82 PolarHBondContact NH1-OE2 3.02Å; R79-E82 PolarHBondContact O-N 3.06Å; E82-G84 VanDerWaalsContact C-N 3.26Å; E82-G84 PolarHBondContact O-N 3.12Å
83R91.1Very high87.5Confident71 Ų7179 Ų7927%0.26841%0.406SS..Hα-helixtrans-65.4-31.9176.2-172.4177.664-106.5-8.7112P26 R79 N80P26-R83 VanDerWaalsContact CB-NH2 3.27Å; R79-R83 WeakPolarHBondContact O-CB 3.49Å; R79-R83 PolarHBondContact O-N 2.94Å; N80-R83 VanDerWaalsContact OD1-CZ 3.29Å; N80-R83 PolarHBondContact OD1-NH1 3.19Å; N80-R83 PolarHBondContact OD1-NH2 2.94Å
84G84Confident86.7Confident26 Ų2683.9 Ų83.927%0.26843%0.431SS..  trans85.6-171.3-175.300000112.7N80 R81 E82 V86N80-G84 PolarHBondContact O-N 3.31Å; R81-G84 PolarHBondContact O-N 3.07Å; E82-G84 VanDerWaalsContact C-N 3.26Å; E82-G84 PolarHBondContact O-N 3.12Å; G84-V86 PolarHBondContact O-N 3.04Å
85P75.2Confident85.9Confident133 Ų13379.4 Ų79.486%0.86442%0.422SS*.SBendtrans-60133.8-175.625.8-33.4000110.5A87P85-A87 PolarHBondContact O-N 3.06Å
86V67.9Low85Confident57 Ų5783.2 Ų83.235%0.34544%0.442SS..PPolyproline II helixtrans-65.9123.7169-176.50000106.5P26 G84 I88P26-V86 HydrophobicContact CB-CG2 3.8Å; P26-V86 HydrophobicContact CG-CG1 4.18Å; P26-V86 HydrophobicContact CG-CG2 3.59Å; G84-V86 PolarHBondContact O-N 3.04Å; V86-I88 PolarHBondContact O-N 3.2Å; V86-I88 VanDerWaalsContact O-N 3.14Å
87A61Low83.9Confident99 Ų9990.2 Ų90.282%0.81848%0.479SS*.PPolyproline II helixtrans-62.5116.7170.100000107.5P85P85-A87 PolarHBondContact O-N 3.06Å
88I56.8Low82.8Confident204 Ų20494.6 Ų94.6100%1.04651%0.505SS*.  trans-79.50175.2-50.3174.6000108.6V86V86-I88 PolarHBondContact O-N 3.2Å; V86-I88 VanDerWaalsContact O-N 3.14Å

Retrieved 88 of 88 residues in 842.8 ms (Link to these results)

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