| 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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 79.3 | Confident | 89.6 | Confident | 199 Ų | 199 | 74.1 Ų | 74.1 | 98% | 0.98 | 41% | 0.405 | S | S | * | . | 0 | -59.3 | 0 | -65.4 | -57.1 | -85.3 | 0 | 0 | 111.9 | N3 A4 C5 | M1-N3 PolarHBondContact O-N 3.12Å; M1-A4 PolarHBondContact O-N 2.81Å; M1-C5 PolarHBondContact O-N 2.9Å; M1-C5 PolarHBondContact O-SG 3.49Å; M1-C5 VanDerWaalsContact O-SG 3.4Å | |||
| 2 | G | 84.2 | Confident | 89.8 | Confident | 32 Ų | 32 | 77.9 Ų | 77.9 | 33% | 0.33 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -54.2 | -44.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | A4 C5 W6 | G2-A4 PolarHBondContact O-N 3.23Å; G2-C5 PolarHBondContact O-N 3.34Å; G2-W6 VanDerWaalsContact O-CD1 3.23Å; G2-W6 PolarHBondContact O-N 3.25Å; G2-W6 VanDerWaalsContact O-N 3.12Å |
| 3 | N | 86.3 | Confident | 89.7 | Confident | 59 Ų | 59 | 76.1 Ų | 76.1 | 32% | 0.316 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -58.3 | -46.6 | 178.8 | -170.9 | 46.9 | 0 | 0 | 0 | 112.9 | M1 C5 W6 E7 | M1-N3 PolarHBondContact O-N 3.12Å; N3-C5 VanDerWaalsContact C-N 3.34Å; N3-C5 PolarHBondContact O-N 3.11Å; N3-W6 PolarHBondContact O-N 3.2Å; N3-E7 PolarHBondContact O-N 3.12Å |
| 4 | A | 89.2 | Confident | 89.7 | Confident | 59 Ų | 59 | 73.4 Ų | 73.4 | 49% | 0.488 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.5 | -35 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1 G2 L8 | M1-A4 PolarHBondContact O-N 2.81Å; G2-A4 PolarHBondContact O-N 3.23Å; A4-L8 PolarHBondContact O-N 3.06Å |
| 5 | C | 92 | Very high | 89.9 | Confident | 65 Ų | 65 | 69.1 Ų | 69.1 | 44% | 0.439 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 175.2 | -64.5 | 0 | 0 | 0 | 0 | 111.6 | M1 G2 N3 L8 Y9 | M1-C5 PolarHBondContact O-N 2.9Å; M1-C5 PolarHBondContact O-SG 3.49Å; M1-C5 VanDerWaalsContact O-SG 3.4Å; G2-C5 PolarHBondContact O-N 3.34Å; N3-C5 VanDerWaalsContact C-N 3.34Å; N3-C5 PolarHBondContact O-N 3.11Å; C5-L8 PolarHBondContact O-N 3.3Å; C5-Y9 PolarHBondContact O-N 2.97Å |
| 6 | W | 93.5 | Very high | 90.1 | Very high | 31 Ų | 31 | 70.1 Ų | 70.1 | 12% | 0.117 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -70.5 | -34.7 | 179 | -76 | 108.4 | 0 | 0 | 0 | 112.9 | G2 N3 L8 Y9 C10 F37 F38 P48 A50 F52 F72 | G2-W6 VanDerWaalsContact O-CD1 3.23Å; G2-W6 PolarHBondContact O-N 3.25Å; G2-W6 VanDerWaalsContact O-N 3.12Å; N3-W6 PolarHBondContact O-N 3.2Å; W6-L8 VanDerWaalsContact C-N 3.34Å; W6-Y9 HydrophobicContact CE3-CD2 4.11Å; W6-Y9 AromaticContact CZ3-CD2 4Å; W6-Y9 HydrophobicContact CZ3-CD2 4Å; W6-Y9 PolarHBondContact O-N 2.81Å; W6-C10 WeakPolarHBondContact O-CB 3.38Å; W6-C10 PolarHBondContact O-N 3.13Å; W6-C10 PolarHBondContact O-SG 3.22Å; W6-F37 HydrophobicContact CH2-CB 4.13Å; W6-F37 HydrophobicContact CZ3-CB 4.25Å; W6-F38 HydrophobicContact CE3-CE1 4.15Å; W6-F38 AromaticContact CE3-CZ 3.86Å; W6-F38 HydrophobicContact CE3-CZ 3.86Å; W6-F38 AromaticContact CZ3-CE1 3.95Å; W6-F38 HydrophobicContact CZ3-CE1 3.95Å; W6-F38 AromaticContact CZ3-CE2 3.99Å; W6-F38 HydrophobicContact CZ3-CE2 3.99Å; W6-F38 AromaticContact CZ3-CZ 3.64Å; W6-F38 HydrophobicContact CZ3-CZ 3.64Å; W6-P48 HydrophobicContact CD2-CB 3.92Å; W6-P48 HydrophobicContact CD2-CG 4.16Å; W6-P48 HydrophobicContact CE3-CB 3.71Å; W6-P48 HydrophobicContact CE3-CG 3.77Å; W6-P48 HydrophobicContact CH2-CB 3.75Å; W6-P48 HydrophobicContact CZ2-CB 3.97Å; W6-P48 HydrophobicContact CZ3-CB 3.61Å; W6-P48 HydrophobicContact CZ3-CG 4.03Å; W6-A50 HydrophobicContact CZ2-CB 3.59Å; W6-F52 AromaticContact CD1-CZ 3.72Å; W6-F72 HydrophobicContact CB-CE1 4.5Å; W6-F72 HydrophobicContact CB-CZ 3.99Å; W6-F72 HydrophobicContact CD2-CE1 4.48Å; W6-F72 HydrophobicContact CG-CE1 4.11Å; W6-F72 HydrophobicContact CG-CZ 4.05Å |
| 7 | E | 93 | Very high | 90.4 | Very high | 84 Ų | 84 | 69.2 Ų | 69.2 | 39% | 0.393 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -58.6 | -46.8 | 170.1 | 170.7 | 166.3 | -150.8 | 0 | 0 | 111.3 | N3 C10 L11 Y68 | N3-E7 PolarHBondContact O-N 3.12Å; E7-C10 PolarHBondContact O-N 2.91Å; E7-L11 HydrophobicContact CG-CD1 4.38Å; E7-L11 WeakPolarHBondContact O-CG 3.35Å; E7-L11 PolarHBondContact O-N 2.93Å; E7-Y68 HydrophobicContact CB-CE2 3.76Å; E7-Y68 HydrophobicContact CG-CE2 3.74Å |
| 8 | L | 93.1 | Very high | 90.6 | Very high | 89 Ų | 89 | 68.4 Ų | 68.4 | 47% | 0.466 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 177.4 | -176.5 | 62.3 | 0 | 0 | 0 | 112 | A4 C5 W6 C10 L11 E12 | A4-L8 PolarHBondContact O-N 3.06Å; C5-L8 PolarHBondContact O-N 3.3Å; W6-L8 VanDerWaalsContact C-N 3.34Å; L8-C10 VanDerWaalsContact C-N 3.29Å; L8-C10 PolarHBondContact O-N 3.11Å; L8-L11 WeakPolarHBondContact O-CB 3.07Å; L8-L11 PolarHBondContact O-N 2.82Å; L8-L11 VanDerWaalsContact O-N 3.11Å; L8-E12 HydrophobicContact CD1-CG 4.37Å; L8-E12 HydrophobicContact CG-CG 4.37Å; L8-E12 WeakPolarHBondContact O-CG 3.38Å; L8-E12 PolarHBondContact O-N 2.91Å |
| 9 | Y | 91.1 | Very high | 90.7 | Very high | 78 Ų | 78 | 64.8 Ų | 64.8 | 31% | 0.306 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.6 | -38.6 | 175.9 | -80.4 | 4.3 | 0 | 0 | 0 | 112.4 | C5 W6 L11 E12 H13 F37 | C5-Y9 PolarHBondContact O-N 2.97Å; W6-Y9 HydrophobicContact CE3-CD2 4.11Å; W6-Y9 AromaticContact CZ3-CD2 4Å; W6-Y9 HydrophobicContact CZ3-CD2 4Å; W6-Y9 PolarHBondContact O-N 2.81Å; Y9-L11 VanDerWaalsContact C-N 3.33Å; Y9-L11 PolarHBondContact O-N 2.86Å; Y9-E12 PolarHBondContact O-N 3.42Å; Y9-H13 WeakPolarHBondContact O-CB 3.36Å; Y9-H13 PolarHBondContact O-CD2 3.43Å; Y9-H13 PolarHBondContact O-N 3.3Å; Y9-F37 AromaticContact CE2-CD1 3.99Å; Y9-F37 HydrophobicContact CE2-CD1 3.99Å; Y9-F37 HydrophobicContact CE2-CE1 4.13Å; Y9-F37 HydrophobicContact CE2-CG 4.25Å |
| 10 | C | 92.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62 | -43.1 | 174.3 | -69.5 | 0 | 0 | 0 | 0 | 111.3 | W6 E7 L8 H13 G14 I15 Y68 L71 | W6-C10 WeakPolarHBondContact O-CB 3.38Å; W6-C10 PolarHBondContact O-N 3.13Å; W6-C10 PolarHBondContact O-SG 3.22Å; E7-C10 PolarHBondContact O-N 2.91Å; L8-C10 VanDerWaalsContact C-N 3.29Å; L8-C10 PolarHBondContact O-N 3.11Å; C10-H13 PolarHBondContact O-N 2.81Å; C10-G14 CarbonylContact O-C 3.47Å; C10-G14 WeakPolarHBondContact O-CA 3.46Å; C10-G14 PolarHBondContact O-N 3.25Å; C10-I15 HydrophobicContact CB-CB 4.26Å; C10-I15 WeakPolarHBondContact CB-O 3.2Å; C10-I15 PolarHBondContact O-N 3.22Å; C10-Y68 HydrophobicContact CB-CE1 3.92Å; C10-L71 VanDerWaalsContact SG-CD2 3.56Å |
| 11 | L | 91.9 | Very high | 90.7 | Very high | 119 Ų | 119 | 63.4 Ų | 63.4 | 62% | 0.623 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65.4 | -43.6 | 177.3 | -69 | 169.9 | 0 | 0 | 0 | 112.6 | E7 L8 Y9 H13 G14 | E7-L11 HydrophobicContact CG-CD1 4.38Å; E7-L11 WeakPolarHBondContact O-CG 3.35Å; E7-L11 PolarHBondContact O-N 2.93Å; L8-L11 WeakPolarHBondContact O-CB 3.07Å; L8-L11 PolarHBondContact O-N 2.82Å; L8-L11 VanDerWaalsContact O-N 3.11Å; Y9-L11 VanDerWaalsContact C-N 3.33Å; Y9-L11 PolarHBondContact O-N 2.86Å; L11-H13 VanDerWaalsContact C-N 3.3Å; L11-H13 PolarHBondContact O-N 3.27Å; L11-G14 PolarHBondContact O-N 3.21Å |
| 12 | E | 91.2 | Very high | 90.8 | Very high | 120 Ų | 120 | 58.2 Ų | 58.2 | 56% | 0.561 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -63.3 | -36.5 | 179.4 | -73.7 | 176.6 | 174.6 | 0 | 0 | 112.3 | L8 Y9 | L8-E12 HydrophobicContact CD1-CG 4.37Å; L8-E12 HydrophobicContact CG-CG 4.37Å; L8-E12 WeakPolarHBondContact O-CG 3.38Å; L8-E12 PolarHBondContact O-N 2.91Å; Y9-E12 PolarHBondContact O-N 3.42Å |
| 13 | H | 88.4 | Confident | 90.3 | Very high | 54 Ų | 54 | 60.6 Ų | 60.6 | 25% | 0.25 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -97 | 0.2 | -179 | -64.7 | -63.4 | 0 | 0 | 0 | 113.9 | Y9 C10 L11 I15 M21 | Y9-H13 WeakPolarHBondContact O-CB 3.36Å; Y9-H13 PolarHBondContact O-CD2 3.43Å; Y9-H13 PolarHBondContact O-N 3.3Å; C10-H13 PolarHBondContact O-N 2.81Å; L11-H13 VanDerWaalsContact C-N 3.3Å; L11-H13 PolarHBondContact O-N 3.27Å; H13-I15 HydrophobicContact CB-CD1 3.95Å; H13-I15 HydrophobicContact CB-CG1 4.05Å; H13-I15 PolarHBondContact O-N 3.32Å; H13-M21 WeakPolarHBondContact O-CE 3.5Å |
| 14 | G | 90.3 | Very high | 89.5 | Confident | 39 Ų | 39 | 58.9 Ų | 58.9 | 40% | 0.402 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.7 | 25 | -179 | 0 | 0 | 0 | 0 | 0 | 114.1 | C10 L11 | C10-G14 CarbonylContact O-C 3.47Å; C10-G14 WeakPolarHBondContact O-CA 3.46Å; C10-G14 PolarHBondContact O-N 3.25Å; L11-G14 PolarHBondContact O-N 3.21Å |
| 15 | I | 92 | Very high | 88.4 | Confident | 8 Ų | 8 | 65.4 Ų | 65.4 | 4% | 0.041 | 35% | 0.345 | C | S | . | . | trans | -84.3 | 128 | 176.1 | -59.3 | 169.2 | 0 | 0 | 0 | 108.3 | C10 H13 M21 F38 H46 L71 | C10-I15 HydrophobicContact CB-CB 4.26Å; C10-I15 WeakPolarHBondContact CB-O 3.2Å; C10-I15 PolarHBondContact O-N 3.22Å; H13-I15 HydrophobicContact CB-CD1 3.95Å; H13-I15 HydrophobicContact CB-CG1 4.05Å; H13-I15 PolarHBondContact O-N 3.32Å; I15-M21 HydrophobicContact CG1-CB 4.36Å; I15-M21 HydrophobicContact CG1-CG 4.41Å; I15-M21 HydrophobicContact CG1-SD 4Å; I15-F38 HydrophobicContact CD1-CD1 3.87Å; I15-F38 HydrophobicContact CD1-CD2 3.9Å; I15-F38 HydrophobicContact CD1-CE1 3.63Å; I15-F38 HydrophobicContact CD1-CE2 3.69Å; I15-F38 HydrophobicContact CD1-CG 4Å; I15-F38 HydrophobicContact CD1-CZ 3.55Å; I15-H46 HydrophobicContact CD1-CB 4.05Å; I15-H46 HydrophobicContact CG1-CB 4.47Å; I15-H46 HydrophobicContact CG2-CB 4.21Å; I15-L71 HydrophobicContact CG2-CD1 4.35Å | ||
| 16 | Q | 94.1 | Very high | 87.1 | Confident | 86 Ų | 86 | 65.6 Ų | 65.6 | 40% | 0.402 | 35% | 0.345 | S | S | . | . | trans | -75.9 | 162.3 | 178.1 | -66.3 | -172.7 | 12 | 0 | 0 | 111.5 | D18 G19 Q20 | Q16-D18 VanDerWaalsContact CB-OD1 3.26Å; Q16-D18 WeakPolarHBondContact CB-OD1 3.3Å; Q16-D18 PolarHBondContact O-N 3.48Å; Q16-G19 WeakPolarHBondContact O-CA 3.43Å; Q16-G19 PolarHBondContact O-N 3.37Å; Q16-Q20 WeakPolarHBondContact CB-O 3.47Å; Q16-Q20 WeakPolarHBondContact CG-O 3.31Å; Q16-Q20 PolarHBondContact N-O 2.63Å | ||
| 17 | P | 94.8 | Very high | 85.6 | Confident | 54 Ų | 54 | 69.7 Ų | 69.7 | 35% | 0.351 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -17.1 | -179.8 | -25.2 | 34.9 | 0 | 0 | 0 | 115.7 | P67 Y68 | P17-P67 WeakPolarHBondContact CB-O 3.48Å; P17-Y68 HydrophobicContact CB-CD1 3.82Å; P17-Y68 HydrophobicContact CB-CE1 3.89Å; P17-Y68 HydrophobicContact CB-CG 4.39Å; P17-Y68 HydrophobicContact CG-CD1 4.43Å; P17-Y68 HydrophobicContact CG-CE1 4Å |
| 18 | D | 93.7 | Very high | 84 | Confident | 55 Ų | 55 | 69 Ų | 69 | 29% | 0.294 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -1.7 | 173.2 | 67.6 | -7.6 | 0 | 0 | 0 | 113.7 | Q16 Q20 K45 Q70 | Q16-D18 VanDerWaalsContact CB-OD1 3.26Å; Q16-D18 WeakPolarHBondContact CB-OD1 3.3Å; Q16-D18 PolarHBondContact O-N 3.48Å; D18-Q20 VanDerWaalsContact OD1-CB 3.31Å; D18-Q20 WeakPolarHBondContact OD1-CB 3.23Å; D18-Q20 WeakPolarHBondContact OD1-CG 3.38Å; D18-Q20 PolarHBondContact OD1-N 3.28Å; D18-Q20 WeakPolarHBondContact OD2-CG 3.44Å; D18-K45 VanDerWaalsContact O-CE 3.25Å; D18-K45 WeakPolarHBondContact O-CE 3.49Å; D18-K45 WeakPolarHBondContact O-CG 3.26Å; D18-Q70 HydrophobicContact CB-CB 4.44Å |
| 19 | G | 92.4 | Very high | 82.5 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 38% | 0.384 | C | S | . | . | S | Bend | trans | 87.2 | 4.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q16 H46 | Q16-G19 WeakPolarHBondContact O-CA 3.43Å; Q16-G19 PolarHBondContact O-N 3.37Å; G19-H46 WeakPolarHBondContact O-CB 3.31Å; G19-H46 PolarHBondContact O-N 2.83Å |
| 20 | Q | 91.9 | Very high | 80.9 | Confident | 73 Ų | 73 | 65.5 Ų | 65.5 | 34% | 0.341 | 39% | 0.392 | S | S | . | . | trans | -79.7 | 142.8 | 177.5 | -66.7 | -66 | -25.9 | 0 | 0 | 111.5 | Q16 D18 | Q16-Q20 WeakPolarHBondContact CB-O 3.47Å; Q16-Q20 WeakPolarHBondContact CG-O 3.31Å; Q16-Q20 PolarHBondContact N-O 2.63Å; D18-Q20 VanDerWaalsContact OD1-CB 3.31Å; D18-Q20 WeakPolarHBondContact OD1-CB 3.23Å; D18-Q20 WeakPolarHBondContact OD1-CG 3.38Å; D18-Q20 PolarHBondContact OD1-N 3.28Å; D18-Q20 WeakPolarHBondContact OD2-CG 3.44Å | ||
| 21 | M | 88.9 | Confident | 79.2 | Confident | 27 Ų | 27 | 73.4 Ų | 73.4 | 13% | 0.133 | 43% | 0.434 | C | S | . | . | trans | -127.2 | 86.8 | 177 | -173.1 | 172.2 | 168.5 | 0 | 0 | 109.4 | H13 I15 S23 D24 F34 | H13-M21 WeakPolarHBondContact O-CE 3.5Å; I15-M21 HydrophobicContact CG1-CB 4.36Å; I15-M21 HydrophobicContact CG1-CG 4.41Å; I15-M21 HydrophobicContact CG1-SD 4Å; M21-S23 PolarHBondContact O-N 3.01Å; M21-S23 VanDerWaalsContact O-N 3.08Å; M21-D24 HydrophobicContact CB-CB 4.07Å; M21-D24 HydrophobicContact CE-CB 4.32Å; M21-D24 HydrophobicContact CG-CB 3.82Å; M21-D24 WeakPolarHBondContact O-CB 3.4Å; M21-D24 PolarHBondContact O-N 3.37Å; M21-D24 HydrophobicContact SD-CB 3.99Å; M21-F34 HydrophobicContact CE-CE1 4.3Å; M21-F34 HydrophobicContact CE-CZ 4.34Å; M21-F34 HydrophobicContact SD-CE2 4.39Å; M21-F34 HydrophobicContact SD-CZ 4.16Å | ||
| 22 | P | 81.5 | Confident | 78.2 | Confident | 91 Ų | 91 | 71.2 Ų | 71.2 | 59% | 0.591 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -21.2 | -173.1 | -21.5 | 30.8 | 0 | 0 | 0 | 114.8 | D24 | P22-D24 VanDerWaalsContact C-N 3.33Š|
| 23 | S | 75.4 | Confident | 77.4 | Confident | 82 Ų | 82 | 70.3 Ų | 70.3 | 57% | 0.573 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | -22.6 | 175.8 | 48.7 | 0 | 0 | 0 | 0 | 113 | M21 K25 | M21-S23 PolarHBondContact O-N 3.01Å; M21-S23 VanDerWaalsContact O-N 3.08Å; S23-K25 PolarHBondContact O-N 2.93Å |
| 24 | D | 68.6 | Low | 76.9 | Confident | 23 Ų | 23 | 68.5 Ų | 68.5 | 12% | 0.123 | 42% | 0.422 | C | S | . | . | trans | -78.2 | 117 | 177.5 | -172.2 | 1.3 | 0 | 0 | 0 | 109.7 | M21 P22 T26 H46 | M21-D24 HydrophobicContact CB-CB 4.07Å; M21-D24 HydrophobicContact CE-CB 4.32Å; M21-D24 HydrophobicContact CG-CB 3.82Å; M21-D24 WeakPolarHBondContact O-CB 3.4Å; M21-D24 PolarHBondContact O-N 3.37Å; M21-D24 HydrophobicContact SD-CB 3.99Å; P22-D24 VanDerWaalsContact C-N 3.33Å; D24-T26 WeakPolarHBondContact OD1-CA 3.14Å; D24-T26 PolarHBondContact OD1-N 3.44Å; D24-T26 PolarHBondContact OD1-OG1 2.95Å; D24-H46 IonicContact OD2-CE1 3.5Å; D24-H46 IonicContact OD2-NE2 3.53Å | ||
| 25 | K | 65.3 | Low | 76.4 | Confident | 195 Ų | 195 | 69 Ų | 69 | 85% | 0.848 | 42% | 0.417 | S | S | * | . | trans | -103.7 | 1.7 | 178.3 | -65 | -177 | -178.6 | 176.1 | 0 | 111.9 | S23 | S23-K25 PolarHBondContact O-N 2.93Š| ||
| 26 | T | 64.6 | Low | 76.1 | Confident | 69 Ų | 69 | 73.3 Ų | 73.3 | 42% | 0.423 | 44% | 0.444 | S | S | . | . | trans | -108.5 | 46.4 | -171.9 | 31 | 0 | 0 | 0 | 0 | 111.4 | D24 G28 G29 | D24-T26 WeakPolarHBondContact OD1-CA 3.14Å; D24-T26 PolarHBondContact OD1-N 3.44Å; D24-T26 PolarHBondContact OD1-OG1 2.95Å; T26-G28 PolarHBondContact O-N 2.88Å; T26-G29 PolarHBondContact O-N 2.8Å | ||
| 27 | I | 63.7 | Low | 76 | Confident | 118 Ų | 118 | 73.3 Ų | 73.3 | 61% | 0.605 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | 114.6 | 174.4 | -60.8 | 174.2 | 0 | 0 | 0 | 109.2 | E40 | I27-E40 VanDerWaalsContact CA-OE1 3.3Å; I27-E40 WeakPolarHBondContact CA-OE1 3.25Å; I27-E40 WeakPolarHBondContact CG2-OE1 3Å |
| 28 | G | 57.8 | Low | 75.8 | Confident | 70 Ų | 70 | 70.9 Ų | 70.9 | 72% | 0.722 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | 14.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | T26 E40 | T26-G28 PolarHBondContact O-N 2.88Å; G28-E40 PolarHBondContact N-OE1 3.3Å; G28-E40 PolarHBondContact N-OE2 3.28Å |
| 29 | G | 62.4 | Low | 75.7 | Confident | 47 Ų | 47 | 70.4 Ų | 70.4 | 49% | 0.485 | 43% | 0.427 | S | S | . | . | trans | -129.2 | 58.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | T26 | T26-G29 PolarHBondContact O-N 2.8Š| ||
| 30 | G | 56.5 | Low | 75.5 | Confident | 46 Ų | 46 | 73.3 Ų | 73.3 | 47% | 0.474 | 44% | 0.441 | S | S | . | . | trans | -97.9 | 105.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 31 | D | 58.8 | Low | 75.2 | Confident | 165 Ų | 165 | 71.8 Ų | 71.8 | 88% | 0.882 | 44% | 0.437 | S | S | * | . | trans | -117 | 21.7 | 156.8 | -147.4 | 18.2 | 0 | 0 | 0 | 110.9 | ||||
| 32 | D | 69.4 | Low | 74.9 | Confident | 74 Ų | 74 | 74.7 Ų | 74.7 | 40% | 0.396 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -79 | 144.8 | 175.8 | -75.2 | -24.5 | 0 | 0 | 0 | 111.4 | F34 T35 | D32-F34 HydrophobicContact CB-CD1 3.63Å; D32-F34 HydrophobicContact CB-CE1 3.23Å; D32-F34 HydrophobicContact CB-CG 4.48Å; D32-F34 HydrophobicContact CB-CZ 3.8Å; D32-F34 PolarHBondContact O-N 3.44Å; D32-F34 WeakPolarHBondContact OD2-CE1 3.49Å; D32-T35 WeakPolarHBondContact O-CB 3.4Å; D32-T35 WeakPolarHBondContact O-CG2 3.43Å; D32-T35 PolarHBondContact O-N 2.76Å; D32-T35 VanDerWaalsContact O-N 3.14Å; D32-T35 PolarHBondContact O-OG1 3.46Å |
| 33 | S | 75.1 | Confident | 75.1 | Confident | 101 Ų | 101 | 74 Ų | 74 | 71% | 0.706 | 48% | 0.475 | S | S | * | . | G | 310 helix | trans | -60.8 | -22.2 | -172.5 | 56.6 | 0 | 0 | 0 | 0 | 114.8 | T36 | S33-T36 WeakPolarHBondContact O-CB 3.4Å; S33-T36 PolarHBondContact O-OG1 3.04Å |
| 34 | F | 76.7 | Confident | 75.6 | Confident | 16 Ų | 16 | 70.4 Ų | 70.4 | 7% | 0.07 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -78.5 | -15.4 | -179.2 | 63.7 | -99.3 | 0 | 0 | 0 | 114 | M21 D32 T36 F37 F38 H46 | M21-F34 HydrophobicContact CE-CE1 4.3Å; M21-F34 HydrophobicContact CE-CZ 4.34Å; M21-F34 HydrophobicContact SD-CE2 4.39Å; M21-F34 HydrophobicContact SD-CZ 4.16Å; D32-F34 HydrophobicContact CB-CD1 3.63Å; D32-F34 HydrophobicContact CB-CE1 3.23Å; D32-F34 HydrophobicContact CB-CG 4.48Å; D32-F34 HydrophobicContact CB-CZ 3.8Å; D32-F34 PolarHBondContact O-N 3.44Å; D32-F34 WeakPolarHBondContact OD2-CE1 3.49Å; F34-T36 PolarHBondContact O-N 3.49Å; F34-T36 VanDerWaalsContact O-N 3.09Å; F34-F37 PolarHBondContact O-N 3.38Å; F34-F38 PolarHBondContact O-N 3.29Å; F34-F38 VanDerWaalsContact O-N 3.15Å; F34-H46 AromaticContact CE2-CD2 3.81Å; F34-H46 AromaticContact CE2-NE2 3.64Å |
| 35 | T | 81.1 | Confident | 76.7 | Confident | 49 Ų | 49 | 71.6 Ų | 71.6 | 30% | 0.301 | 46% | 0.455 | S | S | . | . | G | 310 helix | trans | -61.3 | -17.6 | 173.4 | 60.5 | 0 | 0 | 0 | 0 | 112.9 | D32 F37 F38 R49 | D32-T35 WeakPolarHBondContact O-CB 3.4Å; D32-T35 WeakPolarHBondContact O-CG2 3.43Å; D32-T35 PolarHBondContact O-N 2.76Å; D32-T35 VanDerWaalsContact O-N 3.14Å; D32-T35 PolarHBondContact O-OG1 3.46Å; T35-F37 PolarHBondContact O-N 3.38Å; T35-F38 CarbonylContact C-O 3.57Å; T35-R49 PolarHBondContact O-NE 2.57Å |
| 36 | T | 86.3 | Confident | 78 | Confident | 98 Ų | 98 | 62.5 Ų | 62.5 | 60% | 0.601 | 42% | 0.416 | S | S | * | . | G | 310 helix | trans | -57.5 | -36.8 | 168.8 | -48.8 | 0 | 0 | 0 | 0 | 112.3 | S33 F34 R49 | S33-T36 WeakPolarHBondContact O-CB 3.4Å; S33-T36 PolarHBondContact O-OG1 3.04Å; F34-T36 PolarHBondContact O-N 3.49Å; F34-T36 VanDerWaalsContact O-N 3.09Å; T36-R49 WeakPolarHBondContact O-CD 3.43Å |
| 37 | F | 90.8 | Very high | 79.4 | Confident | 87 Ų | 87 | 59.3 Ų | 59.3 | 38% | 0.382 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | -22.1 | -175.4 | -65.4 | -77.3 | 0 | 0 | 0 | 113.4 | W6 Y9 F34 T35 R49 | W6-F37 HydrophobicContact CH2-CB 4.13Å; W6-F37 HydrophobicContact CZ3-CB 4.25Å; Y9-F37 AromaticContact CE2-CD1 3.99Å; Y9-F37 HydrophobicContact CE2-CD1 3.99Å; Y9-F37 HydrophobicContact CE2-CE1 4.13Å; Y9-F37 HydrophobicContact CE2-CG 4.25Å; F34-F37 PolarHBondContact O-N 3.38Å; T35-F37 PolarHBondContact O-N 3.38Å; F37-R49 WeakPolarHBondContact O-CB 3.43Å; F37-R49 PolarHBondContact O-N 3.21Å |
| 38 | F | 91.3 | Very high | 80.9 | Confident | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.009 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 144.3 | -178.1 | -64.3 | -93.5 | 0 | 0 | 0 | 112.3 | W6 I15 F34 T35 H46 V47 P48 R49 | W6-F38 HydrophobicContact CE3-CE1 4.15Å; W6-F38 AromaticContact CE3-CZ 3.86Å; W6-F38 HydrophobicContact CE3-CZ 3.86Å; W6-F38 AromaticContact CZ3-CE1 3.95Å; W6-F38 HydrophobicContact CZ3-CE1 3.95Å; W6-F38 AromaticContact CZ3-CE2 3.99Å; W6-F38 HydrophobicContact CZ3-CE2 3.99Å; W6-F38 AromaticContact CZ3-CZ 3.64Å; W6-F38 HydrophobicContact CZ3-CZ 3.64Å; I15-F38 HydrophobicContact CD1-CD1 3.87Å; I15-F38 HydrophobicContact CD1-CD2 3.9Å; I15-F38 HydrophobicContact CD1-CE1 3.63Å; I15-F38 HydrophobicContact CD1-CE2 3.69Å; I15-F38 HydrophobicContact CD1-CG 4Å; I15-F38 HydrophobicContact CD1-CZ 3.55Å; F34-F38 PolarHBondContact O-N 3.29Å; F34-F38 VanDerWaalsContact O-N 3.15Å; T35-F38 CarbonylContact C-O 3.57Å; F38-H46 HydrophobicContact CB-CB 4.28Å; F38-H46 HydrophobicContact CD1-CB 4.09Å; F38-H46 HydrophobicContact CG-CB 4.42Å; F38-V47 CarbonylContact C-O 3.57Å; F38-V47 WeakPolarHBondContact CA-O 3.04Å; F38-P48 HydrophobicContact CD1-CG 4.15Å; F38-P48 HydrophobicContact CE1-CG 3.8Å; F38-R49 PolarHBondContact O-NE 2.94Å; F38-R49 PolarHBondContact O-NH2 3.03Å |
| 39 | C | 90.5 | Very high | 82.6 | Confident | 45 Ų | 45 | 57.3 Ų | 57.3 | 30% | 0.304 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 128.6 | 162.8 | -67.1 | 0 | 0 | 0 | 0 | 108.9 | H46 V47 R49 | C39-H46 CarbonylContact O-C 2.95Å; C39-H46 WeakPolarHBondContact O-CA 3.34Å; C39-V47 PolarHBondContact N-O 3.25Å; C39-V47 PolarHBondContact O-N 2.88Å; C39-R49 VanDerWaalsContact SG-CG 3.58Å; C39-R49 PolarHBondContact SG-NH1 2.83Å; C39-R49 PolarHBondContact SG-NH2 2.88Å |
| 40 | E | 88.5 | Confident | 84.1 | Confident | 61 Ų | 61 | 55.7 Ų | 55.7 | 29% | 0.285 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 131.2 | 167 | -158.8 | -163.1 | 162 | 0 | 0 | 109.8 | I27 G28 K45 | I27-E40 VanDerWaalsContact CA-OE1 3.3Å; I27-E40 WeakPolarHBondContact CA-OE1 3.25Å; I27-E40 WeakPolarHBondContact CG2-OE1 3Å; G28-E40 PolarHBondContact N-OE1 3.3Å; G28-E40 PolarHBondContact N-OE2 3.28Å; E40-K45 CarbonylContact C-O 3.54Å; E40-K45 WeakPolarHBondContact CA-O 3.4Å |
| 41 | T | 86.9 | Confident | 86 | Confident | 42 Ų | 42 | 58.1 Ų | 58.1 | 26% | 0.258 | 35% | 0.347 | S | S | . | . | P | Polyproline II helix | trans | -86.8 | 160.9 | 168.9 | 69.4 | 0 | 0 | 0 | 0 | 110 | A43 G44 K45 V47 | T41-A43 PolarHBondContact O-N 2.86Å; T41-A43 PolarHBondContact OG1-N 3.01Å; T41-G44 PolarHBondContact O-N 3.06Å; T41-K45 HydrophobicContact CG2-CB 4.34Å; T41-K45 PolarHBondContact N-O 2.78Å; T41-K45 VanDerWaalsContact OG1-CB 3.31Å; T41-K45 WeakPolarHBondContact OG1-CB 3.49Å; T41-K45 PolarHBondContact OG1-N 3.34Å; T41-K45 PolarHBondContact OG1-O 3.48Å; T41-V47 HydrophobicContact CG2-CG2 4.05Å |
| 42 | G | 82.1 | Confident | 87.7 | Confident | 88 Ų | 88 | 51.7 Ų | 51.7 | 91% | 0.907 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -7.8 | 175 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 43 | A | 85.9 | Confident | 88.9 | Confident | 76 Ų | 76 | 52.9 Ų | 52.9 | 63% | 0.628 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | 12 | 174 | 0 | 0 | 0 | 0 | 0 | 113.3 | T41 K45 | T41-A43 PolarHBondContact O-N 2.86Å; T41-A43 PolarHBondContact OG1-N 3.01Å; A43-K45 PolarHBondContact O-N 2.8Å |
| 44 | G | 85.8 | Confident | 89.8 | Confident | 6 Ų | 6 | 50 Ų | 50 | 6% | 0.062 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 74.9 | 6.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | T41 H46 | T41-G44 PolarHBondContact O-N 3.06Å; G44-H46 PolarHBondContact O-ND1 3Å |
| 45 | K | 91.1 | Very high | 90.6 | Very high | 48 Ų | 48 | 53.4 Ų | 53.4 | 21% | 0.209 | 32% | 0.316 | C | S | . | . | trans | -80.7 | 127.3 | 178.2 | -175.4 | -173.1 | 178.3 | -168.6 | 0 | 110.4 | D18 E40 T41 A43 V47 Q70 | D18-K45 VanDerWaalsContact O-CE 3.25Å; D18-K45 WeakPolarHBondContact O-CE 3.49Å; D18-K45 WeakPolarHBondContact O-CG 3.26Å; E40-K45 CarbonylContact C-O 3.54Å; E40-K45 WeakPolarHBondContact CA-O 3.4Å; T41-K45 HydrophobicContact CG2-CB 4.34Å; T41-K45 PolarHBondContact N-O 2.78Å; T41-K45 VanDerWaalsContact OG1-CB 3.31Å; T41-K45 WeakPolarHBondContact OG1-CB 3.49Å; T41-K45 PolarHBondContact OG1-N 3.34Å; T41-K45 PolarHBondContact OG1-O 3.48Å; A43-K45 PolarHBondContact O-N 2.8Å; K45-V47 HydrophobicContact CD-CG2 4.01Å; K45-V47 HydrophobicContact CG-CG2 4.08Å; K45-Q70 WeakPolarHBondContact CE-O 3.12Å; K45-Q70 PolarHBondContact NZ-O 3.15Å | ||
| 46 | H | 92.2 | Very high | 91.1 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 2% | 0.023 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 115 | 173.5 | -66 | 78.4 | 0 | 0 | 0 | 110 | I15 G19 D24 F34 F38 C39 G44 | I15-H46 HydrophobicContact CD1-CB 4.05Å; I15-H46 HydrophobicContact CG1-CB 4.47Å; I15-H46 HydrophobicContact CG2-CB 4.21Å; G19-H46 WeakPolarHBondContact O-CB 3.31Å; G19-H46 PolarHBondContact O-N 2.83Å; D24-H46 IonicContact OD2-CE1 3.5Å; D24-H46 IonicContact OD2-NE2 3.53Å; F34-H46 AromaticContact CE2-CD2 3.81Å; F34-H46 AromaticContact CE2-NE2 3.64Å; F38-H46 HydrophobicContact CB-CB 4.28Å; F38-H46 HydrophobicContact CD1-CB 4.09Å; F38-H46 HydrophobicContact CG-CB 4.42Å; C39-H46 CarbonylContact O-C 2.95Å; C39-H46 WeakPolarHBondContact O-CA 3.34Å; G44-H46 PolarHBondContact O-ND1 3Å |
| 47 | V | 94.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.006 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 127 | -178.4 | -177.9 | 0 | 0 | 0 | 0 | 110 | F38 C39 T41 K45 R49 L71 H73 | F38-V47 CarbonylContact C-O 3.57Å; F38-V47 WeakPolarHBondContact CA-O 3.04Å; C39-V47 PolarHBondContact N-O 3.25Å; C39-V47 PolarHBondContact O-N 2.88Å; T41-V47 HydrophobicContact CG2-CG2 4.05Å; K45-V47 HydrophobicContact CD-CG2 4.01Å; K45-V47 HydrophobicContact CG-CG2 4.08Å; V47-R49 PolarHBondContact O-N 2.78Å; V47-L71 WeakPolarHBondContact CG1-O 3.26Å; V47-H73 WeakPolarHBondContact CG1-CD2 3.49Å |
| 48 | P | 95.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -54 | 136.5 | 175.9 | -31.6 | 38.7 | 0 | 0 | 0 | 113.5 | W6 F38 A50 L71 F72 Q76 | W6-P48 HydrophobicContact CD2-CB 3.92Å; W6-P48 HydrophobicContact CD2-CG 4.16Å; W6-P48 HydrophobicContact CE3-CB 3.71Å; W6-P48 HydrophobicContact CE3-CG 3.77Å; W6-P48 HydrophobicContact CH2-CB 3.75Å; W6-P48 HydrophobicContact CZ2-CB 3.97Å; W6-P48 HydrophobicContact CZ3-CB 3.61Å; W6-P48 HydrophobicContact CZ3-CG 4.03Å; F38-P48 HydrophobicContact CD1-CG 4.15Å; F38-P48 HydrophobicContact CE1-CG 3.8Å; P48-A50 HydrophobicContact CB-CB 4.11Å; P48-A50 PolarHBondContact O-N 3.08Å; P48-L71 WeakPolarHBondContact CD-O 3.41Å; P48-L71 HydrophobicContact CG-CD1 4.22Å; P48-L71 HydrophobicContact CG-CD2 3.67Å; P48-L71 HydrophobicContact CG-CG 3.65Å; P48-F72 HydrophobicContact CB-CD1 3.96Å; P48-F72 HydrophobicContact CB-CE1 3.73Å; P48-F72 HydrophobicContact CG-CD1 3.89Å; P48-F72 HydrophobicContact CG-CE1 3.58Å; P48-F72 HydrophobicContact CG-CZ 4.35Å; P48-Q76 PolarHBondContact O-NE2 3.49Å |
| 49 | R | 94.4 | Very high | 91.5 | Very high | 146 Ų | 146 | 53.8 Ų | 53.8 | 55% | 0.551 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -80.2 | 65.3 | 166 | -63.3 | 175.9 | -172.8 | -83.6 | -2.1 | 109.3 | T35 T36 F37 F38 C39 V47 | T35-R49 PolarHBondContact O-NE 2.57Å; T36-R49 WeakPolarHBondContact O-CD 3.43Å; F37-R49 WeakPolarHBondContact O-CB 3.43Å; F37-R49 PolarHBondContact O-N 3.21Å; F38-R49 PolarHBondContact O-NE 2.94Å; F38-R49 PolarHBondContact O-NH2 3.03Å; C39-R49 VanDerWaalsContact SG-CG 3.58Å; C39-R49 PolarHBondContact SG-NH1 2.83Å; C39-R49 PolarHBondContact SG-NH2 2.88Å; V47-R49 PolarHBondContact O-N 2.78Å |
| 50 | A | 94 | Very high | 91.7 | Very high | 13 Ų | 13 | 51.8 Ų | 51.8 | 11% | 0.107 | 31% | 0.309 | C | S | . | . | trans | -130.9 | 154.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | W6 P48 F52 Q76 | W6-A50 HydrophobicContact CZ2-CB 3.59Å; P48-A50 HydrophobicContact CB-CB 4.11Å; P48-A50 PolarHBondContact O-N 3.08Å; A50-F52 HydrophobicContact CB-CE2 4.13Å; A50-Q76 WeakPolarHBondContact O-CB 3.37Å; A50-Q76 WeakPolarHBondContact O-CG 3.08Å; A50-Q76 PolarHBondContact O-NE2 3.05Å | ||
| 51 | V | 95.1 | Very high | 92 | Very high | 98 Ų | 98 | 51.7 Ų | 51.7 | 59% | 0.594 | 31% | 0.311 | S | S | * | . | trans | -130.2 | 130.5 | 167.7 | -177.1 | 0 | 0 | 0 | 0 | 107.8 | V53 I78 | V51-V53 HydrophobicContact CG1-CG2 3.76Å; V51-I78 HydrophobicContact CG1-CD1 4.02Å | ||
| 52 | F | 94.3 | Very high | 92.3 | Very high | 29 Ų | 29 | 56 Ų | 56 | 13% | 0.127 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 129 | 171.4 | -66.1 | -102.4 | 0 | 0 | 0 | 108.5 | W6 A50 I60 I63 F72 Q76 L77 I78 | W6-F52 AromaticContact CD1-CZ 3.72Å; A50-F52 HydrophobicContact CB-CE2 4.13Å; F52-I60 HydrophobicContact CB-CD1 3.45Å; F52-I60 VanDerWaalsContact CB-CD1 3.45Å; F52-I60 HydrophobicContact CG-CD1 4.43Å; F52-I63 HydrophobicContact CD1-CD1 3.52Å; F52-I63 HydrophobicContact CE1-CD1 3.63Å; F52-I63 HydrophobicContact CG-CD1 4.02Å; F52-I63 HydrophobicContact CZ-CD1 4.22Å; F52-F72 HydrophobicContact CD2-CE1 4.5Å; F52-F72 AromaticContact CE2-CD1 3.89Å; F52-F72 HydrophobicContact CE2-CD1 3.89Å; F52-F72 AromaticContact CE2-CE1 3.48Å; F52-F72 HydrophobicContact CE2-CE1 3.48Å; F52-F72 VanDerWaalsContact CE2-CE1 3.48Å; F52-F72 HydrophobicContact CE2-CE2 4.49Å; F52-F72 AromaticContact CE2-CZ 3.82Å; F52-F72 HydrophobicContact CE2-CZ 3.82Å; F52-F72 HydrophobicContact CZ-CE1 4.09Å; F52-F72 HydrophobicContact CZ-CZ 4.02Å; F52-Q76 PolarHBondContact N-O 3.37Å; F52-L77 HydrophobicContact CB-CD2 3.84Å; F52-L77 HydrophobicContact CD2-CD2 3.64Å; F52-L77 HydrophobicContact CE2-CD2 4.48Å; F52-L77 HydrophobicContact CG-CD2 3.97Å; F52-I78 PolarHBondContact O-N 3.44Å |
| 53 | V | 94.4 | Very high | 92.9 | Very high | 99 Ų | 99 | 52.3 Ų | 52.3 | 60% | 0.6 | 29% | 0.287 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 126.2 | -179.5 | -172.3 | 0 | 0 | 0 | 0 | 107.7 | V51 I78 | V51-V53 HydrophobicContact CG1-CG2 3.76Å; V53-I78 WeakPolarHBondContact CA-O 3.44Å; V53-I78 HydrophobicContact CG1-CB 4.47Å; V53-I78 HydrophobicContact CG1-CG2 4.47Å; V53-I78 HydrophobicContact CG2-CB 4.36Å; V53-I78 HydrophobicContact CG2-CD1 4.35Å |
| 54 | D | 94.4 | Very high | 93.3 | Very high | 42 Ų | 42 | 52.5 Ų | 52.5 | 23% | 0.225 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 150 | 171.2 | -153.3 | -39.9 | 0 | 0 | 0 | 109.5 | E56 V59 I60 I78 T79 G80 | D54-E56 VanDerWaalsContact C-N 3.3Å; D54-E56 WeakPolarHBondContact CB-O 3.38Å; D54-E56 PolarHBondContact OD1-N 3.27Å; D54-V59 WeakPolarHBondContact OD2-CB 3.46Å; D54-I60 HydrophobicContact CB-CD1 4.18Å; D54-I60 HydrophobicContact CB-CG1 3.64Å; D54-I78 PolarHBondContact N-O 2.87Å; D54-T79 CarbonylContact O-C 3.43Å; D54-T79 VanDerWaalsContact O-CA 3.23Å; D54-T79 WeakPolarHBondContact O-CA 3.44Å; D54-G80 PolarHBondContact O-N 3.23Å |
| 55 | L | 93.3 | Very high | 93.7 | Very high | 86 Ų | 86 | 58.3 Ų | 58.3 | 45% | 0.45 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -83.1 | -15.1 | 177.6 | -64.5 | -179 | 0 | 0 | 0 | 111.9 | G80 K81 E82 A84 | L55-G80 CarbonylContact O-C 3.55Å; L55-G80 WeakPolarHBondContact O-CA 3.48Å; L55-G80 PolarHBondContact O-N 2.84Å; L55-K81 PolarHBondContact O-N 3.49Å; L55-E82 WeakPolarHBondContact CB-O 3.47Å; L55-E82 CarbonylContact O-C 3.59Å; L55-E82 PolarHBondContact O-N 3.38Å; L55-E82 VanDerWaalsContact O-O 3.09Å; L55-A84 HydrophobicContact CD1-CB 3.73Å |
| 56 | E | 92.9 | Very high | 93.8 | Very high | 43 Ų | 43 | 56.9 Ų | 56.9 | 20% | 0.201 | 30% | 0.3 | C | S | . | . | S | Bend | trans | -127.7 | 154.2 | 175 | 75.1 | 79.2 | -155.3 | 0 | 0 | 111 | D54 T58 V59 D83 | D54-E56 VanDerWaalsContact C-N 3.3Å; D54-E56 WeakPolarHBondContact CB-O 3.38Å; D54-E56 PolarHBondContact OD1-N 3.27Å; E56-T58 VanDerWaalsContact CD-N 3.27Å; E56-T58 WeakPolarHBondContact OE1-CB 3.3Å; E56-T58 PolarHBondContact OE1-N 3.28Å; E56-T58 PolarHBondContact OE1-OG1 2.88Å; E56-T58 WeakPolarHBondContact OE2-CA 3.47Å; E56-T58 WeakPolarHBondContact OE2-CB 3.49Å; E56-T58 PolarHBondContact OE2-N 2.75Å; E56-T58 PolarHBondContact OE2-OG1 3.14Å; E56-V59 PolarHBondContact OE1-N 3.15Å; E56-D83 HydrophobicContact CB-CB 4.16Å; E56-D83 HydrophobicContact CG-CB 4.33Å |
| 57 | P | 91.8 | Very high | 93.9 | Very high | 48 Ų | 48 | 61.7 Ų | 61.7 | 31% | 0.312 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -79.3 | -20.1 | -168.3 | 30.4 | -35.6 | 0 | 0 | 0 | 115.4 | V59 I60 D61 T79 | P57-V59 PolarHBondContact O-N 3.09Å; P57-I60 PolarHBondContact O-N 3.06Å; P57-D61 VanDerWaalsContact O-CB 3.26Å; P57-D61 WeakPolarHBondContact O-CB 3.44Å; P57-D61 VanDerWaalsContact O-CG 3.27Å; P57-D61 PolarHBondContact O-N 2.87Å; P57-T79 HydrophobicContact CB-CG2 4.36Å |
| 58 | T | 92.9 | Very high | 93.9 | Very high | 83 Ų | 83 | 62.4 Ų | 62.4 | 51% | 0.509 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -57.5 | -52.8 | -165.3 | -49.1 | 0 | 0 | 0 | 0 | 112 | E56 I60 D61 E62 | E56-T58 VanDerWaalsContact CD-N 3.27Å; E56-T58 WeakPolarHBondContact OE1-CB 3.3Å; E56-T58 PolarHBondContact OE1-N 3.28Å; E56-T58 PolarHBondContact OE1-OG1 2.88Å; E56-T58 WeakPolarHBondContact OE2-CA 3.47Å; E56-T58 WeakPolarHBondContact OE2-CB 3.49Å; E56-T58 PolarHBondContact OE2-N 2.75Å; E56-T58 PolarHBondContact OE2-OG1 3.14Å; T58-I60 PolarHBondContact O-N 2.86Å; T58-D61 PolarHBondContact O-N 3.44Å; T58-E62 PolarHBondContact O-N 2.92Å; T58-E62 VanDerWaalsContact O-N 3.15Å |
| 59 | V | 92.2 | Very high | 93.9 | Very high | 70 Ų | 70 | 69.2 Ų | 69.2 | 42% | 0.424 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65.9 | -38.7 | -177.2 | 179.7 | 0 | 0 | 0 | 0 | 112.1 | D54 E56 P57 | D54-V59 WeakPolarHBondContact OD2-CB 3.46Å; E56-V59 PolarHBondContact OE1-N 3.15Å; P57-V59 PolarHBondContact O-N 3.09Å |
| 60 | I | 93.9 | Very high | 93.9 | Very high | 4 Ų | 4 | 66.8 Ų | 66.8 | 2% | 0.021 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -73.3 | -34.5 | 179.1 | -59.9 | -63.2 | 0 | 0 | 0 | 111.1 | F52 D54 P57 T58 E62 I63 R64 L77 T79 | F52-I60 HydrophobicContact CB-CD1 3.45Å; F52-I60 VanDerWaalsContact CB-CD1 3.45Å; F52-I60 HydrophobicContact CG-CD1 4.43Å; D54-I60 HydrophobicContact CB-CD1 4.18Å; D54-I60 HydrophobicContact CB-CG1 3.64Å; P57-I60 PolarHBondContact O-N 3.06Å; T58-I60 PolarHBondContact O-N 2.86Å; I60-E62 VanDerWaalsContact C-N 3.28Å; I60-E62 PolarHBondContact O-N 2.92Å; I60-I63 HydrophobicContact CD1-CD1 4.45Å; I60-I63 WeakPolarHBondContact O-CA 3.47Å; I60-I63 WeakPolarHBondContact O-CB 3.31Å; I60-I63 PolarHBondContact O-N 2.64Å; I60-R64 HydrophobicContact CG2-CG 4.3Å; I60-R64 WeakPolarHBondContact O-CG 3.41Å; I60-R64 PolarHBondContact O-N 3.43Å; I60-L77 HydrophobicContact CG2-CB 3.71Å; I60-T79 HydrophobicContact CB-CG2 3.32Å; I60-T79 HydrophobicContact CG1-CG2 3.48Å; I60-T79 VanDerWaalsContact CG1-CG2 3.48Å; I60-T79 HydrophobicContact CG2-CG2 3.57Å |
| 61 | D | 93.9 | Very high | 94 | Very high | 58 Ų | 58 | 66.1 Ų | 66.1 | 31% | 0.31 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67.7 | -28.9 | 177.4 | -78.3 | -8.1 | 0 | 0 | 0 | 112 | P57 T58 I63 R64 N65 | P57-D61 VanDerWaalsContact O-CB 3.26Å; P57-D61 WeakPolarHBondContact O-CB 3.44Å; P57-D61 VanDerWaalsContact O-CG 3.27Å; P57-D61 PolarHBondContact O-N 2.87Å; T58-D61 PolarHBondContact O-N 3.44Å; D61-I63 VanDerWaalsContact C-N 3.27Å; D61-I63 PolarHBondContact O-N 2.95Å; D61-R64 PolarHBondContact O-N 3.22Å; D61-R64 WeakPolarHBondContact OD1-CD 3.42Å; D61-R64 IonicContact OD1-CZ 3.76Å; D61-R64 IonicContact OD1-NE 3.99Å; D61-R64 IonicContact OD1-NH1 2.81Å; D61-R64 PolarHBondContact OD1-NH1 3.43Å; D61-N65 WeakPolarHBondContact O-CB 3.23Å; D61-N65 PolarHBondContact O-N 3.13Å; D61-N65 PolarHBondContact O-ND2 2.98Å |
| 62 | E | 94.4 | Very high | 94 | Very high | 134 Ų | 134 | 61.9 Ų | 61.9 | 63% | 0.626 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60.5 | -37.8 | 168 | -69.7 | -177.9 | 174.8 | 0 | 0 | 111.9 | T58 I60 G66 | T58-E62 PolarHBondContact O-N 2.92Å; T58-E62 VanDerWaalsContact O-N 3.15Å; I60-E62 VanDerWaalsContact C-N 3.28Å; I60-E62 PolarHBondContact O-N 2.92Å; E62-G66 VanDerWaalsContact O-CA 3.24Å; E62-G66 WeakPolarHBondContact O-CA 3.24Å; E62-G66 PolarHBondContact O-N 3.41Å |
| 63 | I | 93.4 | Very high | 94 | Very high | 9 Ų | 9 | 63.5 Ų | 63.5 | 5% | 0.046 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -72.3 | -44.9 | 176.5 | -56 | 172.7 | 0 | 0 | 0 | 110.2 | F52 I60 D61 N65 G66 R69 F72 L77 | F52-I63 HydrophobicContact CD1-CD1 3.52Å; F52-I63 HydrophobicContact CE1-CD1 3.63Å; F52-I63 HydrophobicContact CG-CD1 4.02Å; F52-I63 HydrophobicContact CZ-CD1 4.22Å; I60-I63 HydrophobicContact CD1-CD1 4.45Å; I60-I63 WeakPolarHBondContact O-CA 3.47Å; I60-I63 WeakPolarHBondContact O-CB 3.31Å; I60-I63 PolarHBondContact O-N 2.64Å; D61-I63 VanDerWaalsContact C-N 3.27Å; D61-I63 PolarHBondContact O-N 2.95Å; I63-N65 PolarHBondContact O-N 3.29Å; I63-G66 PolarHBondContact O-N 3.12Å; I63-R69 WeakPolarHBondContact O-CA 3.45Å; I63-F72 HydrophobicContact CG2-CD2 3.71Å; I63-F72 HydrophobicContact CG2-CE2 3.77Å; I63-L77 HydrophobicContact CG2-CD1 4.28Å; I63-L77 HydrophobicContact CG2-CD2 4.29Å |
| 64 | R | 94.6 | Very high | 93.9 | Very high | 81 Ų | 81 | 63.8 Ų | 63.8 | 31% | 0.306 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -63.7 | -26.9 | 179.7 | -68.8 | 173.4 | 179.4 | 155.5 | -0.1 | 113.3 | I60 D61 R69 L77 T79 | I60-R64 HydrophobicContact CG2-CG 4.3Å; I60-R64 WeakPolarHBondContact O-CG 3.41Å; I60-R64 PolarHBondContact O-N 3.43Å; D61-R64 PolarHBondContact O-N 3.22Å; D61-R64 WeakPolarHBondContact OD1-CD 3.42Å; D61-R64 IonicContact OD1-CZ 3.76Å; D61-R64 IonicContact OD1-NE 3.99Å; D61-R64 IonicContact OD1-NH1 2.81Å; D61-R64 PolarHBondContact OD1-NH1 3.43Å; R64-R69 WeakPolarHBondContact O-CB 3.35Å; R64-L77 HydrophobicContact CG-CD1 3.62Å; R64-L77 PolarHBondContact NH2-O 3.43Å; R64-T79 PolarHBondContact NH2-OG1 3.24Å |
| 65 | N | 94.8 | Very high | 93.8 | Very high | 128 Ų | 128 | 69.1 Ų | 69.1 | 68% | 0.684 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -107.8 | -3.4 | 179.4 | -62.2 | -56.4 | 0 | 0 | 0 | 113.2 | D61 I63 | D61-N65 WeakPolarHBondContact O-CB 3.23Å; D61-N65 PolarHBondContact O-N 3.13Å; D61-N65 PolarHBondContact O-ND2 2.98Å; I63-N65 PolarHBondContact O-N 3.29Å |
| 66 | G | 94 | Very high | 93.9 | Very high | 18 Ų | 18 | 66.6 Ų | 66.6 | 19% | 0.186 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -80.8 | -179.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | E62 I63 Y68 R69 | E62-G66 VanDerWaalsContact O-CA 3.24Å; E62-G66 WeakPolarHBondContact O-CA 3.24Å; E62-G66 PolarHBondContact O-N 3.41Å; I63-G66 PolarHBondContact O-N 3.12Å; G66-Y68 PolarHBondContact O-N 3.29Å; G66-R69 VanDerWaalsContact O-CB 3.26Å; G66-R69 WeakPolarHBondContact O-CB 3.5Å; G66-R69 VanDerWaalsContact O-CG 3.31Å; G66-R69 WeakPolarHBondContact O-CG 3.41Å; G66-R69 PolarHBondContact O-N 3.19Å; G66-R69 VanDerWaalsContact O-N 3.08Å |
| 67 | P | 93.9 | Very high | 94 | Very high | 105 Ų | 105 | 65 Ų | 65 | 68% | 0.682 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -36.2 | 179.9 | -24.6 | 34.3 | 0 | 0 | 0 | 113.2 | P17 R69 | P17-P67 WeakPolarHBondContact CB-O 3.48Å; P67-R69 VanDerWaalsContact C-N 3.34Å |
| 68 | Y | 94.2 | Very high | 94.2 | Very high | 17 Ų | 17 | 66.9 Ų | 66.9 | 7% | 0.067 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 18 | -179.5 | -67.3 | -83.2 | 0 | 0 | 0 | 113.6 | E7 C10 P17 G66 Q70 L71 | E7-Y68 HydrophobicContact CB-CE2 3.76Å; E7-Y68 HydrophobicContact CG-CE2 3.74Å; C10-Y68 HydrophobicContact CB-CE1 3.92Å; P17-Y68 HydrophobicContact CB-CD1 3.82Å; P17-Y68 HydrophobicContact CB-CE1 3.89Å; P17-Y68 HydrophobicContact CB-CG 4.39Å; P17-Y68 HydrophobicContact CG-CD1 4.43Å; P17-Y68 HydrophobicContact CG-CE1 4Å; G66-Y68 PolarHBondContact O-N 3.29Å; Y68-Q70 PolarHBondContact O-N 3.08Å; Y68-L71 HydrophobicContact CD1-CB 4.26Å; Y68-L71 HydrophobicContact CD1-CD2 3.72Å; Y68-L71 HydrophobicContact CD1-CG 4.49Å; Y68-L71 HydrophobicContact CE1-CD2 4.48Å; Y68-L71 HydrophobicContact CG-CD2 4.37Å; Y68-L71 VanDerWaalsContact O-CB 3.23Å; Y68-L71 WeakPolarHBondContact O-CB 3.46Å; Y68-L71 PolarHBondContact O-N 2.79Å |
| 69 | R | 94.8 | Very high | 94.3 | Very high | 143 Ų | 143 | 65.1 Ų | 65.1 | 54% | 0.54 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -24.7 | 179.5 | 65.6 | -179.1 | -174 | 78.5 | 4.5 | 114.7 | I63 R64 G66 P67 | I63-R69 WeakPolarHBondContact O-CA 3.45Å; R64-R69 WeakPolarHBondContact O-CB 3.35Å; G66-R69 VanDerWaalsContact O-CB 3.26Å; G66-R69 WeakPolarHBondContact O-CB 3.5Å; G66-R69 VanDerWaalsContact O-CG 3.31Å; G66-R69 WeakPolarHBondContact O-CG 3.41Å; G66-R69 PolarHBondContact O-N 3.19Å; G66-R69 VanDerWaalsContact O-N 3.08Å; P67-R69 VanDerWaalsContact C-N 3.34Å |
| 70 | Q | 95.1 | Very high | 94.2 | Very high | 94 Ų | 94 | 63.3 Ų | 63.3 | 44% | 0.439 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | -12.8 | 179.2 | -67.9 | -175.7 | 81.1 | 0 | 0 | 112.2 | D18 K45 Y68 | D18-Q70 HydrophobicContact CB-CB 4.44Å; K45-Q70 WeakPolarHBondContact CE-O 3.12Å; K45-Q70 PolarHBondContact NZ-O 3.15Å; Y68-Q70 PolarHBondContact O-N 3.08Å |
| 71 | L | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 72.8 Ų | 72.8 | 0% | 0 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -45 | -174.4 | -174.5 | 66 | 0 | 0 | 0 | 111.8 | C10 I15 V47 P48 Y68 | C10-L71 VanDerWaalsContact SG-CD2 3.56Å; I15-L71 HydrophobicContact CG2-CD1 4.35Å; V47-L71 WeakPolarHBondContact CG1-O 3.26Å; P48-L71 WeakPolarHBondContact CD-O 3.41Å; P48-L71 HydrophobicContact CG-CD1 4.22Å; P48-L71 HydrophobicContact CG-CD2 3.67Å; P48-L71 HydrophobicContact CG-CG 3.65Å; Y68-L71 HydrophobicContact CD1-CB 4.26Å; Y68-L71 HydrophobicContact CD1-CD2 3.72Å; Y68-L71 HydrophobicContact CD1-CG 4.49Å; Y68-L71 HydrophobicContact CE1-CD2 4.48Å; Y68-L71 HydrophobicContact CG-CD2 4.37Å; Y68-L71 VanDerWaalsContact O-CB 3.23Å; Y68-L71 WeakPolarHBondContact O-CB 3.46Å; Y68-L71 PolarHBondContact O-N 2.79Å |
| 72 | F | 94.6 | Very high | 93.5 | Very high | 8 Ų | 8 | 78 Ų | 78 | 4% | 0.035 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -90 | 152.9 | -174.1 | -54.4 | -79 | 0 | 0 | 0 | 112.7 | W6 P48 F52 I63 L77 | W6-F72 HydrophobicContact CB-CE1 4.5Å; W6-F72 HydrophobicContact CB-CZ 3.99Å; W6-F72 HydrophobicContact CD2-CE1 4.48Å; W6-F72 HydrophobicContact CG-CE1 4.11Å; W6-F72 HydrophobicContact CG-CZ 4.05Å; P48-F72 HydrophobicContact CB-CD1 3.96Å; P48-F72 HydrophobicContact CB-CE1 3.73Å; P48-F72 HydrophobicContact CG-CD1 3.89Å; P48-F72 HydrophobicContact CG-CE1 3.58Å; P48-F72 HydrophobicContact CG-CZ 4.35Å; F52-F72 HydrophobicContact CD2-CE1 4.5Å; F52-F72 AromaticContact CE2-CD1 3.89Å; F52-F72 HydrophobicContact CE2-CD1 3.89Å; F52-F72 AromaticContact CE2-CE1 3.48Å; F52-F72 HydrophobicContact CE2-CE1 3.48Å; F52-F72 VanDerWaalsContact CE2-CE1 3.48Å; F52-F72 HydrophobicContact CE2-CE2 4.49Å; F52-F72 AromaticContact CE2-CZ 3.82Å; F52-F72 HydrophobicContact CE2-CZ 3.82Å; F52-F72 HydrophobicContact CZ-CE1 4.09Å; F52-F72 HydrophobicContact CZ-CZ 4.02Å; I63-F72 HydrophobicContact CG2-CD2 3.71Å; I63-F72 HydrophobicContact CG2-CE2 3.77Å; F72-L77 HydrophobicContact CB-CD1 4.39Å; F72-L77 HydrophobicContact CB-CD2 4.31Å; F72-L77 HydrophobicContact CB-CG 4.38Å; F72-L77 HydrophobicContact CG-CD2 4.47Å |
| 73 | H | 94.4 | Very high | 93.2 | Very high | 64 Ų | 64 | 76 Ų | 76 | 30% | 0.296 | 39% | 0.386 | S | S | . | . | trans | -73.5 | 135.5 | 164.9 | -72.9 | -66.7 | 0 | 0 | 0 | 109.7 | V47 E75 Q76 | V47-H73 WeakPolarHBondContact CG1-CD2 3.49Å; H73-E75 HydrophobicContact CB-CG 3.91Å; H73-E75 PolarHBondContact O-N 3.4Å; H73-E75 VanDerWaalsContact O-N 3.12Å; H73-Q76 HydrophobicContact CB-CG 4.04Å; H73-Q76 VanDerWaalsContact O-CB 3.3Å; H73-Q76 WeakPolarHBondContact O-CB 3.26Å; H73-Q76 PolarHBondContact O-N 3.38Å | ||
| 74 | P | 93.1 | Very high | 92.8 | Very high | 105 Ų | 105 | 77.5 Ų | 77.5 | 68% | 0.682 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -56.4 | -31.4 | 179.3 | -27.2 | 35 | 0 | 0 | 0 | 113.8 | Q76 L77 | P74-Q76 PolarHBondContact O-N 2.92Å; P74-L77 PolarHBondContact O-N 3.15Å; P74-L77 VanDerWaalsContact O-N 3.11Å |
| 75 | E | 93.1 | Very high | 92.5 | Very high | 153 Ų | 153 | 77.3 Ų | 77.3 | 72% | 0.715 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -68.6 | -16.5 | 176.1 | 67.1 | -147.2 | -172.7 | 0 | 0 | 114.2 | H73 L77 | H73-E75 HydrophobicContact CB-CG 3.91Å; H73-E75 PolarHBondContact O-N 3.4Å; H73-E75 VanDerWaalsContact O-N 3.12Å; E75-L77 VanDerWaalsContact C-N 3.3Å |
| 76 | Q | 93.8 | Very high | 92.2 | Very high | 33 Ų | 33 | 79.3 Ų | 79.3 | 15% | 0.154 | 43% | 0.426 | C | S | . | . | G | 310 helix | trans | -84.6 | -5.5 | 172.7 | -65.1 | 171.7 | -39.2 | 0 | 0 | 112.5 | P48 A50 F52 H73 P74 | P48-Q76 PolarHBondContact O-NE2 3.49Å; A50-Q76 WeakPolarHBondContact O-CB 3.37Å; A50-Q76 WeakPolarHBondContact O-CG 3.08Å; A50-Q76 PolarHBondContact O-NE2 3.05Å; F52-Q76 PolarHBondContact N-O 3.37Å; H73-Q76 HydrophobicContact CB-CG 4.04Å; H73-Q76 VanDerWaalsContact O-CB 3.3Å; H73-Q76 WeakPolarHBondContact O-CB 3.26Å; H73-Q76 PolarHBondContact O-N 3.38Å; P74-Q76 PolarHBondContact O-N 2.92Å |
| 77 | L | 95.4 | Very high | 91.7 | Very high | 10 Ų | 10 | 83.4 Ų | 83.4 | 5% | 0.052 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 89.2 | -177 | -59.4 | -175.9 | 0 | 0 | 0 | 109.7 | F52 I60 I63 R64 F72 P74 E75 | F52-L77 HydrophobicContact CB-CD2 3.84Å; F52-L77 HydrophobicContact CD2-CD2 3.64Å; F52-L77 HydrophobicContact CE2-CD2 4.48Å; F52-L77 HydrophobicContact CG-CD2 3.97Å; I60-L77 HydrophobicContact CG2-CB 3.71Å; I63-L77 HydrophobicContact CG2-CD1 4.28Å; I63-L77 HydrophobicContact CG2-CD2 4.29Å; R64-L77 HydrophobicContact CG-CD1 3.62Å; R64-L77 PolarHBondContact NH2-O 3.43Å; F72-L77 HydrophobicContact CB-CD1 4.39Å; F72-L77 HydrophobicContact CB-CD2 4.31Å; F72-L77 HydrophobicContact CB-CG 4.38Å; F72-L77 HydrophobicContact CG-CD2 4.47Å; P74-L77 PolarHBondContact O-N 3.15Å; P74-L77 VanDerWaalsContact O-N 3.11Å; E75-L77 VanDerWaalsContact C-N 3.3Å |
| 78 | I | 95.4 | Very high | 91.4 | Very high | 87 Ų | 87 | 89.7 Ų | 89.7 | 45% | 0.446 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 127.5 | -170 | -55.6 | 173.5 | 0 | 0 | 0 | 109.9 | V51 F52 V53 D54 | V51-I78 HydrophobicContact CG1-CD1 4.02Å; F52-I78 PolarHBondContact O-N 3.44Å; V53-I78 WeakPolarHBondContact CA-O 3.44Å; V53-I78 HydrophobicContact CG1-CB 4.47Å; V53-I78 HydrophobicContact CG1-CG2 4.47Å; V53-I78 HydrophobicContact CG2-CB 4.36Å; V53-I78 HydrophobicContact CG2-CD1 4.35Å; D54-I78 PolarHBondContact N-O 2.87Å |
| 79 | T | 95 | Very high | 90.2 | Very high | 47 Ų | 47 | 95.7 Ų | 95.7 | 29% | 0.288 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 134.9 | -178.5 | 49.8 | 0 | 0 | 0 | 0 | 111.7 | D54 P57 I60 R64 | D54-T79 CarbonylContact O-C 3.43Å; D54-T79 VanDerWaalsContact O-CA 3.23Å; D54-T79 WeakPolarHBondContact O-CA 3.44Å; P57-T79 HydrophobicContact CB-CG2 4.36Å; I60-T79 HydrophobicContact CB-CG2 3.32Å; I60-T79 HydrophobicContact CG1-CG2 3.48Å; I60-T79 VanDerWaalsContact CG1-CG2 3.48Å; I60-T79 HydrophobicContact CG2-CG2 3.57Å; R64-T79 PolarHBondContact NH2-OG1 3.24Å |
| 80 | G | 91.2 | Very high | 90 | Very high | 32 Ų | 32 | 93.4 Ų | 93.4 | 33% | 0.33 | 51% | 0.507 | S | S | . | . | trans | -81.4 | -168.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | D54 L55 | D54-G80 PolarHBondContact O-N 3.23Å; L55-G80 CarbonylContact O-C 3.55Å; L55-G80 WeakPolarHBondContact O-CA 3.48Å; L55-G80 PolarHBondContact O-N 2.84Å | ||
| 81 | K | 87.2 | Confident | 89.7 | Confident | 202 Ų | 202 | 93.3 Ų | 93.3 | 88% | 0.878 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -113.4 | -18.1 | 174.8 | -67.8 | -174.5 | -179.8 | -179.6 | 0 | 113.5 | L55 | L55-K81 PolarHBondContact O-N 3.49Š|
| 82 | E | 86.8 | Confident | 89.4 | Confident | 168 Ų | 168 | 98.5 Ų | 98.5 | 79% | 0.785 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -135.1 | 127.4 | -173.2 | -68.9 | -178.6 | -179.7 | 0 | 0 | 107.8 | L55 | L55-E82 WeakPolarHBondContact CB-O 3.47Å; L55-E82 CarbonylContact O-C 3.59Å; L55-E82 PolarHBondContact O-N 3.38Å; L55-E82 VanDerWaalsContact O-O 3.09Å |
| 83 | D | 86.1 | Confident | 89.1 | Confident | 91 Ų | 91 | 103.8 Ų | 103.8 | 49% | 0.487 | 57% | 0.569 | S | S | . | * | trans | -71.3 | 156.3 | 175.4 | 177.3 | 29.7 | 0 | 0 | 0 | 111.1 | E56 A85 | E56-D83 HydrophobicContact CB-CB 4.16Å; E56-D83 HydrophobicContact CG-CB 4.33Å; D83-A85 PolarHBondContact O-N 2.96Å; D83-A85 VanDerWaalsContact O-N 3.11Å; D83-A85 PolarHBondContact OD2-N 3.11Å | ||
| 84 | A | 85.3 | Confident | 88.8 | Confident | 41 Ų | 41 | 106.3 Ų | 106.3 | 34% | 0.339 | 59% | 0.586 | S | S | . | * | trans | -60.8 | -11.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L55 N86 N87 | L55-A84 HydrophobicContact CD1-CB 3.73Å; A84-N86 PolarHBondContact O-N 3.3Å; A84-N87 WeakPolarHBondContact O-CB 3.39Å; A84-N87 PolarHBondContact O-N 3.33Å | ||
| 85 | A | 88.9 | Confident | 88.5 | Confident | 77 Ų | 77 | 106.4 Ų | 106.4 | 64% | 0.636 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 55 | 38.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D83 N87 | D83-A85 PolarHBondContact O-N 2.96Å; D83-A85 VanDerWaalsContact O-N 3.11Å; D83-A85 PolarHBondContact OD2-N 3.11Å; A85-N87 PolarHBondContact O-N 3.06Å |
| 86 | N | 88 | Confident | 88.2 | Confident | 170 Ų | 170 | 103.1 Ų | 103.1 | 91% | 0.909 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 58.3 | 24.9 | -173.4 | -56.1 | -71.3 | 0 | 0 | 0 | 114.7 | A84 | A84-N86 PolarHBondContact O-N 3.3Š|
| 87 | N | 85.1 | Confident | 87.7 | Confident | 105 Ų | 105 | 108.5 Ų | 108.5 | 56% | 0.561 | 60% | 0.602 | S | S | * | * | trans | -104.3 | 138.5 | 175 | -170.1 | 4.5 | 0 | 0 | 0 | 111 | A84 A85 A89 | A84-N87 WeakPolarHBondContact O-CB 3.39Å; A84-N87 PolarHBondContact O-N 3.33Å; A85-N87 PolarHBondContact O-N 3.06Å; N87-A89 WeakPolarHBondContact OD1-CB 3.4Å; N87-A89 PolarHBondContact OD1-N 3.06Å; N87-A89 VanDerWaalsContact OD1-N 3.13Å | ||
| 88 | Y | 87.4 | Confident | 87.1 | Confident | 237 Ų | 237 | 116.7 Ų | 116.7 | 93% | 0.929 | 65% | 0.648 | S | S | * | * | trans | -91.3 | -16.6 | 178.5 | 178.5 | -99.7 | 0 | 0 | 0 | 113.7 | ||||
| 89 | A | 68.9 | Low | 86.3 | Confident | 143 Ų | 143 | 119.4 Ų | 119.4 | 100% | 1.182 | 67% | 0.666 | S | S | * | * | trans | -71.3 | 0 | -161.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | N87 | N87-A89 WeakPolarHBondContact OD1-CB 3.4Å; N87-A89 PolarHBondContact OD1-N 3.06Å; N87-A89 VanDerWaalsContact OD1-N 3.13Å |
Retrieved 89 of 89 residues in 122.3 ms
(Link to these results)