| 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 | 36.6 | Very low | 59.4 | Low | 241 Ų | 241 | 118.5 Ų | 118.5 | 100% | 1.187 | 66% | 0.658 | S | S | * | * | 0 | 98.9 | 0 | -63.6 | -145.4 | -177.8 | 0 | 0 | 108.2 | Q3 | M1-Q3 PolarHBondContact O-N 3.4Š| |||
| 2 | T | 43.4 | Very low | 60 | Low | 144 Ų | 144 | 120.3 Ų | 120.3 | 88% | 0.883 | 66% | 0.658 | S | S | * | * | trans | -83 | 101.1 | -178.5 | 44.1 | 0 | 0 | 0 | 0 | 109.1 | K4 | T2-K4 PolarHBondContact O-N 2.94Š| ||
| 3 | Q | 56.8 | Low | 60.7 | Low | 187 Ų | 187 | 128.2 Ų | 128.2 | 87% | 0.874 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 125.1 | 172.3 | -69.3 | -169.4 | -6.1 | 0 | 0 | 108.9 | M1 | M1-Q3 PolarHBondContact O-N 3.4Š|
| 4 | K | 61.3 | Low | 61 | Low | 193 Ų | 193 | 123.8 Ų | 123.8 | 84% | 0.839 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 137.4 | 174.8 | -83 | 177.3 | 173.5 | 176.2 | 0 | 109.2 | T2 L6 | T2-K4 PolarHBondContact O-N 2.94Å; K4-L6 PolarHBondContact O-N 2.63Å |
| 5 | P | 64.8 | Low | 62.4 | Low | 118 Ų | 118 | 123 Ų | 123 | 77% | 0.766 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 130.9 | 172.5 | 26 | -32.2 | 0 | 0 | 0 | 109.3 | S7 | P5-S7 PolarHBondContact O-N 3.4Š|
| 6 | L | 63.9 | Low | 63.7 | Low | 95 Ų | 95 | 123.6 Ų | 123.6 | 50% | 0.497 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -56.4 | 131.8 | 174.8 | -92.7 | 109 | 0 | 0 | 0 | 110.2 | K4 A10 M14 | K4-L6 PolarHBondContact O-N 2.63Å; L6-A10 HydrophobicContact CD2-CB 4.04Å; L6-M14 HydrophobicContact CD2-SD 4.09Å |
| 7 | S | 68.4 | Low | 65.1 | Low | 67 Ų | 67 | 121.4 Ų | 121.4 | 47% | 0.469 | 64% | 0.64 | S | S | . | * | P | Polyproline II helix | trans | -65.8 | 148.2 | 175.1 | 63.5 | 0 | 0 | 0 | 0 | 111.3 | P5 T9 A10 A11 | P5-S7 PolarHBondContact O-N 3.4Å; S7-T9 PolarHBondContact O-N 3.2Å; S7-T9 PolarHBondContact OG-OG1 3.02Å; S7-A10 WeakPolarHBondContact O-CB 3.48Å; S7-A10 PolarHBondContact O-N 2.66Å; S7-A11 PolarHBondContact O-N 3.29Å |
| 8 | T | 65.3 | Low | 66.1 | Low | 110 Ų | 110 | 116.1 Ų | 116.1 | 68% | 0.675 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -54.2 | -38.9 | -177.4 | -37.3 | 0 | 0 | 0 | 0 | 112.6 | A10 A11 E12 | T8-A10 VanDerWaalsContact C-N 3.32Å; T8-A10 PolarHBondContact O-N 2.91Å; T8-A11 WeakPolarHBondContact O-CB 3.24Å; T8-A11 PolarHBondContact O-N 3.37Å; T8-E12 PolarHBondContact O-N 3.28Å; T8-E12 VanDerWaalsContact O-N 3.16Å |
| 9 | T | 67.1 | Low | 67 | Low | 87 Ų | 87 | 113.4 Ų | 113.4 | 53% | 0.534 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.5 | -26.3 | 177.1 | 50.1 | 0 | 0 | 0 | 0 | 114.5 | S7 | S7-T9 PolarHBondContact O-N 3.2Å; S7-T9 PolarHBondContact OG-OG1 3.02Å |
| 10 | A | 64.3 | Low | 68.1 | Low | 35 Ų | 35 | 111.2 Ų | 111.2 | 29% | 0.289 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -79.8 | -34.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | L6 S7 T8 R13 M14 | L6-A10 HydrophobicContact CD2-CB 4.04Å; S7-A10 WeakPolarHBondContact O-CB 3.48Å; S7-A10 PolarHBondContact O-N 2.66Å; T8-A10 VanDerWaalsContact C-N 3.32Å; T8-A10 PolarHBondContact O-N 2.91Å; A10-R13 PolarHBondContact O-N 2.97Å; A10-M14 WeakPolarHBondContact O-CG 3.43Å |
| 11 | A | 61.9 | Low | 69.1 | Low | 27 Ų | 27 | 111.9 Ų | 111.9 | 22% | 0.223 | 59% | 0.588 | C | S | . | * | H | α-helix | trans | -65.1 | -41.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | S7 T8 R13 M14 Q19 | S7-A11 PolarHBondContact O-N 3.29Å; T8-A11 WeakPolarHBondContact O-CB 3.24Å; T8-A11 PolarHBondContact O-N 3.37Å; A11-R13 PolarHBondContact O-N 3.29Å; A11-M14 VanDerWaalsContact O-CB 3.31Å; A11-M14 WeakPolarHBondContact O-CB 3.47Å; A11-M14 PolarHBondContact O-N 2.86Å; A11-Q19 PolarHBondContact O-NE2 3.05Å |
| 12 | E | 65.9 | Low | 71.5 | Confident | 140 Ų | 140 | 102.8 Ų | 102.8 | 65% | 0.654 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -25.5 | 177.6 | -73 | 170.4 | -179.5 | 0 | 0 | 113.9 | T8 M14 | T8-E12 PolarHBondContact O-N 3.28Å; T8-E12 VanDerWaalsContact O-N 3.16Å; E12-M14 VanDerWaalsContact C-N 3.27Å |
| 13 | R | 69.7 | Low | 73.7 | Confident | 223 Ų | 223 | 103.1 Ų | 103.1 | 84% | 0.842 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -6.4 | 175.9 | -66.3 | 178 | 179.6 | 178.1 | -0.5 | 113.4 | A10 A11 | A10-R13 PolarHBondContact O-N 2.97Å; A11-R13 PolarHBondContact O-N 3.29Å |
| 14 | M | 65.2 | Low | 75.5 | Confident | 66 Ų | 66 | 99.3 Ų | 99.3 | 33% | 0.325 | 51% | 0.51 | S | S | . | . | S | Bend | trans | -92.3 | 153.4 | -177.8 | -59.7 | 179.8 | 65.6 | 0 | 0 | 111.7 | L6 A10 A11 E12 A18 Q19 I22 | L6-M14 HydrophobicContact CD2-SD 4.09Å; A10-M14 WeakPolarHBondContact O-CG 3.43Å; A11-M14 VanDerWaalsContact O-CB 3.31Å; A11-M14 WeakPolarHBondContact O-CB 3.47Å; A11-M14 PolarHBondContact O-N 2.86Å; E12-M14 VanDerWaalsContact C-N 3.27Å; M14-A18 HydrophobicContact CE-CB 3.93Å; M14-Q19 HydrophobicContact CB-CG 4.33Å; M14-I22 HydrophobicContact CE-CD1 3.57Å; M14-I22 HydrophobicContact SD-CD1 3.92Å |
| 15 | N | 81.8 | Confident | 77 | Confident | 112 Ų | 112 | 98.3 Ų | 98.3 | 60% | 0.599 | 50% | 0.502 | S | S | * | . | trans | -57.6 | 140.7 | 172.8 | -174.8 | -14.5 | 0 | 0 | 0 | 110.5 | V17 A18 Q19 | N15-V17 PolarHBondContact O-N 2.86Å; N15-V17 VanDerWaalsContact O-N 3.16Å; N15-V17 PolarHBondContact OD1-N 3.4Å; N15-A18 WeakPolarHBondContact O-CA 3.17Å; N15-A18 WeakPolarHBondContact O-CB 3.48Å; N15-A18 PolarHBondContact O-N 3.45Å; N15-Q19 PolarHBondContact O-N 3.3Å | ||
| 16 | L | 83.3 | Confident | 78.4 | Confident | 132 Ų | 132 | 98.2 Ų | 98.2 | 69% | 0.691 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -51.7 | -37.2 | 178.4 | -64.1 | 174.4 | 0 | 0 | 0 | 112.7 | Q19 D20 | L16-Q19 PolarHBondContact O-N 3.14Å; L16-D20 PolarHBondContact O-N 3.44Å |
| 17 | V | 86.5 | Confident | 79.9 | Confident | 87 Ų | 87 | 97.2 Ų | 97.2 | 53% | 0.527 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 176.5 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | N15 Q19 D20 E21 | N15-V17 PolarHBondContact O-N 2.86Å; N15-V17 VanDerWaalsContact O-N 3.16Å; N15-V17 PolarHBondContact OD1-N 3.4Å; V17-Q19 VanDerWaalsContact C-N 3.34Å; V17-Q19 PolarHBondContact O-N 3.17Å; V17-D20 PolarHBondContact O-N 3.43Å; V17-E21 WeakPolarHBondContact O-CG 3.44Å; V17-E21 PolarHBondContact O-N 3.39Å |
| 18 | A | 83.7 | Confident | 81.2 | Confident | 26 Ų | 26 | 100.6 Ų | 100.6 | 22% | 0.215 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -69.5 | -33.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | M14 N15 I22 | M14-A18 HydrophobicContact CE-CB 3.93Å; N15-A18 WeakPolarHBondContact O-CA 3.17Å; N15-A18 WeakPolarHBondContact O-CB 3.48Å; N15-A18 PolarHBondContact O-N 3.45Å; A18-I22 WeakPolarHBondContact O-CB 3.42Å; A18-I22 WeakPolarHBondContact O-CD1 3.2Å; A18-I22 VanDerWaalsContact O-CG1 3.23Å; A18-I22 WeakPolarHBondContact O-CG1 3.4Å; A18-I22 PolarHBondContact O-N 3.41Å |
| 19 | Q | 82.9 | Confident | 82.5 | Confident | 65 Ų | 65 | 97.2 Ų | 97.2 | 30% | 0.304 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 173.1 | -68 | 178.4 | -8 | 0 | 0 | 111.8 | A11 M14 N15 L16 V17 I22 W23 | A11-Q19 PolarHBondContact O-NE2 3.05Å; M14-Q19 HydrophobicContact CB-CG 4.33Å; N15-Q19 PolarHBondContact O-N 3.3Å; L16-Q19 PolarHBondContact O-N 3.14Å; V17-Q19 VanDerWaalsContact C-N 3.34Å; V17-Q19 PolarHBondContact O-N 3.17Å; Q19-I22 PolarHBondContact O-N 2.95Å; Q19-W23 WeakPolarHBondContact O-CB 3.41Å; Q19-W23 PolarHBondContact O-N 2.99Å |
| 20 | D | 89.1 | Confident | 83.8 | Confident | 69 Ų | 69 | 99.1 Ų | 99.1 | 37% | 0.369 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 177.3 | -177.8 | 55.5 | 0 | 0 | 0 | 111.9 | L16 V17 W23 K24 | L16-D20 PolarHBondContact O-N 3.44Å; V17-D20 PolarHBondContact O-N 3.43Å; D20-W23 PolarHBondContact O-N 3.19Å; D20-K24 WeakPolarHBondContact O-CB 3.36Å; D20-K24 WeakPolarHBondContact O-CG 3.5Å; D20-K24 PolarHBondContact O-N 3.38Å; D20-K24 IonicContact OD1-NZ 3.99Å; D20-K24 WeakPolarHBondContact OD2-CE 3.44Å; D20-K24 IonicContact OD2-NZ 4Å; D20-K24 PolarHBondContact OD2-NZ 2.88Å |
| 21 | E | 88.6 | Confident | 85.3 | Confident | 126 Ų | 126 | 103.8 Ų | 103.8 | 59% | 0.589 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.3 | -43 | 174.7 | -73.8 | -177.9 | 169.1 | 0 | 0 | 112.8 | V17 W23 K24 Y25 | V17-E21 WeakPolarHBondContact O-CG 3.44Å; V17-E21 PolarHBondContact O-N 3.39Å; E21-W23 VanDerWaalsContact C-N 3.31Å; E21-W23 PolarHBondContact O-N 2.88Å; E21-K24 PolarHBondContact O-N 3.38Å; E21-Y25 WeakPolarHBondContact O-CB 3.49Å; E21-Y25 PolarHBondContact O-N 3.41Å |
| 22 | I | 88.4 | Confident | 86.9 | Confident | 49 Ų | 49 | 107.9 Ų | 107.9 | 25% | 0.251 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 174.8 | -71.7 | 166.2 | 0 | 0 | 0 | 110.5 | M14 A18 Q19 Y25 R26 | M14-I22 HydrophobicContact CE-CD1 3.57Å; M14-I22 HydrophobicContact SD-CD1 3.92Å; A18-I22 WeakPolarHBondContact O-CB 3.42Å; A18-I22 WeakPolarHBondContact O-CD1 3.2Å; A18-I22 VanDerWaalsContact O-CG1 3.23Å; A18-I22 WeakPolarHBondContact O-CG1 3.4Å; A18-I22 PolarHBondContact O-N 3.41Å; Q19-I22 PolarHBondContact O-N 2.95Å; I22-Y25 PolarHBondContact O-N 2.88Å; I22-R26 WeakPolarHBondContact O-CG 3.18Å; I22-R26 PolarHBondContact O-N 2.79Å |
| 23 | W | 89.4 | Confident | 88.1 | Confident | 151 Ų | 151 | 104.1 Ų | 104.1 | 57% | 0.572 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -63.6 | -45.9 | 178.9 | -174.7 | 74.3 | 0 | 0 | 0 | 111.6 | Q19 D20 E21 Y25 R26 L27 | Q19-W23 WeakPolarHBondContact O-CB 3.41Å; Q19-W23 PolarHBondContact O-N 2.99Å; D20-W23 PolarHBondContact O-N 3.19Å; E21-W23 VanDerWaalsContact C-N 3.31Å; E21-W23 PolarHBondContact O-N 2.88Å; W23-Y25 VanDerWaalsContact C-N 3.3Å; W23-Y25 PolarHBondContact O-N 3.11Å; W23-R26 PolarHBondContact O-N 3.39Å; W23-L27 HydrophobicContact CD2-CD1 3.91Å; W23-L27 HydrophobicContact CD2-CG 4.41Å; W23-L27 HydrophobicContact CE3-CD1 3.8Å; W23-L27 HydrophobicContact CH2-CD1 3.43Å; W23-L27 VanDerWaalsContact CH2-CD1 3.43Å; W23-L27 HydrophobicContact CZ2-CD1 3.53Å; W23-L27 HydrophobicContact CZ2-CG 4.3Å; W23-L27 HydrophobicContact CZ3-CD1 3.56Å; W23-L27 PolarHBondContact O-N 2.97Å |
| 24 | K | 93.9 | Very high | 89.1 | Confident | 108 Ų | 108 | 100.3 Ų | 100.3 | 47% | 0.47 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -57.7 | -41.8 | 173.4 | -75.6 | 168.5 | 176 | 164.1 | 0 | 112.4 | D20 E21 K28 | D20-K24 WeakPolarHBondContact O-CB 3.36Å; D20-K24 WeakPolarHBondContact O-CG 3.5Å; D20-K24 PolarHBondContact O-N 3.38Å; D20-K24 IonicContact OD1-NZ 3.99Å; D20-K24 WeakPolarHBondContact OD2-CE 3.44Å; D20-K24 IonicContact OD2-NZ 4Å; D20-K24 PolarHBondContact OD2-NZ 2.88Å; E21-K24 PolarHBondContact O-N 3.38Å; K24-K28 WeakPolarHBondContact O-CG 3.19Å; K24-K28 PolarHBondContact O-N 3.09Å; K24-K28 VanDerWaalsContact O-N 3.14Å |
| 25 | Y | 93.8 | Very high | 90.5 | Very high | 172 Ų | 172 | 102.5 Ų | 102.5 | 68% | 0.675 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.3 | -43.4 | 177.2 | 178.6 | -99.1 | 0 | 0 | 0 | 112.1 | E21 I22 W23 K28 A29 | E21-Y25 WeakPolarHBondContact O-CB 3.49Å; E21-Y25 PolarHBondContact O-N 3.41Å; I22-Y25 PolarHBondContact O-N 2.88Å; W23-Y25 VanDerWaalsContact C-N 3.3Å; W23-Y25 PolarHBondContact O-N 3.11Å; Y25-K28 PolarHBondContact O-N 2.84Å; Y25-A29 PolarHBondContact O-N 3.2Å |
| 26 | R | 93.4 | Very high | 91 | Very high | 116 Ų | 116 | 100.5 Ų | 100.5 | 44% | 0.438 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62 | -45.4 | 177.8 | -71.8 | 175.4 | -174.1 | -168.4 | 2.3 | 112 | I22 W23 K28 A29 E30 | I22-R26 WeakPolarHBondContact O-CG 3.18Å; I22-R26 PolarHBondContact O-N 2.79Å; W23-R26 PolarHBondContact O-N 3.39Å; R26-K28 VanDerWaalsContact C-N 3.31Å; R26-K28 PolarHBondContact O-N 3.46Å; R26-A29 PolarHBondContact O-N 2.93Å; R26-E30 WeakPolarHBondContact O-CG 3.35Å; R26-E30 PolarHBondContact O-N 3.36Å |
| 27 | L | 95.1 | Very high | 91.5 | Very high | 74 Ų | 74 | 99.9 Ų | 99.9 | 39% | 0.387 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.5 | -42 | 176.5 | -74.4 | 178.7 | 0 | 0 | 0 | 112.5 | W23 E30 Y31 | W23-L27 HydrophobicContact CD2-CD1 3.91Å; W23-L27 HydrophobicContact CD2-CG 4.41Å; W23-L27 HydrophobicContact CE3-CD1 3.8Å; W23-L27 HydrophobicContact CH2-CD1 3.43Å; W23-L27 VanDerWaalsContact CH2-CD1 3.43Å; W23-L27 HydrophobicContact CZ2-CD1 3.53Å; W23-L27 HydrophobicContact CZ2-CG 4.3Å; W23-L27 HydrophobicContact CZ3-CD1 3.56Å; W23-L27 PolarHBondContact O-N 2.97Å; L27-E30 PolarHBondContact O-N 3Å; L27-Y31 WeakPolarHBondContact O-CB 3.26Å; L27-Y31 PolarHBondContact O-N 3.24Å |
| 28 | K | 95.2 | Very high | 91.7 | Very high | 138 Ų | 138 | 99.4 Ų | 99.4 | 60% | 0.6 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.5 | -45.7 | 174.7 | -73.5 | 178.9 | 179.7 | -176.7 | 0 | 111.7 | K24 Y25 R26 E30 Y31 E32 | K24-K28 WeakPolarHBondContact O-CG 3.19Å; K24-K28 PolarHBondContact O-N 3.09Å; K24-K28 VanDerWaalsContact O-N 3.14Å; Y25-K28 PolarHBondContact O-N 2.84Å; R26-K28 VanDerWaalsContact C-N 3.31Å; R26-K28 PolarHBondContact O-N 3.46Å; K28-E30 VanDerWaalsContact C-N 3.33Å; K28-E30 PolarHBondContact O-N 3.34Å; K28-Y31 PolarHBondContact O-N 3.14Å; K28-E32 WeakPolarHBondContact O-CB 3.47Å; K28-E32 WeakPolarHBondContact O-CG 3.49Å; K28-E32 PolarHBondContact O-N 3.18Å |
| 29 | A | 93.3 | Very high | 91.9 | Very high | 38 Ų | 38 | 104 Ų | 104 | 31% | 0.314 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.6 | -38.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y25 R26 A33 | Y25-A29 PolarHBondContact O-N 3.2Å; R26-A29 PolarHBondContact O-N 2.93Å; A29-A33 WeakPolarHBondContact O-CB 3.41Å; A29-A33 PolarHBondContact O-N 3.11Å |
| 30 | E | 94.3 | Very high | 92.2 | Very high | 128 Ų | 128 | 107.2 Ų | 107.2 | 60% | 0.598 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.5 | -45.5 | 174 | -75.9 | 177.3 | -171.5 | 0 | 0 | 111.6 | R26 L27 K28 A33 Q34 | R26-E30 WeakPolarHBondContact O-CG 3.35Å; R26-E30 PolarHBondContact O-N 3.36Å; L27-E30 PolarHBondContact O-N 3Å; K28-E30 VanDerWaalsContact C-N 3.33Å; K28-E30 PolarHBondContact O-N 3.34Å; E30-A33 PolarHBondContact O-N 3.4Å; E30-Q34 WeakPolarHBondContact O-CB 3.45Å; E30-Q34 PolarHBondContact O-N 2.77Å |
| 31 | Y | 95.8 | Very high | 92.2 | Very high | 133 Ų | 133 | 110 Ų | 110 | 52% | 0.522 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.4 | -48.7 | 177.1 | -176.1 | -93.2 | 0 | 0 | 0 | 111.8 | L27 K28 A33 Q34 E35 | L27-Y31 WeakPolarHBondContact O-CB 3.26Å; L27-Y31 PolarHBondContact O-N 3.24Å; K28-Y31 PolarHBondContact O-N 3.14Å; Y31-A33 VanDerWaalsContact C-N 3.31Å; Y31-A33 PolarHBondContact O-N 3.08Å; Y31-Q34 WeakPolarHBondContact O-CB 3.47Å; Y31-Q34 PolarHBondContact O-N 3.32Å; Y31-E35 HydrophobicContact CD1-CG 4.34Å; Y31-E35 HydrophobicContact CE1-CG 3.86Å; Y31-E35 WeakPolarHBondContact CE1-OE1 3.08Å; Y31-E35 WeakPolarHBondContact CE1-OE2 3.36Å; Y31-E35 PolarHBondContact O-N 3.04Å; Y31-E35 PolarHBondContact OH-OE1 3.43Å |
| 32 | E | 95.4 | Very high | 92.1 | Very high | 113 Ų | 113 | 104.7 Ų | 104.7 | 53% | 0.528 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -38.8 | 175.7 | -73.2 | 174.6 | -167.8 | 0 | 0 | 112 | K28 N36 | K28-E32 WeakPolarHBondContact O-CB 3.47Å; K28-E32 WeakPolarHBondContact O-CG 3.49Å; K28-E32 PolarHBondContact O-N 3.18Å; E32-N36 VanDerWaalsContact O-CB 3.26Å; E32-N36 WeakPolarHBondContact O-CB 3.4Å; E32-N36 PolarHBondContact O-N 3.41Å; E32-N36 PolarHBondContact O-ND2 3.04Å |
| 33 | A | 91.7 | Very high | 91.8 | Very high | 60 Ų | 60 | 107.4 Ų | 107.4 | 50% | 0.496 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.3 | -44.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | A29 E30 Y31 N36 W37 | A29-A33 WeakPolarHBondContact O-CB 3.41Å; A29-A33 PolarHBondContact O-N 3.11Å; E30-A33 PolarHBondContact O-N 3.4Å; Y31-A33 VanDerWaalsContact C-N 3.31Å; Y31-A33 PolarHBondContact O-N 3.08Å; A33-N36 PolarHBondContact O-N 3.18Å; A33-W37 WeakPolarHBondContact O-CA 3.45Å; A33-W37 WeakPolarHBondContact O-CB 3.46Å; A33-W37 PolarHBondContact O-N 2.74Å |
| 34 | Q | 90.8 | Very high | 91.6 | Very high | 144 Ų | 144 | 105.5 Ų | 105.5 | 67% | 0.673 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.4 | -45.9 | 177.7 | -175.5 | -178.2 | 1.7 | 0 | 0 | 112 | E30 Y31 W37 P38 | E30-Q34 WeakPolarHBondContact O-CB 3.45Å; E30-Q34 PolarHBondContact O-N 2.77Å; Y31-Q34 WeakPolarHBondContact O-CB 3.47Å; Y31-Q34 PolarHBondContact O-N 3.32Å; Q34-W37 PolarHBondContact O-N 3.5Å; Q34-P38 VanDerWaalsContact O-CD 3.24Å; Q34-P38 WeakPolarHBondContact O-CD 3.36Å |
| 35 | E | 93.9 | Very high | 91.2 | Very high | 111 Ų | 111 | 106.1 Ų | 106.1 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.5 | -39.4 | 177.9 | -73.4 | -166.7 | 148 | 0 | 0 | 112.4 | Y31 W37 P38 | Y31-E35 HydrophobicContact CD1-CG 4.34Å; Y31-E35 HydrophobicContact CE1-CG 3.86Å; Y31-E35 WeakPolarHBondContact CE1-OE1 3.08Å; Y31-E35 WeakPolarHBondContact CE1-OE2 3.36Å; Y31-E35 PolarHBondContact O-N 3.04Å; Y31-E35 PolarHBondContact OH-OE1 3.43Å; E35-W37 VanDerWaalsContact C-N 3.34Å; E35-P38 WeakPolarHBondContact O-CD 3.23Å |
| 36 | N | 92.8 | Very high | 90.7 | Very high | 71 Ų | 71 | 100.6 Ų | 100.6 | 38% | 0.38 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -81.2 | -13.6 | -179.7 | -72.4 | -60.6 | 0 | 0 | 0 | 113.6 | E32 A33 T39 K40 | E32-N36 VanDerWaalsContact O-CB 3.26Å; E32-N36 WeakPolarHBondContact O-CB 3.4Å; E32-N36 PolarHBondContact O-N 3.41Å; E32-N36 PolarHBondContact O-ND2 3.04Å; A33-N36 PolarHBondContact O-N 3.18Å; N36-T39 PolarHBondContact O-N 3.29Å; N36-K40 HydrophobicContact CB-CD 4.41Å; N36-K40 WeakPolarHBondContact O-CB 3.5Å; N36-K40 PolarHBondContact O-N 2.92Å |
| 37 | W | 92.9 | Very high | 90.1 | Very high | 118 Ų | 118 | 97.8 Ų | 97.8 | 45% | 0.447 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.4 | -46.6 | -173.8 | -171.7 | 90.7 | 0 | 0 | 0 | 112.9 | A33 Q34 E35 T39 K40 W41 G42 I45 | A33-W37 WeakPolarHBondContact O-CA 3.45Å; A33-W37 WeakPolarHBondContact O-CB 3.46Å; A33-W37 PolarHBondContact O-N 2.74Å; Q34-W37 PolarHBondContact O-N 3.5Å; E35-W37 VanDerWaalsContact C-N 3.34Å; W37-T39 VanDerWaalsContact C-N 3.31Å; W37-T39 PolarHBondContact O-N 3.16Å; W37-K40 PolarHBondContact O-N 2.93Å; W37-W41 AromaticContact CD1-CD1 3.56Å; W37-W41 HydrophobicContact CD2-CB 4.25Å; W37-W41 HydrophobicContact CG-CB 4.35Å; W37-W41 HydrophobicContact CZ2-CB 4.39Å; W37-W41 AromaticContact NE1-CD1 3.91Å; W37-W41 WeakPolarHBondContact O-CA 3.5Å; W37-W41 WeakPolarHBondContact O-CB 3.3Å; W37-W41 PolarHBondContact O-N 3.03Å; W37-G42 PolarHBondContact O-N 3.47Å; W37-I45 HydrophobicContact CH2-CD1 3.66Å; W37-I45 HydrophobicContact CH2-CG1 3.88Å; W37-I45 HydrophobicContact CZ3-CD1 3.43Å; W37-I45 VanDerWaalsContact CZ3-CD1 3.43Å; W37-I45 HydrophobicContact CZ3-CG1 4.18Å |
| 38 | P | 90.8 | Very high | 89 | Confident | 77 Ų | 77 | 101.1 Ų | 101.1 | 50% | 0.5 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.3 | -38.5 | 176.4 | -23.7 | 34.2 | 0 | 0 | 0 | 113.1 | Q34 E35 G42 | Q34-P38 VanDerWaalsContact O-CD 3.24Å; Q34-P38 WeakPolarHBondContact O-CD 3.36Å; E35-P38 WeakPolarHBondContact O-CD 3.23Å; P38-G42 WeakPolarHBondContact O-CA 3.33Å; P38-G42 PolarHBondContact O-N 3.3Å |
| 39 | T | 89.2 | Confident | 88.1 | Confident | 123 Ų | 123 | 102 Ų | 102 | 76% | 0.755 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70.8 | -42.5 | 180 | -51.7 | 0 | 0 | 0 | 0 | 111.9 | N36 W37 | N36-T39 PolarHBondContact O-N 3.29Å; W37-T39 VanDerWaalsContact C-N 3.31Å; W37-T39 PolarHBondContact O-N 3.16Å |
| 40 | K | 88.8 | Confident | 87.3 | Confident | 132 Ų | 132 | 106.9 Ų | 106.9 | 57% | 0.574 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -84.1 | -29.9 | -177 | -69.5 | -178.1 | -179 | 175.9 | 0 | 113.6 | N36 W37 F43 | N36-K40 HydrophobicContact CB-CD 4.41Å; N36-K40 WeakPolarHBondContact O-CB 3.5Å; N36-K40 PolarHBondContact O-N 2.92Å; W37-K40 PolarHBondContact O-N 2.93Å; K40-F43 WeakPolarHBondContact O-CE1 3.16Å |
| 41 | W | 89.3 | Confident | 86.3 | Confident | 127 Ų | 127 | 104.7 Ų | 104.7 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -132.3 | 1.7 | -168.6 | -58.4 | 108 | 0 | 0 | 0 | 113.7 | W37 F43 L44 | W37-W41 AromaticContact CD1-CD1 3.56Å; W37-W41 HydrophobicContact CD2-CB 4.25Å; W37-W41 HydrophobicContact CG-CB 4.35Å; W37-W41 HydrophobicContact CZ2-CB 4.39Å; W37-W41 AromaticContact NE1-CD1 3.91Å; W37-W41 WeakPolarHBondContact O-CA 3.5Å; W37-W41 WeakPolarHBondContact O-CB 3.3Å; W37-W41 PolarHBondContact O-N 3.03Å; W41-F43 HydrophobicContact CE3-CE1 4.05Å; W41-F43 AromaticContact CE3-CZ 3.85Å; W41-F43 HydrophobicContact CE3-CZ 3.85Å; W41-F43 HydrophobicContact CZ3-CZ 4.16Å; W41-F43 PolarHBondContact O-N 2.98Å; W41-F43 VanDerWaalsContact O-N 3.09Å; W41-L44 HydrophobicContact CB-CD1 4.22Å; W41-L44 HydrophobicContact CD2-CD1 4.5Å; W41-L44 HydrophobicContact CE3-CD1 3.83Å; W41-L44 HydrophobicContact CE3-CG 4.47Å; W41-L44 VanDerWaalsContact O-CB 3.3Å; W41-L44 WeakPolarHBondContact O-CB 3.49Å; W41-L44 PolarHBondContact O-N 3.36Å |
| 42 | G | 85.4 | Confident | 85.3 | Confident | 15 Ų | 15 | 102.6 Ų | 102.6 | 16% | 0.155 | 52% | 0.518 | C | S | . | . | G | 310 helix | trans | -59.5 | -23.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | W37 P38 L44 I45 T46 | W37-G42 PolarHBondContact O-N 3.47Å; P38-G42 WeakPolarHBondContact O-CA 3.33Å; P38-G42 PolarHBondContact O-N 3.3Å; G42-L44 PolarHBondContact O-N 3.03Å; G42-I45 WeakPolarHBondContact O-CB 3.43Å; G42-I45 PolarHBondContact O-N 3.03Å; G42-T46 PolarHBondContact O-N 2.95Å; G42-T46 PolarHBondContact O-OG1 2.79Å |
| 43 | F | 83.8 | Confident | 84.1 | Confident | 106 Ų | 106 | 104.5 Ų | 104.5 | 47% | 0.465 | 53% | 0.526 | S | S | . | . | G | 310 helix | trans | -61.2 | -22.9 | 172.6 | 70.5 | -98.3 | 0 | 0 | 0 | 113.4 | K40 W41 I45 T46 L51 | K40-F43 WeakPolarHBondContact O-CE1 3.16Å; W41-F43 HydrophobicContact CE3-CE1 4.05Å; W41-F43 AromaticContact CE3-CZ 3.85Å; W41-F43 HydrophobicContact CE3-CZ 3.85Å; W41-F43 HydrophobicContact CZ3-CZ 4.16Å; W41-F43 PolarHBondContact O-N 2.98Å; W41-F43 VanDerWaalsContact O-N 3.09Å; F43-I45 PolarHBondContact O-N 3.34Å; F43-T46 PolarHBondContact O-N 2.87Å; F43-L51 HydrophobicContact CB-CD2 4.45Å |
| 44 | L | 84.9 | Confident | 82.8 | Confident | 112 Ų | 112 | 105.1 Ų | 105.1 | 59% | 0.586 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -71 | -21.2 | 175.7 | -65.1 | 176.9 | 0 | 0 | 0 | 112.7 | W41 G42 | W41-L44 HydrophobicContact CB-CD1 4.22Å; W41-L44 HydrophobicContact CD2-CD1 4.5Å; W41-L44 HydrophobicContact CE3-CD1 3.83Å; W41-L44 HydrophobicContact CE3-CG 4.47Å; W41-L44 VanDerWaalsContact O-CB 3.3Å; W41-L44 WeakPolarHBondContact O-CB 3.49Å; W41-L44 PolarHBondContact O-N 3.36Å; G42-L44 PolarHBondContact O-N 3.03Å |
| 45 | I | 84.1 | Confident | 81.4 | Confident | 120 Ų | 120 | 105.9 Ų | 105.9 | 62% | 0.615 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -29.3 | 177 | -49.9 | 170.8 | 0 | 0 | 0 | 110.1 | W37 G42 F43 | W37-I45 HydrophobicContact CH2-CD1 3.66Å; W37-I45 HydrophobicContact CH2-CG1 3.88Å; W37-I45 HydrophobicContact CZ3-CD1 3.43Å; W37-I45 VanDerWaalsContact CZ3-CD1 3.43Å; W37-I45 HydrophobicContact CZ3-CG1 4.18Å; G42-I45 WeakPolarHBondContact O-CB 3.43Å; G42-I45 PolarHBondContact O-N 3.03Å; F43-I45 PolarHBondContact O-N 3.34Å |
| 46 | T | 83.4 | Confident | 79.7 | Confident | 57 Ų | 57 | 108.4 Ų | 108.4 | 35% | 0.35 | 55% | 0.554 | S | S | . | * | S | Bend | trans | -71.7 | 133.3 | -178.9 | -52.8 | 0 | 0 | 0 | 0 | 110.8 | G42 F43 K50 L51 | G42-T46 PolarHBondContact O-N 2.95Å; G42-T46 PolarHBondContact O-OG1 2.79Å; F43-T46 PolarHBondContact O-N 2.87Å; T46-K50 HydrophobicContact CG2-CB 3.67Å; T46-K50 HydrophobicContact CG2-CD 4.38Å; T46-L51 HydrophobicContact CG2-CD2 3.85Å; T46-L51 HydrophobicContact CG2-CG 4.01Å |
| 47 | S | 80.3 | Confident | 78.3 | Confident | 57 Ų | 57 | 113.1 Ų | 113.1 | 40% | 0.399 | 57% | 0.574 | S | S | . | * | trans | -63.4 | 141.7 | 173.6 | 52.5 | 0 | 0 | 0 | 0 | 110.9 | E49 K50 L51 | S47-E49 PolarHBondContact O-N 3.18Å; S47-E49 VanDerWaalsContact O-N 3.11Å; S47-K50 PolarHBondContact O-N 2.65Å; S47-L51 PolarHBondContact O-N 3.16Å | ||
| 48 | M | 72.8 | Confident | 77 | Confident | 143 Ų | 143 | 112.9 Ų | 112.9 | 70% | 0.704 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -54.1 | -36.1 | -177.5 | -168.8 | 160 | -160 | 0 | 0 | 113.1 | K50 L51 L52 | M48-K50 VanDerWaalsContact C-N 3.34Å; M48-K50 PolarHBondContact O-N 3.23Å; M48-L51 WeakPolarHBondContact O-CB 3.4Å; M48-L51 PolarHBondContact O-N 3.2Å; M48-L52 HydrophobicContact CG-CD1 4.09Å; M48-L52 WeakPolarHBondContact O-CG 3.31Å; M48-L52 PolarHBondContact O-N 3.21Å; M48-L52 VanDerWaalsContact O-N 3.14Å |
| 49 | E | 75.9 | Confident | 75.5 | Confident | 158 Ų | 158 | 116.5 Ų | 116.5 | 74% | 0.738 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -58.4 | -42.3 | 176.4 | -63.3 | 172.9 | 179.7 | 0 | 0 | 112.7 | S47 L51 L52 E53 | S47-E49 PolarHBondContact O-N 3.18Å; S47-E49 VanDerWaalsContact O-N 3.11Å; E49-L51 VanDerWaalsContact C-N 3.3Å; E49-L51 PolarHBondContact O-N 3.37Å; E49-L52 PolarHBondContact O-N 2.97Å; E49-E53 PolarHBondContact O-N 3.39Å |
| 50 | K | 76.8 | Confident | 74.4 | Confident | 140 Ų | 140 | 115.9 Ų | 115.9 | 61% | 0.609 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -72.1 | -24.8 | 179 | -78.3 | -177.3 | 178.5 | 176.3 | 0 | 113 | T46 S47 M48 | T46-K50 HydrophobicContact CG2-CB 3.67Å; T46-K50 HydrophobicContact CG2-CD 4.38Å; S47-K50 PolarHBondContact O-N 2.65Å; M48-K50 VanDerWaalsContact C-N 3.34Å; M48-K50 PolarHBondContact O-N 3.23Å |
| 51 | L | 73.8 | Confident | 73.5 | Confident | 82 Ų | 82 | 115.4 Ų | 115.4 | 43% | 0.429 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -74 | -34.6 | 173.9 | -63.5 | 176.2 | 0 | 0 | 0 | 110.9 | F43 T46 S47 M48 E49 | F43-L51 HydrophobicContact CB-CD2 4.45Å; T46-L51 HydrophobicContact CG2-CD2 3.85Å; T46-L51 HydrophobicContact CG2-CG 4.01Å; S47-L51 PolarHBondContact O-N 3.16Å; M48-L51 WeakPolarHBondContact O-CB 3.4Å; M48-L51 PolarHBondContact O-N 3.2Å; E49-L51 VanDerWaalsContact C-N 3.3Å; E49-L51 PolarHBondContact O-N 3.37Å |
| 52 | L | 74 | Confident | 72.9 | Confident | 89 Ų | 89 | 117.1 Ų | 117.1 | 47% | 0.466 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -80.6 | -27 | -179 | -67.6 | 168.2 | 0 | 0 | 0 | 113.2 | M48 E49 G54 E55 E56 | M48-L52 HydrophobicContact CG-CD1 4.09Å; M48-L52 WeakPolarHBondContact O-CG 3.31Å; M48-L52 PolarHBondContact O-N 3.21Å; M48-L52 VanDerWaalsContact O-N 3.14Å; E49-L52 PolarHBondContact O-N 2.97Å; L52-G54 PolarHBondContact O-N 2.89Å; L52-G54 VanDerWaalsContact O-N 3.08Å; L52-E55 PolarHBondContact O-N 3.29Å; L52-E55 VanDerWaalsContact O-N 3.11Å; L52-E56 PolarHBondContact O-N 3.34Å |
| 53 | E | 70.4 | Confident | 72.3 | Confident | 152 Ų | 152 | 121.6 Ų | 121.6 | 71% | 0.71 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -18.3 | -178.2 | -161.8 | 167.9 | -158.1 | 0 | 0 | 114 | E49 | E49-E53 PolarHBondContact O-N 3.39Š|
| 54 | G | 64.3 | Low | 71.8 | Confident | 73 Ų | 73 | 126.3 Ų | 126.3 | 75% | 0.753 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | -13.6 | 176 | 0 | 0 | 0 | 0 | 0 | 115.6 | L52 | L52-G54 PolarHBondContact O-N 2.89Å; L52-G54 VanDerWaalsContact O-N 3.08Å |
| 55 | E | 61.1 | Low | 71.5 | Confident | 160 Ų | 160 | 128.1 Ų | 128.1 | 75% | 0.748 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | -7.1 | -179.8 | -77.1 | -170.8 | 177 | 0 | 0 | 113.2 | L52 E57 | L52-E55 PolarHBondContact O-N 3.29Å; L52-E55 VanDerWaalsContact O-N 3.11Å; E55-E57 PolarHBondContact O-N 2.93Å |
| 56 | E | 58.7 | Low | 71.4 | Confident | 164 Ų | 164 | 130.2 Ų | 130.2 | 77% | 0.766 | 68% | 0.677 | S | S | * | * | trans | -69.1 | 73.9 | 166.6 | -91.9 | -170.7 | 156.5 | 0 | 0 | 110.2 | L52 | L52-E56 PolarHBondContact O-N 3.34Š| ||
| 57 | E | 64.4 | Low | 71.4 | Confident | 170 Ų | 170 | 132 Ų | 132 | 79% | 0.794 | 68% | 0.684 | S | S | * | * | trans | -55.6 | 132.4 | 151.9 | -72 | -153.6 | 165.2 | 0 | 0 | 107.4 | E55 H59 | E55-E57 PolarHBondContact O-N 2.93Å; E57-H59 PolarHBondContact O-N 3.36Å | ||
| 58 | P | 63.8 | Low | 71.8 | Confident | 113 Ų | 113 | 132 Ų | 132 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | trans | -55 | 114.7 | -179.9 | 22.7 | -32.3 | 0 | 0 | 0 | 107 | T60 | P58-T60 VanDerWaalsContact C-N 3.26Å; P58-T60 PolarHBondContact O-N 3.4Å | ||
| 59 | H | 60 | Low | 72.2 | Confident | 153 Ų | 153 | 129.7 Ų | 129.7 | 71% | 0.708 | 68% | 0.681 | S | S | * | * | trans | -57.2 | 93.3 | -171.6 | -161.9 | -50.2 | 0 | 0 | 0 | 108.1 | E57 | E57-H59 PolarHBondContact O-N 3.36Š| ||
| 60 | T | 65.4 | Low | 72.6 | Confident | 111 Ų | 111 | 128.8 Ų | 128.8 | 68% | 0.681 | 68% | 0.676 | S | S | * | * | trans | -60 | 129.7 | -179.2 | 51.1 | 0 | 0 | 0 | 0 | 105.7 | P58 K62 | P58-T60 VanDerWaalsContact C-N 3.26Å; P58-T60 PolarHBondContact O-N 3.4Å; T60-K62 PolarHBondContact O-N 3.35Å | ||
| 61 | P | 71.6 | Confident | 72.8 | Confident | 122 Ų | 122 | 128.4 Ų | 128.4 | 79% | 0.792 | 68% | 0.675 | S | S | * | * | trans | -60.1 | 113.3 | -179 | 21.8 | -30.4 | 0 | 0 | 0 | 106.8 | ||||
| 62 | K | 75 | Confident | 73.3 | Confident | 163 Ų | 163 | 131.7 Ų | 131.7 | 71% | 0.709 | 68% | 0.682 | S | S | * | * | trans | -49.7 | 128.4 | -180 | -70.1 | 176.8 | 179.2 | 172.1 | 0 | 107.7 | T60 K64 | T60-K62 PolarHBondContact O-N 3.35Å; K62-K64 PolarHBondContact O-N 3.21Å | ||
| 63 | P | 73.8 | Confident | 73.8 | Confident | 109 Ų | 109 | 134.1 Ų | 134.1 | 71% | 0.708 | 70% | 0.699 | S | S | * | * | trans | -56.7 | 129.2 | 179.9 | 22.2 | -31.7 | 0 | 0 | 0 | 108.5 | I65 | P63-I65 VanDerWaalsContact C-N 3.28Å; P63-I65 PolarHBondContact O-N 2.84Å | ||
| 64 | K | 73.6 | Confident | 74.3 | Confident | 205 Ų | 205 | 137.5 Ų | 137.5 | 89% | 0.891 | 71% | 0.706 | S | S | * | * | trans | -69.2 | 90.2 | 177.8 | -68.4 | 178.1 | -177.4 | 176 | 0 | 108.1 | K62 E66 | K62-K64 PolarHBondContact O-N 3.21Å; K64-E66 PolarHBondContact O-N 3.33Å | ||
| 65 | I | 78.8 | Confident | 75 | Confident | 149 Ų | 149 | 140 Ų | 140 | 76% | 0.764 | 71% | 0.708 | S | S | * | * | trans | -69.9 | 112.4 | 172.8 | -65.2 | 162.3 | 0 | 0 | 0 | 106.8 | P63 L67 | P63-I65 VanDerWaalsContact C-N 3.28Å; P63-I65 PolarHBondContact O-N 2.84Å; I65-L67 PolarHBondContact O-N 3.24Å | ||
| 66 | E | 81.6 | Confident | 75.9 | Confident | 164 Ų | 164 | 137.9 Ų | 137.9 | 77% | 0.766 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 122.6 | 173.6 | -65.6 | -169.9 | 174.8 | 0 | 0 | 109.6 | K64 P68 | K64-E66 PolarHBondContact O-N 3.33Å; E66-P68 VanDerWaalsContact O-CD 3.3Å; E66-P68 WeakPolarHBondContact O-CD 3.3Å |
| 67 | L | 82.3 | Confident | 76.8 | Confident | 95 Ų | 95 | 134.2 Ų | 134.2 | 50% | 0.497 | 70% | 0.699 | S | S | . | * | P | Polyproline II helix | trans | -66.7 | 121.4 | -178.8 | -169.2 | 72.2 | 0 | 0 | 0 | 109.9 | I65 F71 R72 | I65-L67 PolarHBondContact O-N 3.24Å; L67-F71 HydrophobicContact CD1-CB 3.79Å; L67-F71 HydrophobicContact CD1-CG 4.49Å; L67-F71 HydrophobicContact CD2-CB 4.06Å; L67-F71 HydrophobicContact CG-CB 3.78Å; L67-R72 HydrophobicContact CD2-CG 4.26Å; L67-R72 PolarHBondContact O-NE 3.21Å; L67-R72 VanDerWaalsContact O-NE 3.08Å; L67-R72 PolarHBondContact O-NH2 3Å |
| 68 | P | 89.4 | Confident | 77.7 | Confident | 57 Ų | 57 | 129.3 Ų | 129.3 | 37% | 0.37 | 68% | 0.682 | S | S | . | * | P | Polyproline II helix | trans | -56.1 | 148.7 | 178.1 | -24.7 | 32.8 | 0 | 0 | 0 | 112.3 | E66 H70 F71 | E66-P68 VanDerWaalsContact O-CD 3.3Å; E66-P68 WeakPolarHBondContact O-CD 3.3Å; P68-H70 VanDerWaalsContact CB-CE1 3.43Å; P68-H70 WeakPolarHBondContact CB-CE1 3.46Å; P68-H70 PolarHBondContact O-N 3.08Å; P68-H70 VanDerWaalsContact O-N 3.12Å; P68-F71 HydrophobicContact CB-CD2 3.96Å; P68-F71 HydrophobicContact CG-CD2 3.98Å; P68-F71 HydrophobicContact CG-CE2 4.41Å; P68-F71 PolarHBondContact O-N 3.39Å |
| 69 | S | 81.3 | Confident | 78.1 | Confident | 94 Ų | 94 | 129.6 Ų | 129.6 | 66% | 0.657 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -56.3 | -33.8 | -170.9 | 57.7 | 0 | 0 | 0 | 0 | 114.5 | F71 R72 | S69-F71 VanDerWaalsContact C-N 3.34Å; S69-R72 WeakPolarHBondContact O-CB 3.43Å; S69-R72 PolarHBondContact O-N 3.29Å |
| 70 | H | 83.5 | Confident | 78.9 | Confident | 140 Ų | 140 | 129.3 Ų | 129.3 | 65% | 0.648 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -76.9 | -17.5 | -179.4 | 57.4 | -88 | 0 | 0 | 0 | 113.9 | P68 | P68-H70 VanDerWaalsContact CB-CE1 3.43Å; P68-H70 WeakPolarHBondContact CB-CE1 3.46Å; P68-H70 PolarHBondContact O-N 3.08Å; P68-H70 VanDerWaalsContact O-N 3.12Å |
| 71 | F | 81.5 | Confident | 79.5 | Confident | 132 Ų | 132 | 131.2 Ų | 131.2 | 58% | 0.579 | 68% | 0.677 | S | S | * | * | G | 310 helix | trans | -89.8 | -6.9 | 171.7 | -69.4 | -65.6 | 0 | 0 | 0 | 112.6 | L67 P68 S69 V73 | L67-F71 HydrophobicContact CD1-CB 3.79Å; L67-F71 HydrophobicContact CD1-CG 4.49Å; L67-F71 HydrophobicContact CD2-CB 4.06Å; L67-F71 HydrophobicContact CG-CB 3.78Å; P68-F71 HydrophobicContact CB-CD2 3.96Å; P68-F71 HydrophobicContact CG-CD2 3.98Å; P68-F71 HydrophobicContact CG-CE2 4.41Å; P68-F71 PolarHBondContact O-N 3.39Å; S69-F71 VanDerWaalsContact C-N 3.34Å; F71-V73 PolarHBondContact O-N 3.12Å |
| 72 | R | 84.8 | Confident | 79.8 | Confident | 151 Ų | 151 | 134.1 Ų | 134.1 | 57% | 0.57 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -74.2 | 122.7 | 175.9 | -62.7 | -179.9 | -170.8 | 178.9 | -1 | 109.1 | L67 S69 R74 | L67-R72 HydrophobicContact CD2-CG 4.26Å; L67-R72 PolarHBondContact O-NE 3.21Å; L67-R72 VanDerWaalsContact O-NE 3.08Å; L67-R72 PolarHBondContact O-NH2 3Å; S69-R72 WeakPolarHBondContact O-CB 3.43Å; S69-R72 PolarHBondContact O-N 3.29Å; R72-R74 PolarHBondContact O-N 3.34Å |
| 73 | V | 85.4 | Confident | 80.1 | Confident | 139 Ų | 139 | 131.1 Ų | 131.1 | 84% | 0.842 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 127.4 | 172.4 | 179.5 | 0 | 0 | 0 | 0 | 108.3 | F71 | F71-V73 PolarHBondContact O-N 3.12Š|
| 74 | R | 80.4 | Confident | 80.4 | Confident | 224 Ų | 224 | 134.3 Ų | 134.3 | 85% | 0.845 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 138.1 | 175.5 | -63.9 | -171.8 | -171 | -167.6 | 3.6 | 109 | R72 V76 | R72-R74 PolarHBondContact O-N 3.34Å; R74-V76 PolarHBondContact O-N 3.31Å |
| 75 | P | 79.1 | Confident | 80.8 | Confident | 124 Ų | 124 | 131 Ų | 131 | 81% | 0.805 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 133.9 | 172.8 | 25.6 | -32.6 | 0 | 0 | 0 | 109 | S77 | P75-S77 PolarHBondContact O-N 3.46Š|
| 76 | V | 78.9 | Confident | 81 | Confident | 116 Ų | 116 | 130.7 Ų | 130.7 | 70% | 0.703 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 134.1 | 179.2 | 179.2 | 0 | 0 | 0 | 0 | 108.6 | R74 | R74-V76 PolarHBondContact O-N 3.31Š|
| 77 | S | 79.1 | Confident | 81.2 | Confident | 87 Ų | 87 | 128.5 Ų | 128.5 | 61% | 0.608 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 125.3 | 173 | -62 | 0 | 0 | 0 | 0 | 109.3 | P75 M79 | P75-S77 PolarHBondContact O-N 3.46Å; S77-M79 PolarHBondContact O-N 3.12Å |
| 78 | P | 81.5 | Confident | 81 | Confident | 68 Ų | 68 | 129.2 Ų | 129.2 | 44% | 0.442 | 68% | 0.676 | S | S | . | * | trans | -62.6 | 109.1 | -173.9 | 21.3 | -31.1 | 0 | 0 | 0 | 110.1 | D80 K81 | P78-D80 PolarHBondContact O-N 3.3Å; P78-K81 HydrophobicContact CG-CD 4.02Å; P78-K81 HydrophobicContact CG-CG 4.33Å; P78-K81 PolarHBondContact O-N 3.32Å | ||
| 79 | M | 73.1 | Confident | 80.6 | Confident | 118 Ų | 118 | 130.7 Ų | 130.7 | 58% | 0.581 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -63.2 | -30.3 | -176.5 | -79 | -173.8 | -87.1 | 0 | 0 | 112 | S77 K81 Y82 I83 | S77-M79 PolarHBondContact O-N 3.12Å; M79-K81 PolarHBondContact O-N 2.94Å; M79-K81 VanDerWaalsContact O-N 3.12Å; M79-Y82 PolarHBondContact O-N 3.19Å; M79-I83 HydrophobicContact CB-CD1 4.06Å; M79-I83 HydrophobicContact CG-CD1 4.2Å; M79-I83 PolarHBondContact O-N 3.11Å; M79-I83 HydrophobicContact SD-CD1 4.16Å |
| 80 | D | 77.7 | Confident | 80.7 | Confident | 147 Ų | 147 | 131.9 Ų | 131.9 | 79% | 0.786 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -58.3 | -27.1 | 179.1 | -60.9 | -20.8 | 0 | 0 | 0 | 113.7 | P78 Y82 | P78-D80 PolarHBondContact O-N 3.3Å; D80-Y82 VanDerWaalsContact C-N 3.3Å |
| 81 | K | 77.9 | Confident | 80.6 | Confident | 152 Ų | 152 | 128.4 Ų | 128.4 | 66% | 0.661 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -71.5 | -27.1 | 176.4 | -68.5 | -171.3 | -177.8 | 179.5 | 0 | 112.5 | P78 M79 | P78-K81 HydrophobicContact CG-CD 4.02Å; P78-K81 HydrophobicContact CG-CG 4.33Å; P78-K81 PolarHBondContact O-N 3.32Å; M79-K81 PolarHBondContact O-N 2.94Å; M79-K81 VanDerWaalsContact O-N 3.12Å |
| 82 | Y | 76.2 | Confident | 80.7 | Confident | 182 Ų | 182 | 123.7 Ų | 123.7 | 71% | 0.714 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.8 | -23 | -168.8 | -57 | -72.3 | 0 | 0 | 0 | 113.5 | M79 D80 | M79-Y82 PolarHBondContact O-N 3.19Å; D80-Y82 VanDerWaalsContact C-N 3.3Å |
| 83 | I | 81.7 | Confident | 80.5 | Confident | 101 Ų | 101 | 126.7 Ų | 126.7 | 52% | 0.518 | 68% | 0.679 | S | S | . | * | trans | -108.9 | 100.2 | 179.4 | -53.8 | -179.1 | 0 | 0 | 0 | 108.4 | M79 V85 | M79-I83 HydrophobicContact CB-CD1 4.06Å; M79-I83 HydrophobicContact CG-CD1 4.2Å; M79-I83 PolarHBondContact O-N 3.11Å; M79-I83 HydrophobicContact SD-CD1 4.16Å; I83-V85 HydrophobicContact CG2-CG2 4.26Å | ||
| 84 | K | 81.4 | Confident | 80.3 | Confident | 176 Ų | 176 | 124.5 Ų | 124.5 | 77% | 0.765 | 67% | 0.666 | S | S | * | * | trans | -98.2 | 106.9 | 171.1 | -65.4 | -177.1 | -178.3 | 179.8 | 0 | 108.9 | L86 | K84-L86 PolarHBondContact O-N 3.11Š| ||
| 85 | V | 80.7 | Confident | 79.8 | Confident | 135 Ų | 135 | 119.4 Ų | 119.4 | 82% | 0.818 | 66% | 0.66 | S | S | * | * | trans | -79.3 | 107.3 | 174.1 | -174.3 | 0 | 0 | 0 | 0 | 108.2 | I83 | I83-V85 HydrophobicContact CG2-CG2 4.26Š| ||
| 86 | L | 83.5 | Confident | 79.8 | Confident | 143 Ų | 143 | 121.6 Ų | 121.6 | 75% | 0.749 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 155.3 | 172.8 | -66.7 | 178.2 | 0 | 0 | 0 | 110.3 | K84 | K84-L86 PolarHBondContact O-N 3.11Š|
| 87 | P | 85.4 | Confident | 79.5 | Confident | 118 Ų | 118 | 117.6 Ų | 117.6 | 77% | 0.766 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 150.3 | 175.2 | 26.7 | -35.1 | 0 | 0 | 0 | 111.5 | ||
| 88 | S | 78.6 | Confident | 79.5 | Confident | 110 Ų | 110 | 115.4 Ų | 115.4 | 77% | 0.769 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 144.7 | 177.1 | -53.7 | 0 | 0 | 0 | 0 | 111.5 | ||
| 89 | P | 81.6 | Confident | 79.3 | Confident | 87 Ų | 87 | 117.6 Ų | 117.6 | 57% | 0.565 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 154.6 | 178.6 | 25.9 | -30.9 | 0 | 0 | 0 | 111.6 | W101 | P89-W101 HydrophobicContact CG-CH2 3.85Å; P89-W101 HydrophobicContact CG-CZ2 4.19Å |
| 90 | P | 83.1 | Confident | 79.4 | Confident | 120 Ų | 120 | 114.9 Ų | 114.9 | 78% | 0.779 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -67 | 151.5 | -179.5 | 28.6 | -35.2 | 0 | 0 | 0 | 111.8 | ||
| 91 | V | 82 | Confident | 79.5 | Confident | 67 Ų | 67 | 112.6 Ų | 112.6 | 41% | 0.406 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 127.7 | 179.8 | -179 | 0 | 0 | 0 | 0 | 110.4 | F98 W101 V105 | V91-F98 HydrophobicContact CG1-CD2 3.77Å; V91-F98 HydrophobicContact CG1-CE2 3.63Å; V91-W101 HydrophobicContact CG1-CB 4.14Å; V91-W101 HydrophobicContact CG2-CE3 4.22Å; V91-V105 HydrophobicContact CG1-CG2 3.97Å; V91-V105 HydrophobicContact CG2-CG2 4.14Å |
| 92 | P | 83.4 | Confident | 79.2 | Confident | 33 Ų | 33 | 109.4 Ų | 109.4 | 21% | 0.214 | 60% | 0.595 | C | S | . | * | P | Polyproline II helix | trans | -67 | 136.2 | -177.7 | 24.9 | -32.7 | 0 | 0 | 0 | 111.7 | G97 F98 W101 | P92-G97 VanDerWaalsContact CG-C 3.45Å; P92-G97 WeakPolarHBondContact CG-O 3.32Å; P92-F98 WeakPolarHBondContact O-CD2 3.49Å; P92-W101 VanDerWaalsContact CD-CG 3.5Å; P92-W101 HydrophobicContact CG-CB 4.47Å; P92-W101 VanDerWaalsContact CG-CD1 3.49Å; P92-W101 HydrophobicContact CG-CD2 4.41Å; P92-W101 HydrophobicContact CG-CG 3.87Å |
| 93 | K | 80.4 | Confident | 79 | Confident | 213 Ų | 213 | 104.4 Ų | 104.4 | 93% | 0.926 | 59% | 0.587 | S | S | * | * | trans | -84 | -11.5 | 179.9 | -59.1 | -176.6 | -176.5 | 179.8 | 0 | 113.7 | ||||
| 94 | T | 80.9 | Confident | 78.5 | Confident | 93 Ų | 93 | 102.6 Ų | 102.6 | 57% | 0.571 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -87 | 140.2 | -178.7 | 60.5 | 0 | 0 | 0 | 0 | 110.9 | Q96 G97 F98 | T94-Q96 VanDerWaalsContact C-N 3.3Å; T94-Q96 PolarHBondContact O-N 3.32Å; T94-G97 PolarHBondContact O-N 2.92Å; T94-F98 WeakPolarHBondContact O-CB 3.5Å; T94-F98 PolarHBondContact O-N 3.43Å |
| 95 | T | 70.6 | Confident | 78.3 | Confident | 117 Ų | 117 | 95.7 Ų | 95.7 | 72% | 0.718 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -57.9 | -36.6 | -173.2 | 19 | 0 | 0 | 0 | 0 | 114 | I99 | T95-I99 WeakPolarHBondContact O-CG1 3.39Å |
| 96 | Q | 78.9 | Confident | 78 | Confident | 170 Ų | 170 | 95 Ų | 95 | 79% | 0.794 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -75.1 | -43.3 | 179.6 | -171.4 | 177.4 | 5.3 | 0 | 0 | 112.4 | T94 F98 | T94-Q96 VanDerWaalsContact C-N 3.3Å; T94-Q96 PolarHBondContact O-N 3.32Å; Q96-F98 PolarHBondContact O-N 3.21Å |
| 97 | G | 72.9 | Confident | 77.7 | Confident | 32 Ų | 32 | 90.2 Ų | 90.2 | 33% | 0.33 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.9 | -25.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P92 T94 | P92-G97 VanDerWaalsContact CG-C 3.45Å; P92-G97 WeakPolarHBondContact CG-O 3.32Å; T94-G97 PolarHBondContact O-N 2.92Å |
| 98 | F | 78.3 | Confident | 77 | Confident | 41 Ų | 41 | 88.2 Ų | 88.2 | 18% | 0.18 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -72.7 | -26.7 | -177.2 | -167.9 | -117.3 | 0 | 0 | 0 | 113.8 | V91 P92 T94 Q96 G100 W101 R102 V105 L108 | V91-F98 HydrophobicContact CG1-CD2 3.77Å; V91-F98 HydrophobicContact CG1-CE2 3.63Å; P92-F98 WeakPolarHBondContact O-CD2 3.49Å; T94-F98 WeakPolarHBondContact O-CB 3.5Å; T94-F98 PolarHBondContact O-N 3.43Å; Q96-F98 PolarHBondContact O-N 3.21Å; F98-G100 VanDerWaalsContact C-N 3.33Å; F98-G100 PolarHBondContact O-N 3.18Å; F98-W101 PolarHBondContact O-N 3.31Å; F98-R102 HydrophobicContact CD1-CG 3.61Å; F98-R102 VanDerWaalsContact CD1-CZ 3.43Å; F98-R102 HydrophobicContact CE1-CG 3.59Å; F98-R102 HydrophobicContact CG-CG 4.32Å; F98-R102 HydrophobicContact CZ-CG 4.31Å; F98-R102 WeakPolarHBondContact O-CG 3.43Å; F98-R102 PolarHBondContact O-N 2.81Å; F98-R102 VanDerWaalsContact O-N 3.11Å; F98-V105 HydrophobicContact CE2-CG2 4.3Å; F98-L108 HydrophobicContact CE1-CD1 4.11Å; F98-L108 HydrophobicContact CE1-CD2 4.09Å; F98-L108 HydrophobicContact CZ-CD1 3.57Å; F98-L108 HydrophobicContact CZ-CD2 4.4Å |
| 99 | I | 76.9 | Confident | 76.6 | Confident | 114 Ų | 114 | 85.3 Ų | 85.3 | 59% | 0.585 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.3 | -46.4 | -173.7 | -62 | 171.2 | 0 | 0 | 0 | 112.2 | T95 W101 | T95-I99 WeakPolarHBondContact O-CG1 3.39Å; I99-W101 VanDerWaalsContact C-N 3.33Å; I99-W101 PolarHBondContact O-N 2.92Å |
| 100 | G | 74.7 | Confident | 76 | Confident | 62 Ų | 62 | 88.7 Ų | 88.7 | 64% | 0.639 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -18.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | F98 | F98-G100 VanDerWaalsContact C-N 3.33Å; F98-G100 PolarHBondContact O-N 3.18Å |
| 101 | W | 80.4 | Confident | 75.1 | Confident | 98 Ų | 98 | 87.5 Ų | 87.5 | 37% | 0.371 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -13.2 | -177.6 | -69.3 | 76.9 | 0 | 0 | 0 | 113.3 | P89 V91 P92 F98 I99 S103 G104 V105 | P89-W101 HydrophobicContact CG-CH2 3.85Å; P89-W101 HydrophobicContact CG-CZ2 4.19Å; V91-W101 HydrophobicContact CG1-CB 4.14Å; V91-W101 HydrophobicContact CG2-CE3 4.22Å; P92-W101 VanDerWaalsContact CD-CG 3.5Å; P92-W101 HydrophobicContact CG-CB 4.47Å; P92-W101 VanDerWaalsContact CG-CD1 3.49Å; P92-W101 HydrophobicContact CG-CD2 4.41Å; P92-W101 HydrophobicContact CG-CG 3.87Å; F98-W101 PolarHBondContact O-N 3.31Å; I99-W101 VanDerWaalsContact C-N 3.33Å; I99-W101 PolarHBondContact O-N 2.92Å; W101-S103 PolarHBondContact O-N 3.22Å; W101-S103 VanDerWaalsContact O-N 3.14Å; W101-G104 PolarHBondContact O-N 3.39Å; W101-V105 PolarHBondContact O-N 3.19Å |
| 102 | R | 71.3 | Confident | 74.3 | Confident | 85 Ų | 85 | 89.6 Ų | 89.6 | 32% | 0.321 | 52% | 0.515 | S | S | . | . | G | 310 helix | trans | -55.1 | -30.7 | -179.9 | -75.5 | 167.4 | -169.2 | -93.5 | 4.6 | 113.4 | F98 G104 L112 | F98-R102 HydrophobicContact CD1-CG 3.61Å; F98-R102 VanDerWaalsContact CD1-CZ 3.43Å; F98-R102 HydrophobicContact CE1-CG 3.59Å; F98-R102 HydrophobicContact CG-CG 4.32Å; F98-R102 HydrophobicContact CZ-CG 4.31Å; F98-R102 WeakPolarHBondContact O-CG 3.43Å; F98-R102 PolarHBondContact O-N 2.81Å; F98-R102 VanDerWaalsContact O-N 3.11Å; R102-G104 VanDerWaalsContact C-N 3.34Å; R102-L112 HydrophobicContact CB-CD1 4.41Å |
| 103 | S | 71.3 | Confident | 73.3 | Confident | 78 Ų | 78 | 94 Ų | 94 | 55% | 0.545 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -67.1 | -32.7 | 176.8 | 54.7 | 0 | 0 | 0 | 0 | 113.1 | W101 | W101-S103 PolarHBondContact O-N 3.22Å; W101-S103 VanDerWaalsContact O-N 3.14Å |
| 104 | G | 72.5 | Confident | 72.3 | Confident | 63 Ų | 63 | 90.7 Ų | 90.7 | 65% | 0.649 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -88.6 | -5.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | W101 R102 | W101-G104 PolarHBondContact O-N 3.39Å; R102-G104 VanDerWaalsContact C-N 3.34Å |
| 105 | V | 77.3 | Confident | 71.2 | Confident | 31 Ų | 31 | 93.6 Ų | 93.6 | 19% | 0.188 | 53% | 0.532 | C | S | . | . | S | Bend | trans | -97.8 | 116.2 | -179.2 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | V91 F98 W101 G107 L108 | V91-V105 HydrophobicContact CG1-CG2 3.97Å; V91-V105 HydrophobicContact CG2-CG2 4.14Å; F98-V105 HydrophobicContact CE2-CG2 4.3Å; W101-V105 PolarHBondContact O-N 3.19Å; V105-G107 PolarHBondContact O-N 3.07Å; V105-L108 HydrophobicContact CB-CB 4.42Å; V105-L108 HydrophobicContact CB-CD1 3.91Å; V105-L108 HydrophobicContact CG1-CD1 3.53Å; V105-L108 PolarHBondContact O-N 2.94Å |
| 106 | P | 75 | Confident | 70.5 | Confident | 121 Ų | 121 | 93 Ų | 93 | 79% | 0.786 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 122.6 | 178.3 | -25.5 | 34.3 | 0 | 0 | 0 | 111.7 | ||
| 107 | G | 75.2 | Confident | 69.7 | Low | 42 Ų | 42 | 91.9 Ų | 91.9 | 43% | 0.433 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 102.1 | -21.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | V105 N109 | V105-G107 PolarHBondContact O-N 3.07Å; G107-N109 PolarHBondContact N-OD1 2.75Å; G107-N109 VanDerWaalsContact N-OD1 3.11Å |
| 108 | L | 72.3 | Confident | 69 | Low | 75 Ų | 75 | 98 Ų | 98 | 39% | 0.393 | 55% | 0.547 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -17 | 172.6 | -79.4 | 139.8 | 0 | 0 | 0 | 112.9 | F98 V105 K110 | F98-L108 HydrophobicContact CE1-CD1 4.11Å; F98-L108 HydrophobicContact CE1-CD2 4.09Å; F98-L108 HydrophobicContact CZ-CD1 3.57Å; F98-L108 HydrophobicContact CZ-CD2 4.4Å; V105-L108 HydrophobicContact CB-CB 4.42Å; V105-L108 HydrophobicContact CB-CD1 3.91Å; V105-L108 HydrophobicContact CG1-CD1 3.53Å; V105-L108 PolarHBondContact O-N 2.94Å; L108-K110 VanDerWaalsContact C-N 3.3Å |
| 109 | N | 70.4 | Confident | 68 | Low | 50 Ų | 50 | 105.7 Ų | 105.7 | 27% | 0.267 | 58% | 0.575 | S | S | . | * | G | 310 helix | trans | -76.1 | -12.9 | 176.1 | 64.2 | -29.8 | 0 | 0 | 0 | 114.3 | G107 C111 L112 | G107-N109 PolarHBondContact N-OD1 2.75Å; G107-N109 VanDerWaalsContact N-OD1 3.11Å; N109-C111 VanDerWaalsContact C-N 3.27Å; N109-C111 PolarHBondContact O-N 3.45Å; N109-L112 PolarHBondContact O-N 3.16Å |
| 110 | K | 67.9 | Low | 67.2 | Low | 158 Ų | 158 | 104.2 Ų | 104.2 | 69% | 0.687 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -59.9 | -32.2 | -175 | -65.7 | -179.8 | 175.8 | 179.6 | 0 | 114.3 | L108 | L108-K110 VanDerWaalsContact C-N 3.3Š|
| 111 | C | 63.7 | Low | 66.7 | Low | 95 Ų | 95 | 106.7 Ų | 106.7 | 64% | 0.642 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -96.8 | 5.8 | -179.8 | -49 | 0 | 0 | 0 | 0 | 113.1 | N109 H114 | N109-C111 VanDerWaalsContact C-N 3.27Å; N109-C111 PolarHBondContact O-N 3.45Å; C111-H114 WeakPolarHBondContact CA-NE2 3.33Å; C111-H114 PolarHBondContact O-CD2 2.99Å; C111-H114 PolarHBondContact O-NE2 3.44Å |
| 112 | L | 65.4 | Low | 65.9 | Low | 111 Ų | 111 | 109.9 Ų | 109.9 | 58% | 0.581 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -18.7 | 175 | -69.5 | 170.1 | 0 | 0 | 0 | 111.8 | R102 N109 H114 | R102-L112 HydrophobicContact CB-CD1 4.41Å; N109-L112 PolarHBondContact O-N 3.16Å; L112-H114 PolarHBondContact O-N 3.38Å |
| 113 | E | 62.5 | Low | 65.6 | Low | 126 Ų | 126 | 106.6 Ų | 106.6 | 59% | 0.589 | 59% | 0.59 | S | S | * | * | trans | -96.3 | 43 | -177.8 | -61.9 | -169.5 | -174.6 | 0 | 0 | 112.3 | D115 T116 | E113-D115 VanDerWaalsContact C-N 3.32Å; E113-T116 HydrophobicContact CB-CG2 4Å | ||
| 114 | H | 60.3 | Low | 65.6 | Low | 143 Ų | 143 | 105.1 Ų | 105.1 | 66% | 0.662 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -16.4 | 178 | -75.9 | -55.4 | 0 | 0 | 0 | 113.6 | C111 L112 | C111-H114 WeakPolarHBondContact CA-NE2 3.33Å; C111-H114 PolarHBondContact O-CD2 2.99Å; C111-H114 PolarHBondContact O-NE2 3.44Å; L112-H114 PolarHBondContact O-N 3.38Å |
| 115 | D | 56.9 | Low | 65.6 | Low | 153 Ų | 153 | 109.7 Ų | 109.7 | 82% | 0.818 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.3 | 50.3 | -177.9 | -59.7 | -40.3 | 0 | 0 | 0 | 111.6 | E113 E117 | E113-D115 VanDerWaalsContact C-N 3.32Å; D115-E117 PolarHBondContact O-N 3.27Å |
| 116 | T | 57.3 | Low | 65.5 | Low | 105 Ų | 105 | 109.3 Ų | 109.3 | 64% | 0.644 | 58% | 0.581 | S | S | * | * | trans | -70.6 | -11.1 | 172.6 | 54.8 | 0 | 0 | 0 | 0 | 113 | E113 I118 | E113-T116 HydrophobicContact CB-CG2 4Å; T116-I118 PolarHBondContact O-N 3.12Å; T116-I118 VanDerWaalsContact O-N 3.11Å | ||
| 117 | E | 60.8 | Low | 65.3 | Low | 146 Ų | 146 | 113.4 Ų | 113.4 | 68% | 0.682 | 58% | 0.581 | S | S | * | * | trans | -77.6 | 100.4 | 176.8 | -156.2 | 176.4 | -142.1 | 0 | 0 | 108.8 | D115 R119 | D115-E117 PolarHBondContact O-N 3.27Å; E117-R119 PolarHBondContact O-N 2.91Å; E117-R119 IonicContact OE2-NE 2.66Å | ||
| 118 | I | 59.2 | Low | 65.6 | Low | 161 Ų | 161 | 118.4 Ų | 118.4 | 83% | 0.826 | 59% | 0.593 | S | S | * | * | trans | -64.3 | 88.1 | 168.5 | -57.4 | 172.6 | 0 | 0 | 0 | 106.8 | T116 S120 | T116-I118 PolarHBondContact O-N 3.12Å; T116-I118 VanDerWaalsContact O-N 3.11Å; I118-S120 VanDerWaalsContact C-N 3.31Å; I118-S120 PolarHBondContact O-N 3.47Å | ||
| 119 | R | 56.8 | Low | 66 | Low | 203 Ų | 203 | 119.4 Ų | 119.4 | 77% | 0.766 | 60% | 0.598 | S | S | * | * | trans | -67.5 | 97.1 | 166.5 | -77.9 | -174.5 | 167.5 | -158.6 | -3.1 | 106.6 | E117 C121 | E117-R119 PolarHBondContact O-N 2.91Å; E117-R119 IonicContact OE2-NE 2.66Å; R119-C121 PolarHBondContact O-N 2.98Å | ||
| 120 | S | 61 | Low | 66.4 | Low | 82 Ų | 82 | 125.2 Ų | 125.2 | 57% | 0.573 | 62% | 0.624 | S | S | * | * | trans | -52.5 | 110.6 | 174.2 | 177.5 | 0 | 0 | 0 | 0 | 109 | I118 K122 | I118-S120 VanDerWaalsContact C-N 3.31Å; I118-S120 PolarHBondContact O-N 3.47Å; S120-K122 PolarHBondContact O-N 3.14Å; S120-K122 VanDerWaalsContact O-N 3.16Å; S120-K122 PolarHBondContact OG-N 3.05Å | ||
| 121 | C | 62.2 | Low | 67 | Low | 114 Ų | 114 | 125 Ų | 125 | 77% | 0.77 | 62% | 0.619 | S | S | * | * | trans | -66.6 | -12.8 | 175.9 | -44.3 | 0 | 0 | 0 | 0 | 111.6 | R119 G123 A124 | R119-C121 PolarHBondContact O-N 2.98Å; C121-G123 PolarHBondContact O-N 3.5Å; C121-A124 PolarHBondContact O-N 3.16Å | ||
| 122 | K | 64 | Low | 67.7 | Low | 165 Ų | 165 | 123.9 Ų | 123.9 | 72% | 0.717 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 103.6 | -173.1 | -143.2 | -179.6 | -177.1 | -161.1 | 0 | 109.3 | S120 | S120-K122 PolarHBondContact O-N 3.14Å; S120-K122 VanDerWaalsContact O-N 3.16Å; S120-K122 PolarHBondContact OG-N 3.05Å |
| 123 | G | 66.2 | Low | 68 | Low | 16 Ų | 16 | 126.7 Ų | 126.7 | 17% | 0.165 | 62% | 0.62 | C | S | . | * | T | Hydrogen-bonded Turn | trans | 91.1 | -7.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | C121 A126 R127 | C121-G123 PolarHBondContact O-N 3.5Å; G123-A126 PolarHBondContact O-N 3.05Å; G123-R127 VanDerWaalsContact O-CG 3.32Å; G123-R127 WeakPolarHBondContact O-CG 3.46Å; G123-R127 PolarHBondContact O-N 3.34Å |
| 124 | A | 71.5 | Confident | 68.7 | Low | 48 Ų | 48 | 128 Ų | 128 | 40% | 0.397 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -62.7 | -47.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | C121 A126 R127 E128 | C121-A124 PolarHBondContact O-N 3.16Å; A124-A126 PolarHBondContact O-N 3.39Å; A124-R127 WeakPolarHBondContact O-CB 3.22Å; A124-R127 PolarHBondContact O-N 3.24Å; A124-E128 PolarHBondContact O-N 2.88Å; A124-E128 VanDerWaalsContact O-N 3.16Å |
| 125 | Y | 71.2 | Confident | 68.9 | Low | 159 Ų | 159 | 123.4 Ų | 123.4 | 62% | 0.624 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -68.3 | -34.6 | 177 | -170.8 | -116.7 | 0 | 0 | 0 | 112.9 | R127 E128 L129 | Y125-R127 VanDerWaalsContact C-N 3.3Å; Y125-R127 PolarHBondContact O-N 3.49Å; Y125-E128 PolarHBondContact O-N 3.22Å; Y125-L129 HydrophobicContact CD1-CD1 3.84Å; Y125-L129 HydrophobicContact CE1-CD1 3.4Å; Y125-L129 HydrophobicContact CE1-CG 4.35Å; Y125-L129 HydrophobicContact CE2-CD1 4.37Å; Y125-L129 HydrophobicContact CG-CD1 4.49Å; Y125-L129 WeakPolarHBondContact O-CG 3.38Å; Y125-L129 PolarHBondContact O-N 3.23Å; Y125-L129 VanDerWaalsContact O-N 3.1Å |
| 126 | A | 75.1 | Confident | 69.3 | Low | 22 Ų | 22 | 119.2 Ų | 119.2 | 18% | 0.182 | 60% | 0.598 | C | S | . | * | H | α-helix | trans | -65.9 | -33.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G123 A124 L129 H130 W131 V136 | G123-A126 PolarHBondContact O-N 3.05Å; A124-A126 PolarHBondContact O-N 3.39Å; A126-L129 PolarHBondContact O-N 2.96Å; A126-H130 PolarHBondContact O-N 3.11Å; A126-W131 HydrophobicContact CB-CB 4.07Å; A126-W131 WeakPolarHBondContact O-CB 3.22Å; A126-W131 PolarHBondContact O-N 3.14Å; A126-V136 HydrophobicContact CB-CG2 3.68Å |
| 127 | R | 72.4 | Confident | 69.4 | Low | 208 Ų | 208 | 124.4 Ų | 124.4 | 79% | 0.785 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69 | -41.4 | 173.6 | -74.2 | 174.4 | -176.7 | -176.8 | 1.6 | 112.4 | G123 A124 Y125 L129 H130 | G123-R127 VanDerWaalsContact O-CG 3.32Å; G123-R127 WeakPolarHBondContact O-CG 3.46Å; G123-R127 PolarHBondContact O-N 3.34Å; A124-R127 WeakPolarHBondContact O-CB 3.22Å; A124-R127 PolarHBondContact O-N 3.24Å; Y125-R127 VanDerWaalsContact C-N 3.3Å; Y125-R127 PolarHBondContact O-N 3.49Å; R127-L129 PolarHBondContact O-N 3.48Å; R127-H130 PolarHBondContact O-N 3.1Å; R127-H130 VanDerWaalsContact O-N 3.14Å |
| 128 | E | 80 | Confident | 69.9 | Low | 147 Ų | 147 | 123.4 Ų | 123.4 | 69% | 0.687 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62 | -33.5 | 174.9 | -73.9 | -179.6 | 175.3 | 0 | 0 | 112.3 | A124 Y125 H130 | A124-E128 PolarHBondContact O-N 2.88Å; A124-E128 VanDerWaalsContact O-N 3.16Å; Y125-E128 PolarHBondContact O-N 3.22Å; E128-H130 VanDerWaalsContact C-N 3.33Å |
| 129 | L | 80.6 | Confident | 70.4 | Confident | 96 Ų | 96 | 121.4 Ų | 121.4 | 50% | 0.503 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.9 | 3.3 | 177.1 | -66 | 176.8 | 0 | 0 | 0 | 114.2 | Y125 A126 R127 W131 | Y125-L129 HydrophobicContact CD1-CD1 3.84Å; Y125-L129 HydrophobicContact CE1-CD1 3.4Å; Y125-L129 HydrophobicContact CE1-CG 4.35Å; Y125-L129 HydrophobicContact CE2-CD1 4.37Å; Y125-L129 HydrophobicContact CG-CD1 4.49Å; Y125-L129 WeakPolarHBondContact O-CG 3.38Å; Y125-L129 PolarHBondContact O-N 3.23Å; Y125-L129 VanDerWaalsContact O-N 3.1Å; A126-L129 PolarHBondContact O-N 2.96Å; R127-L129 PolarHBondContact O-N 3.48Å; L129-W131 PolarHBondContact O-N 3.47Å |
| 130 | H | 79.9 | Confident | 71.2 | Confident | 172 Ų | 172 | 116.8 Ų | 116.8 | 80% | 0.796 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.5 | 38 | -173.4 | -59.7 | -63 | 0 | 0 | 0 | 113.7 | A126 R127 E128 | A126-H130 PolarHBondContact O-N 3.11Å; R127-H130 PolarHBondContact O-N 3.1Å; R127-H130 VanDerWaalsContact O-N 3.14Å; E128-H130 VanDerWaalsContact C-N 3.33Å |
| 131 | W | 79.6 | Confident | 71.8 | Confident | 153 Ų | 153 | 118.9 Ų | 118.9 | 58% | 0.58 | 59% | 0.591 | S | S | * | * | trans | -68.4 | 137.6 | -176.9 | -160.2 | -100.1 | 0 | 0 | 0 | 111 | A126 L129 | A126-W131 HydrophobicContact CB-CB 4.07Å; A126-W131 WeakPolarHBondContact O-CB 3.22Å; A126-W131 PolarHBondContact O-N 3.14Å; L129-W131 PolarHBondContact O-N 3.47Å | ||
| 132 | P | 78.8 | Confident | 72.4 | Confident | 71 Ų | 71 | 119.2 Ų | 119.2 | 46% | 0.461 | 58% | 0.58 | S | S | . | * | trans | -61.3 | 141.1 | -179.2 | 22 | -32.2 | 0 | 0 | 0 | 111.9 | Q134 G135 | P132-Q134 PolarHBondContact O-N 3.22Å; P132-Q134 VanDerWaalsContact O-N 3.12Å; P132-G135 PolarHBondContact O-N 3.27Å | ||
| 133 | E | 72.1 | Confident | 72.9 | Confident | 171 Ų | 171 | 116.1 Ų | 116.1 | 80% | 0.799 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -58.5 | -29.9 | -174.7 | -65.2 | -173.4 | 162.8 | 0 | 0 | 112.9 | G135 V136 | E133-G135 PolarHBondContact O-N 2.94Å; E133-V136 PolarHBondContact O-N 3.4Å |
| 134 | Q | 75.9 | Confident | 73.4 | Confident | 152 Ų | 152 | 123.3 Ų | 123.3 | 71% | 0.71 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -64.6 | -18.5 | 176.7 | -56.8 | 84.8 | -4.3 | 0 | 0 | 113.3 | P132 | P132-Q134 PolarHBondContact O-N 3.22Å; P132-Q134 VanDerWaalsContact O-N 3.12Å |
| 135 | G | 65.1 | Low | 73.6 | Confident | 47 Ų | 47 | 129.1 Ų | 129.1 | 49% | 0.485 | 62% | 0.615 | S | S | . | * | G | 310 helix | trans | -96.8 | -1.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P132 E133 | P132-G135 PolarHBondContact O-N 3.27Å; E133-G135 PolarHBondContact O-N 2.94Å |
| 136 | V | 66.4 | Low | 73.8 | Confident | 66 Ų | 66 | 126.6 Ų | 126.6 | 40% | 0.4 | 62% | 0.615 | S | S | . | * | trans | -113.8 | 88.9 | -179 | -172 | 0 | 0 | 0 | 0 | 108.9 | A126 E133 | A126-V136 HydrophobicContact CB-CG2 3.68Å; E133-V136 PolarHBondContact O-N 3.4Å | ||
| 137 | H | 59.3 | Low | 73.6 | Confident | 214 Ų | 214 | 136.1 Ų | 136.1 | 99% | 0.991 | 65% | 0.654 | S | S | * | * | trans | -115.3 | 0 | 174.4 | -81.7 | -61.7 | 0 | 0 | 0 | 111.1 |
Retrieved 137 of 137 residues in 74.7 ms
(Link to these results)