| 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 | 40.3 | Very low | 46.9 | Very low | 239 Ų | 239 | 147.9 Ų | 147.9 | 100% | 1.177 | 73% | 0.733 | S | S | * | * | 0 | 100.5 | 0 | -72.9 | 160.3 | 172.4 | 0 | 0 | 107.7 | K3 | M1-K3 PolarHBondContact O-N 2.92Š| |||
| 2 | D | 41 | Very low | 47.4 | Very low | 140 Ų | 140 | 143.3 Ų | 143.3 | 75% | 0.749 | 71% | 0.713 | S | S | * | * | trans | -63.1 | 98.8 | -176 | -169.8 | -96.4 | 0 | 0 | 0 | 110.7 | S5 | D2-S5 PolarHBondContact OD1-OG 3.32Š| ||
| 3 | K | 53.6 | Low | 48.4 | Very low | 193 Ų | 193 | 139.1 Ų | 139.1 | 84% | 0.839 | 69% | 0.693 | S | S | * | * | trans | -91.5 | 115.3 | 167.9 | -92.5 | 177.2 | 177.4 | 170.9 | 0 | 106.9 | M1 | M1-K3 PolarHBondContact O-N 2.92Š| ||
| 4 | T | 48.4 | Very low | 49.9 | Very low | 80 Ų | 80 | 133.6 Ų | 133.6 | 49% | 0.491 | 67% | 0.668 | S | S | . | * | trans | 126.7 | 26 | 145.1 | -42 | 0 | 0 | 0 | 0 | 116.2 | R6 K7 | T4-R6 PolarHBondContact O-N 3.44Å; T4-K7 HydrophobicContact CG2-CB 4.03Å; T4-K7 HydrophobicContact CG2-CD 3.7Å; T4-K7 HydrophobicContact CG2-CG 3.64Å | ||
| 5 | S | 45.8 | Very low | 51.6 | Low | 96 Ų | 96 | 126.7 Ų | 126.7 | 67% | 0.671 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | 16.2 | 154.1 | -63.1 | 0 | 0 | 0 | 0 | 114.4 | D2 | D2-S5 PolarHBondContact OD1-OG 3.32Š|
| 6 | R | 47.7 | Very low | 53.7 | Low | 234 Ų | 234 | 118.9 Ų | 118.9 | 88% | 0.883 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | 3.6 | -179.8 | -78.4 | -173.3 | -117.1 | 151.1 | -4.1 | 114.8 | T4 | T4-R6 PolarHBondContact O-N 3.44Š|
| 7 | K | 45.9 | Very low | 55.3 | Low | 172 Ų | 172 | 115.2 Ų | 115.2 | 75% | 0.748 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -98.5 | -9.8 | 176.1 | -81.1 | -172.8 | 178.9 | -174.4 | 0 | 114.6 | T4 | T4-K7 HydrophobicContact CG2-CB 4.03Å; T4-K7 HydrophobicContact CG2-CD 3.7Å; T4-K7 HydrophobicContact CG2-CG 3.64Å |
| 8 | I | 44.5 | Very low | 56.8 | Low | 157 Ų | 157 | 115.9 Ų | 115.9 | 81% | 0.805 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -14.3 | -173.5 | -73 | 170.7 | 0 | 0 | 0 | 113.9 | ||
| 9 | S | 45.3 | Very low | 58.3 | Low | 77 Ų | 77 | 110.4 Ų | 110.4 | 54% | 0.538 | 55% | 0.553 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -126.9 | 34.5 | -167.8 | -152.6 | 0 | 0 | 0 | 0 | 114.3 | I13 | S9-I13 WeakPolarHBondContact O-CD1 3.29Š|
| 10 | N | 51.2 | Low | 59.6 | Low | 71 Ų | 71 | 106.3 Ų | 106.3 | 38% | 0.38 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -115.4 | -41 | 176.7 | -122.7 | -69.5 | 0 | 0 | 0 | 112.6 | D12 I13 N14 L17 | N10-D12 PolarHBondContact O-N 3.36Å; N10-I13 PolarHBondContact O-N 3.49Å; N10-N14 PolarHBondContact O-N 2.97Å; N10-N14 PolarHBondContact OD1-ND2 3.48Å; N10-L17 HydrophobicContact CB-CD1 3.69Å; N10-L17 HydrophobicContact CB-CD2 4.5Å; N10-L17 WeakPolarHBondContact O-CD1 3.32Å |
| 11 | Q | 51.8 | Low | 60.9 | Low | 168 Ų | 168 | 106.4 Ų | 106.4 | 79% | 0.785 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -32.4 | 176.9 | -82 | 178.7 | -65.1 | 0 | 0 | 113.1 | L17 R73 | Q11-L17 HydrophobicContact CB-CD1 4.49Å; Q11-L17 HydrophobicContact CG-CD1 4.19Å; Q11-L17 VanDerWaalsContact N-CD1 3.32Å; Q11-R73 PolarHBondContact O-NH1 3.07Å |
| 12 | D | 53.1 | Low | 63.1 | Low | 92 Ų | 92 | 96.2 Ų | 96.2 | 49% | 0.492 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -24.2 | 176.6 | -166.3 | -106.8 | 0 | 0 | 0 | 112.9 | N10 R73 | N10-D12 PolarHBondContact O-N 3.36Å; D12-R73 PolarHBondContact O-NH1 2.76Å; D12-R73 PolarHBondContact O-NH2 3.18Å |
| 13 | I | 60.1 | Low | 65.2 | Low | 89 Ų | 89 | 89.7 Ų | 89.7 | 46% | 0.456 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -33.4 | -174.6 | -56 | -175.9 | 0 | 0 | 0 | 112.6 | S9 N10 P15 M67 | S9-I13 WeakPolarHBondContact O-CD1 3.29Å; N10-I13 PolarHBondContact O-N 3.49Å; I13-P15 WeakPolarHBondContact O-CD 3.14Å; I13-M67 WeakPolarHBondContact O-CE 2.99Å |
| 14 | N | 69.3 | Low | 66.8 | Low | 63 Ų | 63 | 86.7 Ų | 86.7 | 34% | 0.337 | 45% | 0.445 | S | S | . | . | trans | -113.9 | 98.3 | -175.1 | -89.4 | -52.4 | 0 | 0 | 0 | 111 | N10 C16 L17 | N10-N14 PolarHBondContact O-N 2.97Å; N10-N14 PolarHBondContact OD1-ND2 3.48Å; N14-C16 PolarHBondContact O-N 3.25Å; N14-C16 VanDerWaalsContact O-N 3.08Å; N14-L17 HydrophobicContact CB-CD1 3.76Å; N14-L17 HydrophobicContact CB-CG 3.83Å; N14-L17 WeakPolarHBondContact O-CD1 3.43Å; N14-L17 PolarHBondContact O-N 3.49Å | ||
| 15 | P | 76.6 | Confident | 68.7 | Low | 29 Ų | 29 | 89.7 Ų | 89.7 | 19% | 0.188 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -4.9 | -179.5 | 33.9 | -40.2 | 0 | 0 | 0 | 113.8 | I13 W51 | I13-P15 WeakPolarHBondContact O-CD 3.14Å; P15-W51 HydrophobicContact CB-CD2 3.9Å; P15-W51 HydrophobicContact CB-CG 3.96Å; P15-W51 HydrophobicContact CB-CZ2 4.15Å; P15-W51 HydrophobicContact CG-CB 4.01Å; P15-W51 HydrophobicContact CG-CD2 3.82Å; P15-W51 HydrophobicContact CG-CG 3.4Å; P15-W51 VanDerWaalsContact CG-CG 3.4Å |
| 16 | C | 83.9 | Confident | 70.8 | Confident | 3 Ų | 3 | 85.7 Ų | 85.7 | 2% | 0.02 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 23.2 | 179.3 | -50.1 | 0 | 0 | 0 | 0 | 112.9 | N14 E19 S20 Y44 C47 R48 | N14-C16 PolarHBondContact O-N 3.25Å; N14-C16 VanDerWaalsContact O-N 3.08Å; C16-E19 PolarHBondContact O-N 2.88Å; C16-S20 PolarHBondContact O-N 3.33Å; C16-S20 PolarHBondContact O-OG 3.35Å; C16-Y44 HydrophobicContact CB-CD2 3.71Å; C16-Y44 HydrophobicContact CB-CE2 3.64Å; C16-C47 WeakPolarHBondContact CA-SG 3.3Å; C16-C47 HydrophobicContact CB-CB 3.77Å; C16-C47 WeakPolarHBondContact CB-SG 3.05Å; C16-C47 WeakPolarHBondContact SG-CB 3.18Å; C16-C47 CovalentContact SG-SG 2.02Å; C16-C47 PolarHBondContact SG-SG 3.35Å; C16-R48 PolarHBondContact SG-N 3.15Å |
| 17 | L | 82.4 | Confident | 72.7 | Confident | 55 Ų | 55 | 75.3 Ų | 75.3 | 29% | 0.288 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | -178 | -102.6 | 155.6 | 0 | 0 | 0 | 113.2 | N10 Q11 N14 E19 S20 D21 | N10-L17 HydrophobicContact CB-CD1 3.69Å; N10-L17 HydrophobicContact CB-CD2 4.5Å; N10-L17 WeakPolarHBondContact O-CD1 3.32Å; Q11-L17 HydrophobicContact CB-CD1 4.49Å; Q11-L17 HydrophobicContact CG-CD1 4.19Å; Q11-L17 VanDerWaalsContact N-CD1 3.32Å; N14-L17 HydrophobicContact CB-CD1 3.76Å; N14-L17 HydrophobicContact CB-CG 3.83Å; N14-L17 WeakPolarHBondContact O-CD1 3.43Å; N14-L17 PolarHBondContact O-N 3.49Å; L17-E19 VanDerWaalsContact C-N 3.27Å; L17-E19 PolarHBondContact O-N 3.19Å; L17-S20 WeakPolarHBondContact O-CB 3.37Å; L17-S20 PolarHBondContact O-N 2.86Å; L17-S20 VanDerWaalsContact O-N 3.16Å; L17-D21 WeakPolarHBondContact O-CB 3.29Å; L17-D21 PolarHBondContact O-N 3.09Å |
| 18 | E | 82.4 | Confident | 74.8 | Confident | 128 Ų | 128 | 72.6 Ų | 72.6 | 60% | 0.598 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -59.6 | -40 | 177.3 | -69.9 | -177.7 | 77.4 | 0 | 0 | 111.8 | S20 D21 A22 K83 | E18-S20 VanDerWaalsContact C-N 3.35Å; E18-D21 PolarHBondContact O-N 3.03Å; E18-A22 WeakPolarHBondContact O-CB 3.49Å; E18-A22 PolarHBondContact O-N 2.65Å; E18-K83 IonicContact OE1-NZ 2.62Å; E18-K83 PolarHBondContact OE1-NZ 3.28Å; E18-K83 IonicContact OE2-NZ 2.97Å; E18-K83 PolarHBondContact OE2-NZ 3.06Å |
| 19 | E | 84.5 | Confident | 76.9 | Confident | 12 Ų | 12 | 69.6 Ų | 69.6 | 6% | 0.056 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -71.5 | -32.8 | 178.4 | -62.9 | -70.6 | 70.9 | 0 | 0 | 112.2 | C16 L17 S23 R43 Y44 Y85 | C16-E19 PolarHBondContact O-N 2.88Å; L17-E19 VanDerWaalsContact C-N 3.27Å; L17-E19 PolarHBondContact O-N 3.19Å; E19-S23 WeakPolarHBondContact O-CB 3.26Å; E19-S23 PolarHBondContact O-N 3.48Å; E19-S23 PolarHBondContact O-OG 3.46Å; E19-R43 WeakPolarHBondContact OE2-CB 2.98Å; E19-R43 VanDerWaalsContact OE2-CD 3.3Å; E19-R43 WeakPolarHBondContact OE2-CD 3.37Å; E19-R43 WeakPolarHBondContact OE2-CG 3.41Å; E19-Y44 HydrophobicContact CB-CD2 4.3Å; E19-Y85 HydrophobicContact CG-CD2 3.83Å; E19-Y85 HydrophobicContact CG-CE2 3.52Å; E19-Y85 VanDerWaalsContact OE2-CD2 3.27Å; E19-Y85 WeakPolarHBondContact OE2-CD2 3.37Å |
| 20 | S | 84.7 | Confident | 78.8 | Confident | 28 Ų | 28 | 67.2 Ų | 67.2 | 20% | 0.196 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66 | -45 | 173.3 | -52.2 | 0 | 0 | 0 | 0 | 110.7 | C16 L17 E18 S23 H24 Y44 | C16-S20 PolarHBondContact O-N 3.33Å; C16-S20 PolarHBondContact O-OG 3.35Å; L17-S20 WeakPolarHBondContact O-CB 3.37Å; L17-S20 PolarHBondContact O-N 2.86Å; L17-S20 VanDerWaalsContact O-N 3.16Å; E18-S20 VanDerWaalsContact C-N 3.35Å; S20-S23 PolarHBondContact O-N 2.93Å; S20-H24 PolarHBondContact O-N 3.38Å; S20-Y44 WeakPolarHBondContact OG-CD2 3.06Å; S20-Y44 WeakPolarHBondContact OG-CE2 3.44Å |
| 21 | D | 86.6 | Confident | 80.4 | Confident | 109 Ų | 109 | 71 Ų | 71 | 58% | 0.583 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -63.2 | -46.4 | 176.8 | -174.3 | -98.8 | 0 | 0 | 0 | 111 | L17 E18 S23 H24 K25 | L17-D21 WeakPolarHBondContact O-CB 3.29Å; L17-D21 PolarHBondContact O-N 3.09Å; E18-D21 PolarHBondContact O-N 3.03Å; D21-S23 VanDerWaalsContact C-N 3.31Å; D21-S23 PolarHBondContact O-N 2.84Å; D21-H24 PolarHBondContact O-N 2.87Å; D21-K25 WeakPolarHBondContact O-CB 3.3Å; D21-K25 PolarHBondContact O-N 3.21Å |
| 22 | A | 86.1 | Confident | 81.9 | Confident | 24 Ų | 24 | 70.9 Ų | 70.9 | 20% | 0.198 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60 | -40.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E18 K25 C26 Y40 | E18-A22 WeakPolarHBondContact O-CB 3.49Å; E18-A22 PolarHBondContact O-N 2.65Å; A22-K25 PolarHBondContact O-N 3.04Å; A22-C26 WeakPolarHBondContact O-CB 3.48Å; A22-C26 PolarHBondContact O-N 2.98Å; A22-Y40 HydrophobicContact CB-CD1 3.78Å; A22-Y40 HydrophobicContact CB-CE1 4.08Å |
| 23 | S | 86.1 | Confident | 83.3 | Confident | 4 Ų | 4 | 69.6 Ų | 69.6 | 3% | 0.028 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 175 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | E19 S20 D21 C26 L27 Y40 | E19-S23 WeakPolarHBondContact O-CB 3.26Å; E19-S23 PolarHBondContact O-N 3.48Å; E19-S23 PolarHBondContact O-OG 3.46Å; S20-S23 PolarHBondContact O-N 2.93Å; D21-S23 VanDerWaalsContact C-N 3.31Å; D21-S23 PolarHBondContact O-N 2.84Å; S23-C26 PolarHBondContact O-N 2.89Å; S23-L27 WeakPolarHBondContact O-CG 3.14Å; S23-L27 PolarHBondContact O-N 2.9Å; S23-Y40 WeakPolarHBondContact OG-CB 3.48Å; S23-Y40 PolarHBondContact OG-O 3.46Å |
| 24 | H | 86.2 | Confident | 84.3 | Confident | 129 Ų | 129 | 74.2 Ų | 74.2 | 60% | 0.597 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -64.5 | -41.4 | 176.4 | -74.6 | 154.7 | 0 | 0 | 0 | 112.2 | S20 D21 C26 L27 D28 | S20-H24 PolarHBondContact O-N 3.38Å; D21-H24 PolarHBondContact O-N 2.87Å; H24-C26 VanDerWaalsContact C-N 3.31Å; H24-C26 PolarHBondContact O-N 2.69Å; H24-L27 WeakPolarHBondContact O-CB 3.37Å; H24-L27 PolarHBondContact O-N 3.31Å; H24-D28 PolarHBondContact O-N 3.21Å |
| 25 | K | 88.9 | Confident | 85 | Confident | 143 Ų | 143 | 76.1 Ų | 76.1 | 62% | 0.622 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.6 | -39.8 | 176.1 | -171.2 | 174.5 | -177.6 | 177.4 | 0 | 111.7 | D21 A22 D28 T29 | D21-K25 WeakPolarHBondContact O-CB 3.3Å; D21-K25 PolarHBondContact O-N 3.21Å; A22-K25 PolarHBondContact O-N 3.04Å; K25-D28 PolarHBondContact O-N 2.89Å; K25-T29 WeakPolarHBondContact O-CG2 3.38Å; K25-T29 PolarHBondContact O-N 3.31Å; K25-T29 VanDerWaalsContact O-N 3.14Å; K25-T29 PolarHBondContact O-OG1 3.08Å |
| 26 | C | 89.1 | Confident | 85.4 | Confident | 13 Ų | 13 | 81.8 Ų | 81.8 | 9% | 0.088 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 173.7 | -179.3 | 0 | 0 | 0 | 0 | 111.8 | A22 S23 H24 D28 T29 C30 C37 Y40 | A22-C26 WeakPolarHBondContact O-CB 3.48Å; A22-C26 PolarHBondContact O-N 2.98Å; S23-C26 PolarHBondContact O-N 2.89Å; H24-C26 VanDerWaalsContact C-N 3.31Å; H24-C26 PolarHBondContact O-N 2.69Å; C26-D28 VanDerWaalsContact C-N 3.32Å; C26-D28 PolarHBondContact O-N 3.36Å; C26-T29 PolarHBondContact O-N 2.92Å; C26-T29 PolarHBondContact O-OG1 2.62Å; C26-T29 VanDerWaalsContact O-OG1 3.11Å; C26-C30 WeakPolarHBondContact O-CB 3.49Å; C26-C30 PolarHBondContact O-N 3.46Å; C26-C30 PolarHBondContact O-SG 3.36Å; C26-C30 VanDerWaalsContact O-SG 3.36Å; C26-C37 HydrophobicContact CB-CB 3.81Å; C26-C37 WeakPolarHBondContact CB-SG 3.48Å; C26-C37 PolarHBondContact O-SG 3.42Å; C26-C37 VanDerWaalsContact O-SG 3.34Å; C26-C37 WeakPolarHBondContact SG-CA 3.39Å; C26-C37 WeakPolarHBondContact SG-CB 3.39Å; C26-C37 CovalentContact SG-SG 2.03Å; C26-C37 PolarHBondContact SG-SG 2.95Å; C26-Y40 HydrophobicContact CB-CD2 3.61Å; C26-Y40 HydrophobicContact CB-CE2 3.72Å; C26-Y40 HydrophobicContact CB-CG 4.27Å; C26-Y40 VanDerWaalsContact SG-CD2 3.58Å; C26-Y40 VanDerWaalsContact SG-CE2 3.6Å |
| 27 | L | 88 | Confident | 85.6 | Confident | 16 Ų | 16 | 81.7 Ų | 81.7 | 8% | 0.084 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 176.4 | -72.5 | 172.1 | 0 | 0 | 0 | 111.6 | S23 H24 T29 C30 N31 Y32 R34 C37 F41 | S23-L27 WeakPolarHBondContact O-CG 3.14Å; S23-L27 PolarHBondContact O-N 2.9Å; H24-L27 WeakPolarHBondContact O-CB 3.37Å; H24-L27 PolarHBondContact O-N 3.31Å; L27-T29 PolarHBondContact O-N 3.22Å; L27-C30 PolarHBondContact O-N 2.97Å; L27-N31 PolarHBondContact O-N 3.31Å; L27-Y32 HydrophobicContact CB-CD1 4.22Å; L27-Y32 WeakPolarHBondContact O-CA 3.44Å; L27-Y32 PolarHBondContact O-N 3.44Å; L27-R34 HydrophobicContact CD2-CG 4.12Å; L27-C37 PolarHBondContact N-SG 3.2Å; L27-F41 HydrophobicContact CD1-CZ 3.89Å; L27-F41 HydrophobicContact CD2-CE2 4.29Å; L27-F41 HydrophobicContact CD2-CZ 4Å; L27-F41 HydrophobicContact CG-CZ 4.04Å |
| 28 | D | 89.2 | Confident | 85.8 | Confident | 114 Ų | 114 | 81.8 Ų | 81.8 | 61% | 0.61 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -58.7 | -46.5 | 177.7 | -175.8 | -105.4 | 0 | 0 | 0 | 111.6 | H24 K25 C26 | H24-D28 PolarHBondContact O-N 3.21Å; K25-D28 PolarHBondContact O-N 2.89Å; C26-D28 VanDerWaalsContact C-N 3.32Å; C26-D28 PolarHBondContact O-N 3.36Å |
| 29 | T | 88.9 | Confident | 86 | Confident | 95 Ų | 95 | 78.4 Ų | 78.4 | 58% | 0.583 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -75.9 | -26.2 | 179.5 | 63.3 | 0 | 0 | 0 | 0 | 113.9 | K25 C26 L27 | K25-T29 WeakPolarHBondContact O-CG2 3.38Å; K25-T29 PolarHBondContact O-N 3.31Å; K25-T29 VanDerWaalsContact O-N 3.14Å; K25-T29 PolarHBondContact O-OG1 3.08Å; C26-T29 PolarHBondContact O-N 2.92Å; C26-T29 PolarHBondContact O-OG1 2.62Å; C26-T29 VanDerWaalsContact O-OG1 3.11Å; L27-T29 PolarHBondContact O-N 3.22Å |
| 30 | C | 85 | Confident | 86.1 | Confident | 27 Ų | 27 | 82.2 Ų | 82.2 | 18% | 0.182 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 17.4 | -176.5 | -66.6 | 0 | 0 | 0 | 0 | 113.8 | C26 L27 Y32 D33 K36 | C26-C30 WeakPolarHBondContact O-CB 3.49Å; C26-C30 PolarHBondContact O-N 3.46Å; C26-C30 PolarHBondContact O-SG 3.36Å; C26-C30 VanDerWaalsContact O-SG 3.36Å; L27-C30 PolarHBondContact O-N 2.97Å; C30-Y32 PolarHBondContact O-N 3.28Å; C30-D33 HydrophobicContact CB-CB 4.28Å; C30-D33 WeakPolarHBondContact O-CB 3.13Å; C30-D33 PolarHBondContact O-N 2.81Å; C30-K36 HydrophobicContact CB-CB 4.27Å; C30-K36 HydrophobicContact CB-CD 4.17Å |
| 31 | N | 86.4 | Confident | 86.1 | Confident | 150 Ų | 150 | 83.7 Ų | 83.7 | 80% | 0.802 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.8 | 38.9 | -175.9 | -65.5 | -87.6 | 0 | 0 | 0 | 112.9 | L27 D33 | L27-N31 PolarHBondContact O-N 3.31Å; N31-D33 PolarHBondContact O-N 3.43Å |
| 32 | Y | 81.5 | Confident | 86.2 | Confident | 166 Ų | 166 | 83.8 Ų | 83.8 | 65% | 0.651 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.9 | 20 | -177.1 | -66 | -104.5 | 0 | 0 | 0 | 114.8 | L27 C30 R34 | L27-Y32 HydrophobicContact CB-CD1 4.22Å; L27-Y32 WeakPolarHBondContact O-CA 3.44Å; L27-Y32 PolarHBondContact O-N 3.44Å; C30-Y32 PolarHBondContact O-N 3.28Å; Y32-R34 PolarHBondContact O-N 3.43Å |
| 33 | D | 84 | Confident | 86.3 | Confident | 64 Ų | 64 | 88.1 Ų | 88.1 | 34% | 0.342 | 43% | 0.434 | S | S | . | . | trans | -69.8 | 101.6 | 173.1 | -165.4 | -73.5 | 0 | 0 | 0 | 110.7 | C30 N31 S35 K36 | C30-D33 HydrophobicContact CB-CB 4.28Å; C30-D33 WeakPolarHBondContact O-CB 3.13Å; C30-D33 PolarHBondContact O-N 2.81Å; N31-D33 PolarHBondContact O-N 3.43Å; D33-S35 PolarHBondContact O-N 3.4Å; D33-S35 VanDerWaalsContact OD1-CB 3.32Å; D33-S35 WeakPolarHBondContact OD1-CB 3.35Å; D33-S35 PolarHBondContact OD1-N 3.43Å; D33-S35 VanDerWaalsContact OD1-N 3.13Å; D33-K36 HydrophobicContact CB-CD 4.22Å; D33-K36 HydrophobicContact CB-CG 4.39Å; D33-K36 PolarHBondContact O-N 3.39Å; D33-K36 PolarHBondContact OD1-N 2.85Å; D33-K36 VanDerWaalsContact OD1-N 3.11Å | ||
| 34 | R | 81.3 | Confident | 86.3 | Confident | 187 Ų | 187 | 90.9 Ų | 90.9 | 71% | 0.706 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -26.8 | -177.3 | -63.7 | -175.8 | 177.8 | 101.9 | -0 | 112.8 | L27 Y32 C37 S38 F41 | L27-R34 HydrophobicContact CD2-CG 4.12Å; Y32-R34 PolarHBondContact O-N 3.43Å; R34-C37 CarbonylContact O-C 3.59Å; R34-C37 PolarHBondContact O-N 3.02Å; R34-S38 PolarHBondContact O-N 2.8Å; R34-S38 VanDerWaalsContact O-N 3.15Å; R34-F41 HydrophobicContact CB-CE2 4.28Å; R34-F41 HydrophobicContact CG-CE2 4.47Å |
| 35 | S | 84.3 | Confident | 86.4 | Confident | 103 Ų | 103 | 91.5 Ų | 91.5 | 72% | 0.72 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -41.4 | -177.8 | -58.3 | 0 | 0 | 0 | 0 | 110.7 | D33 C37 S38 | D33-S35 PolarHBondContact O-N 3.4Å; D33-S35 VanDerWaalsContact OD1-CB 3.32Å; D33-S35 WeakPolarHBondContact OD1-CB 3.35Å; D33-S35 PolarHBondContact OD1-N 3.43Å; D33-S35 VanDerWaalsContact OD1-N 3.13Å; S35-C37 VanDerWaalsContact C-N 3.27Å; S35-C37 PolarHBondContact O-N 3.39Å; S35-S38 WeakPolarHBondContact O-CB 3.34Å; S35-S38 PolarHBondContact O-N 2.96Å |
| 36 | K | 82.9 | Confident | 86.5 | Confident | 148 Ų | 148 | 88.3 Ų | 88.3 | 64% | 0.643 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -31.3 | 175.7 | -68 | 179.5 | -177.1 | 176.8 | 0 | 113 | C30 D33 | C30-K36 HydrophobicContact CB-CB 4.27Å; C30-K36 HydrophobicContact CB-CD 4.17Å; D33-K36 HydrophobicContact CB-CD 4.22Å; D33-K36 HydrophobicContact CB-CG 4.39Å; D33-K36 PolarHBondContact O-N 3.39Å; D33-K36 PolarHBondContact OD1-N 2.85Å; D33-K36 VanDerWaalsContact OD1-N 3.11Å |
| 37 | C | 88.5 | Confident | 86.4 | Confident | 0 Ų | 0 | 87.7 Ų | 87.7 | 0% | 0 | 43% | 0.43 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | 8 | -177.9 | -55.9 | 0 | 0 | 0 | 0 | 114.3 | C26 L27 R34 S35 A39 Y40 F41 | C26-C37 HydrophobicContact CB-CB 3.81Å; C26-C37 WeakPolarHBondContact CB-SG 3.48Å; C26-C37 PolarHBondContact O-SG 3.42Å; C26-C37 VanDerWaalsContact O-SG 3.34Å; C26-C37 WeakPolarHBondContact SG-CA 3.39Å; C26-C37 WeakPolarHBondContact SG-CB 3.39Å; C26-C37 CovalentContact SG-SG 2.03Å; C26-C37 PolarHBondContact SG-SG 2.95Å; L27-C37 PolarHBondContact N-SG 3.2Å; R34-C37 CarbonylContact O-C 3.59Å; R34-C37 PolarHBondContact O-N 3.02Å; S35-C37 VanDerWaalsContact C-N 3.27Å; S35-C37 PolarHBondContact O-N 3.39Å; C37-A39 PolarHBondContact O-N 3.38Å; C37-A39 VanDerWaalsContact O-N 3.15Å; C37-Y40 HydrophobicContact CB-CD2 4.36Å; C37-Y40 WeakPolarHBondContact O-CB 3.2Å; C37-Y40 PolarHBondContact O-N 3.22Å; C37-F41 HydrophobicContact CB-CD2 4.21Å; C37-F41 HydrophobicContact CB-CE2 3.76Å; C37-F41 WeakPolarHBondContact O-CD2 2.97Å; C37-F41 PolarHBondContact O-N 2.86Å |
| 38 | S | 86.3 | Confident | 86.4 | Confident | 57 Ų | 57 | 94.3 Ų | 94.3 | 40% | 0.399 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -52.2 | -39.4 | -177.7 | -172.3 | 0 | 0 | 0 | 0 | 112.8 | R34 S35 Y40 F41 Q42 | R34-S38 PolarHBondContact O-N 2.8Å; R34-S38 VanDerWaalsContact O-N 3.15Å; S35-S38 WeakPolarHBondContact O-CB 3.34Å; S35-S38 PolarHBondContact O-N 2.96Å; S38-Y40 PolarHBondContact O-N 3.03Å; S38-F41 PolarHBondContact O-N 3.49Å; S38-Q42 WeakPolarHBondContact O-CG 3.33Å; S38-Q42 PolarHBondContact O-N 3.45Å |
| 39 | A | 86.8 | Confident | 86.4 | Confident | 58 Ų | 58 | 96.5 Ų | 96.5 | 48% | 0.479 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.6 | -44.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | C37 Q42 R43 | C37-A39 PolarHBondContact O-N 3.38Å; C37-A39 VanDerWaalsContact O-N 3.15Å; A39-Q42 PolarHBondContact O-N 3.18Å; A39-R43 VanDerWaalsContact O-CB 3.32Å; A39-R43 WeakPolarHBondContact O-CB 3.32Å; A39-R43 PolarHBondContact O-N 2.93Å |
| 40 | Y | 86.8 | Confident | 86.4 | Confident | 91 Ų | 91 | 94.6 Ų | 94.6 | 36% | 0.357 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67 | -38.2 | 177.4 | -63.9 | -81.4 | 0 | 0 | 0 | 111.9 | A22 S23 C26 C37 S38 R43 Y44 | A22-Y40 HydrophobicContact CB-CD1 3.78Å; A22-Y40 HydrophobicContact CB-CE1 4.08Å; S23-Y40 WeakPolarHBondContact OG-CB 3.48Å; S23-Y40 PolarHBondContact OG-O 3.46Å; C26-Y40 HydrophobicContact CB-CD2 3.61Å; C26-Y40 HydrophobicContact CB-CE2 3.72Å; C26-Y40 HydrophobicContact CB-CG 4.27Å; C26-Y40 VanDerWaalsContact SG-CD2 3.58Å; C26-Y40 VanDerWaalsContact SG-CE2 3.6Å; C37-Y40 HydrophobicContact CB-CD2 4.36Å; C37-Y40 WeakPolarHBondContact O-CB 3.2Å; C37-Y40 PolarHBondContact O-N 3.22Å; S38-Y40 PolarHBondContact O-N 3.03Å; Y40-R43 WeakPolarHBondContact O-CB 3.3Å; Y40-R43 PolarHBondContact O-N 3.33Å; Y40-Y44 PolarHBondContact O-N 2.9Å |
| 41 | F | 85.9 | Confident | 86.5 | Confident | 59 Ų | 59 | 93.5 Ų | 93.5 | 26% | 0.259 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.1 | -38.7 | 174.4 | -67.1 | -62.9 | 0 | 0 | 0 | 112.9 | L27 R34 C37 S38 R43 Y44 K45 | L27-F41 HydrophobicContact CD1-CZ 3.89Å; L27-F41 HydrophobicContact CD2-CE2 4.29Å; L27-F41 HydrophobicContact CD2-CZ 4Å; L27-F41 HydrophobicContact CG-CZ 4.04Å; R34-F41 HydrophobicContact CB-CE2 4.28Å; R34-F41 HydrophobicContact CG-CE2 4.47Å; C37-F41 HydrophobicContact CB-CD2 4.21Å; C37-F41 HydrophobicContact CB-CE2 3.76Å; C37-F41 WeakPolarHBondContact O-CD2 2.97Å; C37-F41 PolarHBondContact O-N 2.86Å; S38-F41 PolarHBondContact O-N 3.49Å; F41-R43 VanDerWaalsContact C-N 3.33Å; F41-Y44 PolarHBondContact O-N 3.33Å; F41-K45 WeakPolarHBondContact O-CB 3.45Å; F41-K45 VanDerWaalsContact O-CG 3.32Å; F41-K45 WeakPolarHBondContact O-CG 3.48Å; F41-K45 PolarHBondContact O-N 2.02Å |
| 42 | Q | 88.8 | Confident | 86.6 | Confident | 111 Ų | 111 | 91.9 Ų | 91.9 | 52% | 0.519 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 174.8 | -75.5 | -178.7 | -79.4 | 0 | 0 | 110.6 | S38 A39 K45 N46 | S38-Q42 WeakPolarHBondContact O-CG 3.33Å; S38-Q42 PolarHBondContact O-N 3.45Å; A39-Q42 PolarHBondContact O-N 3.18Å; Q42-K45 WeakPolarHBondContact O-CB 3.24Å; Q42-K45 PolarHBondContact O-N 2.67Å; Q42-N46 WeakPolarHBondContact O-CB 3.32Å; Q42-N46 PolarHBondContact O-N 3Å; Q42-N46 PolarHBondContact O-ND2 3.2Å; Q42-N46 PolarHBondContact O-OD1 2.96Å |
| 43 | R | 87.8 | Confident | 87 | Confident | 116 Ų | 116 | 88.4 Ų | 88.4 | 44% | 0.438 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -52 | -52.7 | 171.3 | -104.8 | 177.3 | -169.9 | -155.4 | 5.4 | 113.8 | E19 A39 Y40 F41 K45 N46 C47 Y85 | E19-R43 WeakPolarHBondContact OE2-CB 2.98Å; E19-R43 VanDerWaalsContact OE2-CD 3.3Å; E19-R43 WeakPolarHBondContact OE2-CD 3.37Å; E19-R43 WeakPolarHBondContact OE2-CG 3.41Å; A39-R43 VanDerWaalsContact O-CB 3.32Å; A39-R43 WeakPolarHBondContact O-CB 3.32Å; A39-R43 PolarHBondContact O-N 2.93Å; Y40-R43 WeakPolarHBondContact O-CB 3.3Å; Y40-R43 PolarHBondContact O-N 3.33Å; F41-R43 VanDerWaalsContact C-N 3.33Å; R43-K45 PolarHBondContact O-N 2.7Å; R43-N46 PolarHBondContact O-N 2.89Å; R43-C47 PolarHBondContact O-N 3.44Å; R43-Y85 WeakPolarHBondContact CG-OXT 3.46Å |
| 44 | Y | 86.6 | Confident | 87.2 | Confident | 62 Ų | 62 | 86.7 Ų | 86.7 | 24% | 0.243 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.2 | -42.8 | 174.3 | 176.7 | -104.3 | 0 | 0 | 0 | 112.9 | C16 E19 S20 Y40 F41 C47 R48 | C16-Y44 HydrophobicContact CB-CD2 3.71Å; C16-Y44 HydrophobicContact CB-CE2 3.64Å; E19-Y44 HydrophobicContact CB-CD2 4.3Å; S20-Y44 WeakPolarHBondContact OG-CD2 3.06Å; S20-Y44 WeakPolarHBondContact OG-CE2 3.44Å; Y40-Y44 PolarHBondContact O-N 2.9Å; F41-Y44 PolarHBondContact O-N 3.33Å; Y44-C47 PolarHBondContact O-N 3.06Å; Y44-R48 HydrophobicContact CE1-CG 4.33Å; Y44-R48 HydrophobicContact CE2-CG 4.34Å; Y44-R48 PolarHBondContact O-N 3.12Å |
| 45 | K | 88.1 | Confident | 87.5 | Confident | 142 Ų | 142 | 80.5 Ų | 80.5 | 62% | 0.617 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -63.7 | -42.4 | 176.2 | -74.7 | 175.6 | -178.8 | 179.8 | 0 | 111.9 | F41 Q42 R43 R48 K49 | F41-K45 WeakPolarHBondContact O-CB 3.45Å; F41-K45 VanDerWaalsContact O-CG 3.32Å; F41-K45 WeakPolarHBondContact O-CG 3.48Å; F41-K45 PolarHBondContact O-N 2.02Å; Q42-K45 WeakPolarHBondContact O-CB 3.24Å; Q42-K45 PolarHBondContact O-N 2.67Å; R43-K45 PolarHBondContact O-N 2.7Å; K45-R48 PolarHBondContact O-N 2.84Å; K45-K49 WeakPolarHBondContact O-CB 3.18Å; K45-K49 PolarHBondContact O-N 3.1Å |
| 46 | N | 89.6 | Confident | 87.9 | Confident | 75 Ų | 75 | 77.6 Ų | 77.6 | 40% | 0.401 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 178.3 | -71.1 | -14.6 | 0 | 0 | 0 | 110.7 | Q42 R43 R48 K49 Y50 Y85 | Q42-N46 WeakPolarHBondContact O-CB 3.32Å; Q42-N46 PolarHBondContact O-N 3Å; Q42-N46 PolarHBondContact O-ND2 3.2Å; Q42-N46 PolarHBondContact O-OD1 2.96Å; R43-N46 PolarHBondContact O-N 2.89Å; N46-R48 PolarHBondContact O-N 3.36Å; N46-K49 PolarHBondContact O-N 2.84Å; N46-Y50 WeakPolarHBondContact O-CB 3.27Å; N46-Y50 PolarHBondContact O-N 3.25Å; N46-Y85 VanDerWaalsContact CB-CB 3.44Å |
| 47 | C | 88.7 | Confident | 88.2 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -56.7 | -51.9 | 173.4 | 177.3 | 0 | 0 | 0 | 0 | 111.6 | C16 R43 Y44 K49 Y50 W51 Y85 | C16-C47 WeakPolarHBondContact CA-SG 3.3Å; C16-C47 HydrophobicContact CB-CB 3.77Å; C16-C47 WeakPolarHBondContact CB-SG 3.05Å; C16-C47 WeakPolarHBondContact SG-CB 3.18Å; C16-C47 CovalentContact SG-SG 2.02Å; C16-C47 PolarHBondContact SG-SG 3.35Å; R43-C47 PolarHBondContact O-N 3.44Å; Y44-C47 PolarHBondContact O-N 3.06Å; C47-K49 VanDerWaalsContact C-N 3.28Å; C47-K49 PolarHBondContact O-N 3Å; C47-Y50 PolarHBondContact O-N 3.4Å; C47-W51 PolarHBondContact O-N 3.38Å; C47-W51 VanDerWaalsContact O-N 3.08Å; C47-W51 VanDerWaalsContact SG-CD1 3.53Å; C47-Y85 VanDerWaalsContact CA-CD1 3.47Å; C47-Y85 HydrophobicContact CB-CD1 3.6Å; C47-Y85 HydrophobicContact CB-CD2 3.77Å; C47-Y85 HydrophobicContact CB-CE1 3.65Å; C47-Y85 HydrophobicContact CB-CE2 3.79Å; C47-Y85 HydrophobicContact CB-CG 3.66Å; C47-Y85 VanDerWaalsContact SG-CE1 3.6Å |
| 48 | R | 86.8 | Confident | 88.3 | Confident | 156 Ų | 156 | 77 Ų | 77 | 59% | 0.589 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -59.5 | -40.1 | 177.8 | -80 | -131.5 | -67.9 | 168.7 | -3.8 | 112.2 | C16 Y44 K45 N46 H52 | C16-R48 PolarHBondContact SG-N 3.15Å; Y44-R48 HydrophobicContact CE1-CG 4.33Å; Y44-R48 HydrophobicContact CE2-CG 4.34Å; Y44-R48 PolarHBondContact O-N 3.12Å; K45-R48 PolarHBondContact O-N 2.84Å; N46-R48 PolarHBondContact O-N 3.36Å; R48-H52 WeakPolarHBondContact O-CB 2.95Å; R48-H52 PolarHBondContact O-N 3.13Å |
| 49 | K | 89.6 | Confident | 88.5 | Confident | 159 Ų | 159 | 82.3 Ų | 82.3 | 69% | 0.691 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64.6 | -42 | 178.8 | -172.8 | 177.3 | 179.6 | -178.2 | 0 | 111.8 | K45 N46 C47 H52 N53 | K45-K49 WeakPolarHBondContact O-CB 3.18Å; K45-K49 PolarHBondContact O-N 3.1Å; N46-K49 PolarHBondContact O-N 2.84Å; C47-K49 VanDerWaalsContact C-N 3.28Å; C47-K49 PolarHBondContact O-N 3Å; K49-H52 PolarHBondContact O-N 3.33Å; K49-N53 PolarHBondContact O-N 2.99Å |
| 50 | Y | 88.9 | Confident | 88.7 | Confident | 55 Ų | 55 | 88.6 Ų | 88.6 | 22% | 0.216 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.9 | -55.6 | 177.1 | 179.1 | -96.4 | 0 | 0 | 0 | 111.1 | N46 C47 H52 N53 I54 I80 P84 | N46-Y50 WeakPolarHBondContact O-CB 3.27Å; N46-Y50 PolarHBondContact O-N 3.25Å; C47-Y50 PolarHBondContact O-N 3.4Å; Y50-H52 VanDerWaalsContact C-N 3.27Å; Y50-H52 PolarHBondContact O-N 3.15Å; Y50-N53 WeakPolarHBondContact O-CB 3.44Å; Y50-N53 PolarHBondContact O-N 3.33Å; Y50-I54 HydrophobicContact CD1-CG1 4.48Å; Y50-I54 HydrophobicContact CE1-CG1 4.05Å; Y50-I54 PolarHBondContact O-N 3.27Å; Y50-I54 VanDerWaalsContact O-N 3.09Å; Y50-I80 HydrophobicContact CE2-CD1 3.88Å; Y50-I80 WeakPolarHBondContact OH-CD1 3.47Å; Y50-P84 HydrophobicContact CD1-CG 4.16Å; Y50-P84 HydrophobicContact CD2-CB 4.35Å; Y50-P84 HydrophobicContact CD2-CG 3.79Å; Y50-P84 HydrophobicContact CE1-CG 4.3Å; Y50-P84 HydrophobicContact CE2-CG 3.94Å; Y50-P84 HydrophobicContact CG-CG 3.92Å |
| 51 | W | 87.3 | Confident | 88.9 | Confident | 5 Ų | 5 | 90.1 Ų | 90.1 | 2% | 0.019 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.7 | -33.8 | 179.3 | -67.2 | 109.6 | 0 | 0 | 0 | 112.9 | P15 C47 N53 I54 M55 P68 R73 M76 L77 | P15-W51 HydrophobicContact CB-CD2 3.9Å; P15-W51 HydrophobicContact CB-CG 3.96Å; P15-W51 HydrophobicContact CB-CZ2 4.15Å; P15-W51 HydrophobicContact CG-CB 4.01Å; P15-W51 HydrophobicContact CG-CD2 3.82Å; P15-W51 HydrophobicContact CG-CG 3.4Å; P15-W51 VanDerWaalsContact CG-CG 3.4Å; C47-W51 PolarHBondContact O-N 3.38Å; C47-W51 VanDerWaalsContact O-N 3.08Å; C47-W51 VanDerWaalsContact SG-CD1 3.53Å; W51-N53 VanDerWaalsContact C-N 3.35Å; W51-I54 PolarHBondContact O-N 2.93Å; W51-M55 WeakPolarHBondContact O-CG 3.22Å; W51-M55 PolarHBondContact O-N 2.73Å; W51-P68 HydrophobicContact CE3-CG 3.56Å; W51-P68 HydrophobicContact CZ3-CB 4.36Å; W51-P68 HydrophobicContact CZ3-CG 3.43Å; W51-P68 VanDerWaalsContact CZ3-CG 3.43Å; W51-R73 HydrophobicContact CE3-CG 4.31Å; W51-R73 HydrophobicContact CH2-CB 3.4Å; W51-R73 VanDerWaalsContact CH2-CB 3.4Å; W51-R73 HydrophobicContact CH2-CG 3.4Å; W51-R73 HydrophobicContact CZ2-CB 3.94Å; W51-R73 HydrophobicContact CZ2-CG 4.04Å; W51-R73 HydrophobicContact CZ3-CB 4.07Å; W51-R73 HydrophobicContact CZ3-CG 3.55Å; W51-M76 HydrophobicContact CH2-CB 4.43Å; W51-M76 HydrophobicContact CH2-SD 4.37Å; W51-M76 HydrophobicContact CZ3-SD 3.86Å; W51-L77 HydrophobicContact CZ2-CD1 4.43Å; W51-L77 HydrophobicContact CZ2-CD2 4.4Å; W51-L77 HydrophobicContact CZ2-CG 4.3Å |
| 52 | H | 88.3 | Confident | 89.2 | Confident | 115 Ų | 115 | 90 Ų | 90 | 53% | 0.532 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 172.9 | -171.8 | 81.3 | 0 | 0 | 0 | 112.2 | R48 K49 Y50 M55 V56 | R48-H52 WeakPolarHBondContact O-CB 2.95Å; R48-H52 PolarHBondContact O-N 3.13Å; K49-H52 PolarHBondContact O-N 3.33Å; Y50-H52 VanDerWaalsContact C-N 3.27Å; Y50-H52 PolarHBondContact O-N 3.15Å; H52-M55 HydrophobicContact CB-CE 4.34Å; H52-M55 PolarHBondContact O-N 2.95Å; H52-V56 VanDerWaalsContact O-CG2 3.29Å; H52-V56 WeakPolarHBondContact O-CG2 3.47Å; H52-V56 PolarHBondContact O-N 3.18Å |
| 53 | N | 89.6 | Confident | 89.1 | Confident | 94 Ų | 94 | 87.8 Ų | 87.8 | 50% | 0.503 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 175.1 | -165.6 | -78.4 | 0 | 0 | 0 | 111.2 | K49 Y50 W51 M55 V56 Q57 | K49-N53 PolarHBondContact O-N 2.99Å; Y50-N53 WeakPolarHBondContact O-CB 3.44Å; Y50-N53 PolarHBondContact O-N 3.33Å; W51-N53 VanDerWaalsContact C-N 3.35Å; N53-M55 PolarHBondContact O-N 3.13Å; N53-V56 PolarHBondContact O-N 3.2Å; N53-Q57 WeakPolarHBondContact O-CG 3.5Å; N53-Q57 PolarHBondContact O-N 3.02Å |
| 54 | I | 88.6 | Confident | 88.9 | Confident | 27 Ų | 27 | 90.9 Ų | 90.9 | 14% | 0.138 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60 | -46.2 | 175.1 | -59.8 | -50.9 | 0 | 0 | 0 | 111.2 | Y50 W51 V56 Q57 R58 P68 M76 | Y50-I54 HydrophobicContact CD1-CG1 4.48Å; Y50-I54 HydrophobicContact CE1-CG1 4.05Å; Y50-I54 PolarHBondContact O-N 3.27Å; Y50-I54 VanDerWaalsContact O-N 3.09Å; W51-I54 PolarHBondContact O-N 2.93Å; I54-V56 VanDerWaalsContact C-N 3.31Å; I54-V56 PolarHBondContact O-N 3.41Å; I54-Q57 PolarHBondContact O-N 2.81Å; I54-R58 HydrophobicContact CG2-CG 4.21Å; I54-R58 WeakPolarHBondContact O-CB 3.32Å; I54-R58 VanDerWaalsContact O-CG 3.3Å; I54-R58 WeakPolarHBondContact O-CG 3.39Å; I54-R58 PolarHBondContact O-N 3.31Å; I54-P68 HydrophobicContact CG2-CG 4.28Å; I54-M76 HydrophobicContact CB-CE 4.32Å; I54-M76 HydrophobicContact CD1-CE 3.41Å; I54-M76 VanDerWaalsContact CD1-CE 3.41Å; I54-M76 HydrophobicContact CG1-CE 3.56Å; I54-M76 HydrophobicContact CG2-CE 3.78Å; I54-M76 HydrophobicContact CG2-SD 4.21Å |
| 55 | M | 88.1 | Confident | 88.7 | Confident | 57 Ų | 57 | 91.7 Ų | 91.7 | 28% | 0.281 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58 | -43.6 | 176 | -77.3 | -172.3 | -77 | 0 | 0 | 111.9 | W51 H52 N53 R58 R59 E66 M67 | W51-M55 WeakPolarHBondContact O-CG 3.22Å; W51-M55 PolarHBondContact O-N 2.73Å; H52-M55 HydrophobicContact CB-CE 4.34Å; H52-M55 PolarHBondContact O-N 2.95Å; N53-M55 PolarHBondContact O-N 3.13Å; M55-R58 PolarHBondContact O-N 3.08Å; M55-R59 VanDerWaalsContact O-CB 3.26Å; M55-R59 WeakPolarHBondContact O-CB 3.46Å; M55-R59 PolarHBondContact O-N 2.8Å; M55-E66 WeakPolarHBondContact CG-O 3.18Å; M55-M67 HydrophobicContact CG-CG 4.1Å; M55-M67 HydrophobicContact SD-CB 4.39Å; M55-M67 HydrophobicContact SD-CG 3.62Å |
| 56 | V | 91.2 | Very high | 88.4 | Confident | 43 Ų | 43 | 88.3 Ų | 88.3 | 26% | 0.261 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.5 | -40.4 | 177.6 | 171.9 | 0 | 0 | 0 | 0 | 111.3 | H52 N53 I54 R59 R60 | H52-V56 VanDerWaalsContact O-CG2 3.29Å; H52-V56 WeakPolarHBondContact O-CG2 3.47Å; H52-V56 PolarHBondContact O-N 3.18Å; N53-V56 PolarHBondContact O-N 3.2Å; I54-V56 VanDerWaalsContact C-N 3.31Å; I54-V56 PolarHBondContact O-N 3.41Å; V56-R59 PolarHBondContact O-N 3.15Å; V56-R60 VanDerWaalsContact O-CG 3.29Å; V56-R60 WeakPolarHBondContact O-CG 3.22Å; V56-R60 PolarHBondContact O-N 3.11Å |
| 57 | Q | 90.3 | Very high | 87.9 | Confident | 96 Ų | 96 | 87 Ų | 87 | 45% | 0.449 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.8 | -49.7 | 175 | -72.6 | -65.6 | -30.9 | 0 | 0 | 111.3 | N53 I54 R59 R60 D61 | N53-Q57 WeakPolarHBondContact O-CG 3.5Å; N53-Q57 PolarHBondContact O-N 3.02Å; I54-Q57 PolarHBondContact O-N 2.81Å; Q57-R59 VanDerWaalsContact C-N 3.31Å; Q57-R59 PolarHBondContact O-N 3.16Å; Q57-R60 WeakPolarHBondContact O-CB 2.93Å; Q57-R60 PolarHBondContact O-N 3.03Å; Q57-R60 VanDerWaalsContact O-N 3.07Å; Q57-D61 PolarHBondContact O-N 2.92Å |
| 58 | R | 89.9 | Confident | 87.7 | Confident | 40 Ų | 40 | 87 Ų | 87 | 15% | 0.151 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61 | -39.4 | 177.8 | -66.9 | -177.7 | 97.8 | 112.7 | 6.6 | 112 | I54 M55 D61 G62 I63 E66 E72 | I54-R58 HydrophobicContact CG2-CG 4.21Å; I54-R58 WeakPolarHBondContact O-CB 3.32Å; I54-R58 VanDerWaalsContact O-CG 3.3Å; I54-R58 WeakPolarHBondContact O-CG 3.39Å; I54-R58 PolarHBondContact O-N 3.31Å; M55-R58 PolarHBondContact O-N 3.08Å; R58-D61 PolarHBondContact O-N 2.72Å; R58-G62 PolarHBondContact O-N 3.45Å; R58-I63 HydrophobicContact CB-CB 4.22Å; R58-I63 PolarHBondContact O-N 3.41Å; R58-E66 WeakPolarHBondContact CD-O 3.35Å; R58-E72 IonicContact CZ-OE1 3.69Å; R58-E72 IonicContact NH1-OE1 2.72Å; R58-E72 PolarHBondContact NH1-OE1 3.43Å; R58-E72 IonicContact NH2-OE1 2.92Å; R58-E72 PolarHBondContact NH2-OE1 2.86Å; R58-E72 IonicContact NH2-OE2 3.22Å |
| 59 | R | 90.1 | Very high | 87.5 | Confident | 167 Ų | 167 | 82.7 Ų | 82.7 | 63% | 0.63 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.6 | -42.8 | 173.1 | 179.4 | -177.7 | -70.4 | -176.5 | -4.2 | 112 | M55 V56 Q57 D61 G62 E66 | M55-R59 VanDerWaalsContact O-CB 3.26Å; M55-R59 WeakPolarHBondContact O-CB 3.46Å; M55-R59 PolarHBondContact O-N 2.8Å; V56-R59 PolarHBondContact O-N 3.15Å; Q57-R59 VanDerWaalsContact C-N 3.31Å; Q57-R59 PolarHBondContact O-N 3.16Å; R59-D61 VanDerWaalsContact C-N 3.32Å; R59-G62 PolarHBondContact O-N 2.87Å; R59-E66 IonicContact CZ-OE1 3.08Å; R59-E66 IonicContact NE-OE1 2.65Å; R59-E66 PolarHBondContact NE-OE1 2.78Å; R59-E66 IonicContact NH2-OE1 2.69Å; R59-E66 PolarHBondContact NH2-OE1 3.05Å; R59-E66 IonicContact NH2-OE2 3.77Å |
| 60 | R | 91.8 | Very high | 87.1 | Confident | 191 Ų | 191 | 77.6 Ų | 77.6 | 72% | 0.721 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -65.6 | -37 | 177.1 | -75.7 | 172.7 | 175.6 | -171.9 | -2.5 | 112.1 | V56 Q57 G62 | V56-R60 VanDerWaalsContact O-CG 3.29Å; V56-R60 WeakPolarHBondContact O-CG 3.22Å; V56-R60 PolarHBondContact O-N 3.11Å; Q57-R60 WeakPolarHBondContact O-CB 2.93Å; Q57-R60 PolarHBondContact O-N 3.03Å; Q57-R60 VanDerWaalsContact O-N 3.07Å; R60-G62 PolarHBondContact O-N 3.26Å |
| 61 | D | 92.1 | Very high | 86.8 | Confident | 123 Ų | 123 | 78.4 Ų | 78.4 | 66% | 0.658 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -77.3 | -9.3 | 177.2 | -153.9 | -109.7 | 0 | 0 | 0 | 112.9 | Q57 R58 R59 I63 | Q57-D61 PolarHBondContact O-N 2.92Å; R58-D61 PolarHBondContact O-N 2.72Å; R59-D61 VanDerWaalsContact C-N 3.32Å; D61-I63 VanDerWaalsContact C-N 3.28Å; D61-I63 HydrophobicContact CB-CD1 4Å; D61-I63 HydrophobicContact CB-CG1 4.04Å; D61-I63 PolarHBondContact O-N 3.11Å; D61-I63 WeakPolarHBondContact OD1-CD1 3.45Å; D61-I63 WeakPolarHBondContact OD1-CG1 3.4Å |
| 62 | G | 90.9 | Very high | 86.7 | Confident | 57 Ų | 57 | 80.9 Ų | 80.9 | 59% | 0.588 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.3 | 12.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R58 R59 R60 K64 | R58-G62 PolarHBondContact O-N 3.45Å; R59-G62 PolarHBondContact O-N 2.87Å; R60-G62 PolarHBondContact O-N 3.26Å; G62-K64 PolarHBondContact O-N 2.03Å |
| 63 | I | 86.6 | Confident | 86.5 | Confident | 63 Ų | 63 | 76.2 Ų | 76.2 | 32% | 0.323 | 40% | 0.396 | S | S | . | . | trans | -76 | 123.2 | 179.6 | -61.8 | 170.3 | 0 | 0 | 0 | 109.9 | R58 D61 | R58-I63 HydrophobicContact CB-CB 4.22Å; R58-I63 PolarHBondContact O-N 3.41Å; D61-I63 VanDerWaalsContact C-N 3.28Å; D61-I63 HydrophobicContact CB-CD1 4Å; D61-I63 HydrophobicContact CB-CG1 4.04Å; D61-I63 PolarHBondContact O-N 3.11Å; D61-I63 WeakPolarHBondContact OD1-CD1 3.45Å; D61-I63 WeakPolarHBondContact OD1-CG1 3.4Å | ||
| 64 | K | 82.9 | Confident | 86.2 | Confident | 182 Ų | 182 | 77.6 Ų | 77.6 | 79% | 0.791 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -116.3 | 136.9 | 170 | -67.7 | -176 | -179.6 | 178 | 0 | 110 | G62 | G62-K64 PolarHBondContact O-N 2.03Š|
| 65 | P | 83.3 | Confident | 86.1 | Confident | 78 Ų | 78 | 83.2 Ų | 83.2 | 51% | 0.506 | 43% | 0.429 | S | S | . | . | S | Bend | cis | -70.2 | 145.6 | 1.6 | 29.1 | -34.6 | 0 | 0 | 0 | 113.2 | M67 | P65-M67 PolarHBondContact O-N 3.34Š|
| 66 | E | 81.1 | Confident | 85.9 | Confident | 71 Ų | 71 | 82.5 Ų | 82.5 | 33% | 0.332 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -64.9 | -31 | 179.6 | -58.6 | 175.5 | 76.1 | 0 | 0 | 111.5 | M55 R58 R59 | M55-E66 WeakPolarHBondContact CG-O 3.18Å; R58-E66 WeakPolarHBondContact CD-O 3.35Å; R59-E66 IonicContact CZ-OE1 3.08Å; R59-E66 IonicContact NE-OE1 2.65Å; R59-E66 PolarHBondContact NE-OE1 2.78Å; R59-E66 IonicContact NH2-OE1 2.69Å; R59-E66 PolarHBondContact NH2-OE1 3.05Å; R59-E66 IonicContact NH2-OE2 3.77Å |
| 67 | M | 80 | Confident | 85.5 | Confident | 48 Ų | 48 | 82 Ų | 82 | 24% | 0.236 | 42% | 0.421 | C | S | . | . | S | Bend | trans | -92.1 | 122.9 | 177.1 | -132.4 | -95.9 | -74.4 | 0 | 0 | 108.6 | I13 M55 P65 R73 | I13-M67 WeakPolarHBondContact O-CE 2.99Å; M55-M67 HydrophobicContact CG-CG 4.1Å; M55-M67 HydrophobicContact SD-CB 4.39Å; M55-M67 HydrophobicContact SD-CG 3.62Å; P65-M67 PolarHBondContact O-N 3.34Å; M67-R73 PolarHBondContact SD-NH2 3.5Å |
| 68 | P | 83.6 | Confident | 85.2 | Confident | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 43% | 0.431 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 144.4 | -179.6 | 21.3 | -29.6 | 0 | 0 | 0 | 110.4 | W51 I54 E72 R73 | W51-P68 HydrophobicContact CE3-CG 3.56Å; W51-P68 HydrophobicContact CZ3-CB 4.36Å; W51-P68 HydrophobicContact CZ3-CG 3.43Å; W51-P68 VanDerWaalsContact CZ3-CG 3.43Å; I54-P68 HydrophobicContact CG2-CG 4.28Å; P68-E72 HydrophobicContact CB-CB 4.04Å; P68-R73 HydrophobicContact CB-CG 4.04Å; P68-R73 HydrophobicContact CG-CG 3.9Å; P68-R73 PolarHBondContact O-NE 3.29Å; P68-R73 PolarHBondContact O-NH2 3.02Å |
| 69 | T | 84.1 | Confident | 85 | Confident | 65 Ų | 65 | 84.1 Ų | 84.1 | 40% | 0.399 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 160.4 | 176.7 | 60.2 | 0 | 0 | 0 | 0 | 111.8 | A71 E72 R73 | T69-A71 PolarHBondContact O-N 3.37Å; T69-A71 VanDerWaalsContact O-N 3.11Å; T69-E72 PolarHBondContact N-OE2 3.38Å; T69-E72 PolarHBondContact O-N 3.35Å; T69-E72 WeakPolarHBondContact OG1-CG 3.33Å; T69-E72 PolarHBondContact OG1-OE2 3.36Å; T69-E72 VanDerWaalsContact OG1-OE2 3.1Å; T69-R73 VanDerWaalsContact O-CG 3.3Å; T69-R73 WeakPolarHBondContact O-CG 3.03Å; T69-R73 PolarHBondContact O-N 3.39Å |
| 70 | A | 80.9 | Confident | 84.5 | Confident | 52 Ų | 52 | 79.9 Ų | 79.9 | 43% | 0.43 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -52.5 | -36.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114 | R73 L74 | A70-R73 PolarHBondContact O-N 3.25Å; A70-L74 PolarHBondContact O-N 3.17Å; A70-L74 VanDerWaalsContact O-N 3.13Å |
| 71 | A | 82.8 | Confident | 83.6 | Confident | 73 Ų | 73 | 74.3 Ų | 74.3 | 60% | 0.603 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66.1 | -48.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T69 R73 L74 E75 | T69-A71 PolarHBondContact O-N 3.37Å; T69-A71 VanDerWaalsContact O-N 3.11Å; A71-R73 PolarHBondContact O-N 3.05Å; A71-L74 WeakPolarHBondContact O-CB 3.01Å; A71-L74 PolarHBondContact O-N 2.94Å; A71-L74 VanDerWaalsContact O-N 3.15Å; A71-E75 PolarHBondContact O-N 2.81Å |
| 72 | E | 85.4 | Confident | 82.7 | Confident | 56 Ų | 56 | 70.1 Ų | 70.1 | 26% | 0.262 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -61.6 | -36.8 | 176.2 | -67.5 | -179.8 | 89.8 | 0 | 0 | 111.6 | R58 P68 T69 L74 E75 M76 | R58-E72 IonicContact CZ-OE1 3.69Å; R58-E72 IonicContact NH1-OE1 2.72Å; R58-E72 PolarHBondContact NH1-OE1 3.43Å; R58-E72 IonicContact NH2-OE1 2.92Å; R58-E72 PolarHBondContact NH2-OE1 2.86Å; R58-E72 IonicContact NH2-OE2 3.22Å; P68-E72 HydrophobicContact CB-CB 4.04Å; T69-E72 PolarHBondContact N-OE2 3.38Å; T69-E72 PolarHBondContact O-N 3.35Å; T69-E72 WeakPolarHBondContact OG1-CG 3.33Å; T69-E72 PolarHBondContact OG1-OE2 3.36Å; T69-E72 VanDerWaalsContact OG1-OE2 3.1Å; E72-L74 VanDerWaalsContact C-N 3.31Å; E72-L74 PolarHBondContact O-N 2.95Å; E72-E75 PolarHBondContact O-N 2.87Å; E72-M76 WeakPolarHBondContact O-CB 3.42Å; E72-M76 WeakPolarHBondContact O-CG 3.48Å; E72-M76 PolarHBondContact O-N 3.36Å |
| 73 | R | 84.2 | Confident | 81.8 | Confident | 17 Ų | 17 | 71.5 Ų | 71.5 | 6% | 0.064 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -62.4 | -43 | 177.1 | -63.7 | -175.2 | -159.9 | 133.3 | 16.1 | 111.6 | Q11 D12 W51 M67 P68 T69 A70 A71 E75 M76 L77 | Q11-R73 PolarHBondContact O-NH1 3.07Å; D12-R73 PolarHBondContact O-NH1 2.76Å; D12-R73 PolarHBondContact O-NH2 3.18Å; W51-R73 HydrophobicContact CE3-CG 4.31Å; W51-R73 HydrophobicContact CH2-CB 3.4Å; W51-R73 VanDerWaalsContact CH2-CB 3.4Å; W51-R73 HydrophobicContact CH2-CG 3.4Å; W51-R73 HydrophobicContact CZ2-CB 3.94Å; W51-R73 HydrophobicContact CZ2-CG 4.04Å; W51-R73 HydrophobicContact CZ3-CB 4.07Å; W51-R73 HydrophobicContact CZ3-CG 3.55Å; M67-R73 PolarHBondContact SD-NH2 3.5Å; P68-R73 HydrophobicContact CB-CG 4.04Å; P68-R73 HydrophobicContact CG-CG 3.9Å; P68-R73 PolarHBondContact O-NE 3.29Å; P68-R73 PolarHBondContact O-NH2 3.02Å; T69-R73 VanDerWaalsContact O-CG 3.3Å; T69-R73 WeakPolarHBondContact O-CG 3.03Å; T69-R73 PolarHBondContact O-N 3.39Å; A70-R73 PolarHBondContact O-N 3.25Å; A71-R73 PolarHBondContact O-N 3.05Å; R73-E75 VanDerWaalsContact C-N 3.31Å; R73-M76 PolarHBondContact O-N 3.11Å; R73-L77 WeakPolarHBondContact O-CB 3.34Å; R73-L77 VanDerWaalsContact O-CG 3.22Å; R73-L77 WeakPolarHBondContact O-CG 3.19Å; R73-L77 PolarHBondContact O-N 3.42Å |
| 74 | L | 82.4 | Confident | 81 | Confident | 124 Ų | 124 | 71.3 Ų | 71.3 | 65% | 0.649 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -63.2 | -41.7 | 177.1 | -173.1 | 66.2 | 0 | 0 | 0 | 110.8 | A70 A71 E72 L77 S78 | A70-L74 PolarHBondContact O-N 3.17Å; A70-L74 VanDerWaalsContact O-N 3.13Å; A71-L74 WeakPolarHBondContact O-CB 3.01Å; A71-L74 PolarHBondContact O-N 2.94Å; A71-L74 VanDerWaalsContact O-N 3.15Å; E72-L74 VanDerWaalsContact C-N 3.31Å; E72-L74 PolarHBondContact O-N 2.95Å; L74-L77 PolarHBondContact O-N 2.9Å; L74-S78 VanDerWaalsContact O-CB 3.24Å; L74-S78 WeakPolarHBondContact O-CB 3.45Å; L74-S78 PolarHBondContact O-N 3.45Å |
| 75 | E | 86.3 | Confident | 80.5 | Confident | 145 Ų | 145 | 64.4 Ų | 64.4 | 68% | 0.678 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -62.7 | -45.6 | 176.1 | -169.6 | 173.3 | 89.9 | 0 | 0 | 111.8 | A71 E72 R73 L77 S78 A79 | A71-E75 PolarHBondContact O-N 2.81Å; E72-E75 PolarHBondContact O-N 2.87Å; R73-E75 VanDerWaalsContact C-N 3.31Å; E75-L77 PolarHBondContact O-N 3.36Å; E75-S78 WeakPolarHBondContact O-CB 3.43Å; E75-S78 PolarHBondContact O-N 2.86Å; E75-A79 WeakPolarHBondContact O-CB 3.46Å; E75-A79 PolarHBondContact O-N 3.45Å |
| 76 | M | 84.6 | Confident | 80.3 | Confident | 41 Ų | 41 | 63.8 Ų | 63.8 | 20% | 0.202 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -62 | -41 | 176.8 | -67.7 | 179.8 | 85.8 | 0 | 0 | 112.3 | W51 I54 E72 R73 I80 | W51-M76 HydrophobicContact CH2-CB 4.43Å; W51-M76 HydrophobicContact CH2-SD 4.37Å; W51-M76 HydrophobicContact CZ3-SD 3.86Å; I54-M76 HydrophobicContact CB-CE 4.32Å; I54-M76 HydrophobicContact CD1-CE 3.41Å; I54-M76 VanDerWaalsContact CD1-CE 3.41Å; I54-M76 HydrophobicContact CG1-CE 3.56Å; I54-M76 HydrophobicContact CG2-CE 3.78Å; I54-M76 HydrophobicContact CG2-SD 4.21Å; E72-M76 WeakPolarHBondContact O-CB 3.42Å; E72-M76 WeakPolarHBondContact O-CG 3.48Å; E72-M76 PolarHBondContact O-N 3.36Å; R73-M76 PolarHBondContact O-N 3.11Å; M76-I80 WeakPolarHBondContact O-CG1 3.4Å; M76-I80 PolarHBondContact O-N 3.36Å |
| 77 | L | 83 | Confident | 80.3 | Confident | 33 Ų | 33 | 63.4 Ų | 63.4 | 17% | 0.173 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -68.6 | -38.3 | 176 | -68.7 | 170.2 | 0 | 0 | 0 | 111.6 | W51 R73 L74 E75 I80 G81 G82 K83 Y85 | W51-L77 HydrophobicContact CZ2-CD1 4.43Å; W51-L77 HydrophobicContact CZ2-CD2 4.4Å; W51-L77 HydrophobicContact CZ2-CG 4.3Å; R73-L77 WeakPolarHBondContact O-CB 3.34Å; R73-L77 VanDerWaalsContact O-CG 3.22Å; R73-L77 WeakPolarHBondContact O-CG 3.19Å; R73-L77 PolarHBondContact O-N 3.42Å; L74-L77 PolarHBondContact O-N 2.9Å; E75-L77 PolarHBondContact O-N 3.36Å; L77-I80 PolarHBondContact O-N 3.27Å; L77-G81 PolarHBondContact O-N 3.48Å; L77-G82 PolarHBondContact O-N 3.38Å; L77-K83 HydrophobicContact CD2-CG 4.31Å; L77-Y85 HydrophobicContact CD2-CE1 4.36Å |
| 78 | S | 84.2 | Confident | 80.3 | Confident | 93 Ų | 93 | 64.2 Ų | 64.2 | 65% | 0.65 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65 | -43 | 175.8 | -169.7 | 0 | 0 | 0 | 0 | 111.4 | L74 E75 I80 G81 | L74-S78 VanDerWaalsContact O-CB 3.24Å; L74-S78 WeakPolarHBondContact O-CB 3.45Å; L74-S78 PolarHBondContact O-N 3.45Å; E75-S78 WeakPolarHBondContact O-CB 3.43Å; E75-S78 PolarHBondContact O-N 2.86Å; S78-I80 VanDerWaalsContact C-N 3.26Å; S78-I80 PolarHBondContact O-N 3.33Å; S78-G81 PolarHBondContact O-N 3.14Å |
| 79 | A | 84.6 | Confident | 80.1 | Confident | 87 Ų | 87 | 68 Ų | 68 | 72% | 0.719 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -63.2 | -30.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | E75 G81 | E75-A79 WeakPolarHBondContact O-CB 3.46Å; E75-A79 PolarHBondContact O-N 3.45Å; A79-G81 VanDerWaalsContact C-N 3.29Å |
| 80 | I | 79 | Confident | 79.9 | Confident | 79 Ų | 79 | 68.2 Ų | 68.2 | 41% | 0.405 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -79.2 | -14.9 | 175.5 | -68.2 | 170.5 | 0 | 0 | 0 | 111.7 | Y50 M76 L77 S78 G82 P84 | Y50-I80 HydrophobicContact CE2-CD1 3.88Å; Y50-I80 WeakPolarHBondContact OH-CD1 3.47Å; M76-I80 WeakPolarHBondContact O-CG1 3.4Å; M76-I80 PolarHBondContact O-N 3.36Å; L77-I80 PolarHBondContact O-N 3.27Å; S78-I80 VanDerWaalsContact C-N 3.26Å; S78-I80 PolarHBondContact O-N 3.33Å; I80-G82 VanDerWaalsContact C-N 3.28Å; I80-P84 HydrophobicContact CD1-CB 4.32Å; I80-P84 HydrophobicContact CD1-CG 4Å; I80-P84 HydrophobicContact CG2-CB 4.19Å |
| 81 | G | 73.4 | Confident | 79.8 | Confident | 73 Ų | 73 | 69.3 Ų | 69.3 | 75% | 0.753 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 19.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L77 S78 A79 | L77-G81 PolarHBondContact O-N 3.48Å; S78-G81 PolarHBondContact O-N 3.14Å; A79-G81 VanDerWaalsContact C-N 3.29Å |
| 82 | G | 72.6 | Confident | 79.6 | Confident | 35 Ų | 35 | 69 Ų | 69 | 36% | 0.361 | 42% | 0.416 | S | S | . | . | S | Bend | trans | 161.2 | -177.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | L77 I80 P84 | L77-G82 PolarHBondContact O-N 3.38Å; I80-G82 VanDerWaalsContact C-N 3.28Å; G82-P84 WeakPolarHBondContact O-CD 3.17Å |
| 83 | K | 72.2 | Confident | 79.1 | Confident | 86 Ų | 86 | 70 Ų | 70 | 37% | 0.374 | 43% | 0.428 | S | S | . | . | trans | -78.8 | 120.2 | 171.6 | -68.5 | 173.4 | 178.5 | 179.6 | 0 | 107.7 | E18 L77 Y85 | E18-K83 IonicContact OE1-NZ 2.62Å; E18-K83 PolarHBondContact OE1-NZ 3.28Å; E18-K83 IonicContact OE2-NZ 2.97Å; E18-K83 PolarHBondContact OE2-NZ 3.06Å; L77-K83 HydrophobicContact CD2-CG 4.31Å; K83-Y85 HydrophobicContact CB-CD1 4.48Å; K83-Y85 HydrophobicContact CB-CD2 3.98Å; K83-Y85 HydrophobicContact CB-CE1 4.26Å; K83-Y85 HydrophobicContact CB-CE2 3.75Å; K83-Y85 HydrophobicContact CB-CG 4.36Å; K83-Y85 HydrophobicContact CD-CE2 3.81Å; K83-Y85 HydrophobicContact CG-CE2 3.97Å; K83-Y85 PolarHBondContact O-N 2.92Å | ||
| 84 | P | 70.5 | Confident | 78.7 | Confident | 60 Ų | 60 | 74.4 Ų | 74.4 | 39% | 0.39 | 46% | 0.458 | S | S | . | . | trans | -70.7 | 15.9 | -179.3 | 28 | -33.9 | 0 | 0 | 0 | 113.6 | Y50 I80 G82 | Y50-P84 HydrophobicContact CD1-CG 4.16Å; Y50-P84 HydrophobicContact CD2-CB 4.35Å; Y50-P84 HydrophobicContact CD2-CG 3.79Å; Y50-P84 HydrophobicContact CE1-CG 4.3Å; Y50-P84 HydrophobicContact CE2-CG 3.94Å; Y50-P84 HydrophobicContact CG-CG 3.92Å; I80-P84 HydrophobicContact CD1-CB 4.32Å; I80-P84 HydrophobicContact CD1-CG 4Å; I80-P84 HydrophobicContact CG2-CB 4.19Å; G82-P84 WeakPolarHBondContact O-CD 3.17Å | ||
| 85 | Y | 71.9 | Confident | 78.4 | Confident | 37 Ų | 37 | 69.9 Ų | 69.9 | 15% | 0.145 | 44% | 0.441 | C | S | . | . | trans | -137.1 | 0 | -172.3 | 45 | -100.1 | 0 | 0 | 0 | 111.4 | E19 R43 N46 C47 L77 K83 | E19-Y85 HydrophobicContact CG-CD2 3.83Å; E19-Y85 HydrophobicContact CG-CE2 3.52Å; E19-Y85 VanDerWaalsContact OE2-CD2 3.27Å; E19-Y85 WeakPolarHBondContact OE2-CD2 3.37Å; R43-Y85 WeakPolarHBondContact CG-OXT 3.46Å; N46-Y85 VanDerWaalsContact CB-CB 3.44Å; C47-Y85 VanDerWaalsContact CA-CD1 3.47Å; C47-Y85 HydrophobicContact CB-CD1 3.6Å; C47-Y85 HydrophobicContact CB-CD2 3.77Å; C47-Y85 HydrophobicContact CB-CE1 3.65Å; C47-Y85 HydrophobicContact CB-CE2 3.79Å; C47-Y85 HydrophobicContact CB-CG 3.66Å; C47-Y85 VanDerWaalsContact SG-CE1 3.6Å; L77-Y85 HydrophobicContact CD2-CE1 4.36Å; K83-Y85 HydrophobicContact CB-CD1 4.48Å; K83-Y85 HydrophobicContact CB-CD2 3.98Å; K83-Y85 HydrophobicContact CB-CE1 4.26Å; K83-Y85 HydrophobicContact CB-CE2 3.75Å; K83-Y85 HydrophobicContact CB-CG 4.36Å; K83-Y85 HydrophobicContact CD-CE2 3.81Å; K83-Y85 HydrophobicContact CG-CE2 3.97Å; K83-Y85 PolarHBondContact O-N 2.92Å |
Retrieved 85 of 85 residues in 367.6 ms
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