| 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 | 69.2 | Low | 72 | Confident | 241 Ų | 241 | 137.1 Ų | 137.1 | 100% | 1.187 | 68% | 0.682 | S | S | * | * | 0 | 126.7 | 0 | -68.1 | -166.3 | -79.1 | 0 | 0 | 108.4 | |||||
| 2 | S | 85.7 | Confident | 70.9 | Confident | 67 Ų | 67 | 133.9 Ų | 133.9 | 47% | 0.469 | 68% | 0.676 | S | S | . | * | trans | -84.1 | 145.4 | -177.6 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | K4 S5 F6 | S2-K4 PolarHBondContact O-N 3.16Å; S2-K4 VanDerWaalsContact O-N 3.13Å; S2-K4 PolarHBondContact OG-N 3.07Å; S2-S5 WeakPolarHBondContact O-CA 3.32Å; S2-S5 WeakPolarHBondContact O-CB 3.27Å; S2-S5 PolarHBondContact O-N 3.43Å; S2-F6 PolarHBondContact O-N 3.4Å | ||
| 3 | L | 77.4 | Confident | 70.3 | Confident | 137 Ų | 137 | 131.8 Ų | 131.8 | 72% | 0.717 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -51.8 | -31.7 | 170.5 | -83.5 | 157.5 | 0 | 0 | 0 | 112.4 | F6 L7 | L3-F6 PolarHBondContact O-N 3.14Å; L3-L7 WeakPolarHBondContact O-CB 3.45Å; L3-L7 PolarHBondContact O-N 3Å |
| 4 | K | 76.7 | Confident | 70.1 | Confident | 166 Ų | 166 | 132.3 Ų | 132.3 | 72% | 0.722 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -65 | -42.6 | 173.9 | -73.2 | -176.1 | 177.8 | -177.7 | 0 | 112.1 | S2 F6 L8 | S2-K4 PolarHBondContact O-N 3.16Å; S2-K4 VanDerWaalsContact O-N 3.13Å; S2-K4 PolarHBondContact OG-N 3.07Å; K4-F6 VanDerWaalsContact C-N 3.34Å; K4-L8 WeakPolarHBondContact O-CB 3.48Å; K4-L8 PolarHBondContact O-N 3.38Å |
| 5 | S | 73.1 | Confident | 70.7 | Confident | 77 Ų | 77 | 126.3 Ų | 126.3 | 54% | 0.538 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -66.5 | -37.5 | 174.4 | -63.4 | 0 | 0 | 0 | 0 | 111.6 | S2 L8 L9 | S2-S5 WeakPolarHBondContact O-CA 3.32Å; S2-S5 WeakPolarHBondContact O-CB 3.27Å; S2-S5 PolarHBondContact O-N 3.43Å; S5-L8 PolarHBondContact O-N 3.06Å; S5-L9 WeakPolarHBondContact O-CB 3.49Å; S5-L9 PolarHBondContact O-N 3.19Å |
| 6 | F | 74.9 | Confident | 71.8 | Confident | 119 Ų | 119 | 122.6 Ų | 122.6 | 52% | 0.522 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -66.9 | -44.4 | 176.5 | -174.3 | -101.4 | 0 | 0 | 0 | 112.1 | S2 L3 K4 L8 L9 M10 | S2-F6 PolarHBondContact O-N 3.4Å; L3-F6 PolarHBondContact O-N 3.14Å; K4-F6 VanDerWaalsContact C-N 3.34Å; F6-L8 VanDerWaalsContact C-N 3.35Å; F6-L8 PolarHBondContact O-N 3.46Å; F6-L9 PolarHBondContact O-N 3.38Å; F6-M10 HydrophobicContact CD1-CG 4.28Å; F6-M10 HydrophobicContact CE1-CE 4.34Å; F6-M10 HydrophobicContact CE1-CG 3.9Å; F6-M10 HydrophobicContact CZ-CE 4.06Å; F6-M10 HydrophobicContact CZ-CG 4.04Å; F6-M10 HydrophobicContact CZ-SD 4.46Å; F6-M10 WeakPolarHBondContact O-CG 3.46Å; F6-M10 PolarHBondContact O-N 3.22Å |
| 7 | L | 72.2 | Confident | 72.8 | Confident | 119 Ų | 119 | 118.8 Ų | 118.8 | 62% | 0.623 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -63 | -38.8 | 174 | -92.1 | 160.4 | 0 | 0 | 0 | 112.2 | L3 M10 R11 | L3-L7 WeakPolarHBondContact O-CB 3.45Å; L3-L7 PolarHBondContact O-N 3Å; L7-M10 PolarHBondContact O-N 3.05Å; L7-R11 WeakPolarHBondContact O-CB 3.15Å; L7-R11 PolarHBondContact O-N 2.99Å |
| 8 | L | 69.1 | Low | 73.9 | Confident | 133 Ų | 133 | 114.5 Ų | 114.5 | 70% | 0.696 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.3 | -38.9 | 174.3 | -110.2 | 137 | 0 | 0 | 0 | 112.3 | K4 S5 F6 R11 | K4-L8 WeakPolarHBondContact O-CB 3.48Å; K4-L8 PolarHBondContact O-N 3.38Å; S5-L8 PolarHBondContact O-N 3.06Å; F6-L8 VanDerWaalsContact C-N 3.35Å; F6-L8 PolarHBondContact O-N 3.46Å; L8-R11 CarbonylContact O-C 3.48Å; L8-R11 PolarHBondContact O-N 3.1Å |
| 9 | L | 64.6 | Low | 74.9 | Confident | 120 Ų | 120 | 111.9 Ų | 111.9 | 63% | 0.628 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71.3 | -35.4 | 175.9 | -165.3 | 71.3 | 0 | 0 | 0 | 111.8 | S5 F6 R11 T12 | S5-L9 WeakPolarHBondContact O-CB 3.49Å; S5-L9 PolarHBondContact O-N 3.19Å; F6-L9 PolarHBondContact O-N 3.38Å; L9-R11 VanDerWaalsContact C-N 3.25Å; L9-R11 PolarHBondContact O-N 3.31Å; L9-T12 HydrophobicContact CD1-CG2 4.3Å; L9-T12 WeakPolarHBondContact O-CB 3.48Å; L9-T12 WeakPolarHBondContact O-CG2 3.23Å; L9-T12 PolarHBondContact O-N 2.72Å; L9-T12 VanDerWaalsContact O-N 3.11Å; L9-T12 PolarHBondContact O-OG1 3.05Å |
| 10 | M | 67.1 | Low | 75.7 | Confident | 136 Ų | 136 | 113 Ų | 113 | 67% | 0.67 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -73.7 | -18.9 | 172.1 | -71.1 | -65.7 | -117.8 | 0 | 0 | 112.8 | F6 L7 T12 | F6-M10 HydrophobicContact CD1-CG 4.28Å; F6-M10 HydrophobicContact CE1-CE 4.34Å; F6-M10 HydrophobicContact CE1-CG 3.9Å; F6-M10 HydrophobicContact CZ-CE 4.06Å; F6-M10 HydrophobicContact CZ-CG 4.04Å; F6-M10 HydrophobicContact CZ-SD 4.46Å; F6-M10 WeakPolarHBondContact O-CG 3.46Å; F6-M10 PolarHBondContact O-N 3.22Å; L7-M10 PolarHBondContact O-N 3.05Å; M10-T12 PolarHBondContact O-N 3.23Å |
| 11 | R | 61.6 | Low | 76.6 | Confident | 193 Ų | 193 | 115 Ų | 115 | 73% | 0.728 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 17 | 166.5 | -123.4 | -174.5 | -163.3 | 177.8 | 4.6 | 112.5 | L7 L8 L9 D13 | L7-R11 WeakPolarHBondContact O-CB 3.15Å; L7-R11 PolarHBondContact O-N 2.99Å; L8-R11 CarbonylContact O-C 3.48Å; L8-R11 PolarHBondContact O-N 3.1Å; L9-R11 VanDerWaalsContact C-N 3.25Å; L9-R11 PolarHBondContact O-N 3.31Å; R11-D13 PolarHBondContact O-N 2.65Å |
| 12 | T | 59.3 | Low | 77.8 | Confident | 99 Ų | 99 | 111.5 Ų | 111.5 | 61% | 0.607 | 57% | 0.571 | S | S | * | * | trans | -59.4 | 87.3 | 162.4 | 50 | 0 | 0 | 0 | 0 | 107.1 | L9 M10 C14 | L9-T12 HydrophobicContact CD1-CG2 4.3Å; L9-T12 WeakPolarHBondContact O-CB 3.48Å; L9-T12 WeakPolarHBondContact O-CG2 3.23Å; L9-T12 PolarHBondContact O-N 2.72Å; L9-T12 VanDerWaalsContact O-N 3.11Å; L9-T12 PolarHBondContact O-OG1 3.05Å; M10-T12 PolarHBondContact O-N 3.23Å; T12-C14 PolarHBondContact O-N 3.38Å | ||
| 13 | D | 63.8 | Low | 78.1 | Confident | 107 Ų | 107 | 113 Ų | 113 | 57% | 0.572 | 57% | 0.573 | S | S | * | * | trans | -56.3 | 113.3 | -179.2 | -75 | -39.8 | 0 | 0 | 0 | 105.6 | R11 T15 | R11-D13 PolarHBondContact O-N 2.65Å; D13-T15 HydrophobicContact CB-CG2 3.81Å; D13-T15 WeakPolarHBondContact CB-OG1 3.34Å; D13-T15 PolarHBondContact O-N 2.9Å; D13-T15 PolarHBondContact O-OG1 3.31Å | ||
| 14 | C | 66.7 | Low | 78.8 | Confident | 138 Ų | 138 | 111.8 Ų | 111.8 | 93% | 0.932 | 56% | 0.564 | S | S | * | * | trans | -59.2 | 10.9 | 168.2 | 43 | 0 | 0 | 0 | 0 | 112.7 | T12 S16 | T12-C14 PolarHBondContact O-N 3.38Å; C14-S16 PolarHBondContact O-N 2.82Å | ||
| 15 | T | 79 | Confident | 79.8 | Confident | 43 Ų | 43 | 111 Ų | 111 | 26% | 0.264 | 56% | 0.556 | S | S | . | * | trans | -43.9 | 128.5 | 163.5 | 51.3 | 0 | 0 | 0 | 0 | 111.4 | D13 E19 R20 | D13-T15 HydrophobicContact CB-CG2 3.81Å; D13-T15 WeakPolarHBondContact CB-OG1 3.34Å; D13-T15 PolarHBondContact O-N 2.9Å; D13-T15 PolarHBondContact O-OG1 3.31Å; T15-E19 HydrophobicContact CG2-CB 4.43Å; T15-E19 HydrophobicContact CG2-CG 4.07Å; T15-R20 PolarHBondContact O-NH1 3.03Å; T15-R20 PolarHBondContact OG1-NH1 3.48Å | ||
| 16 | S | 87.8 | Confident | 80.8 | Confident | 67 Ų | 67 | 109.5 Ų | 109.5 | 47% | 0.469 | 55% | 0.549 | S | S | . | . | trans | -64.1 | 156.8 | 173.4 | 71.1 | 0 | 0 | 0 | 0 | 110.5 | C14 A18 E19 R20 | C14-S16 PolarHBondContact O-N 2.82Å; S16-A18 PolarHBondContact O-N 3.36Å; S16-A18 VanDerWaalsContact O-N 3.15Å; S16-E19 PolarHBondContact O-N 3.43Å; S16-E19 PolarHBondContact OG-N 3.2Å; S16-E19 VanDerWaalsContact OG-N 3.15Å; S16-R20 PolarHBondContact O-N 3.42Å; S16-R20 VanDerWaalsContact O-N 3.07Å | ||
| 17 | A | 89.7 | Confident | 81.8 | Confident | 58 Ų | 58 | 105.8 Ų | 105.8 | 48% | 0.479 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.5 | -26.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R21 | A17-R21 WeakPolarHBondContact O-CG 3.36Å; A17-R21 PolarHBondContact O-N 3.49Å; A17-R21 PolarHBondContact O-NE 3.4Å |
| 18 | A | 93.1 | Very high | 83 | Confident | 41 Ų | 41 | 106 Ų | 106 | 34% | 0.339 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.9 | -41.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S16 R21 R22 | S16-A18 PolarHBondContact O-N 3.36Å; S16-A18 VanDerWaalsContact O-N 3.15Å; A18-R21 PolarHBondContact O-N 3.49Å; A18-R22 WeakPolarHBondContact O-CG 3.36Å; A18-R22 PolarHBondContact O-N 3Å |
| 19 | E | 92.2 | Very high | 84.3 | Confident | 65 Ų | 65 | 103.6 Ų | 103.6 | 30% | 0.304 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -68.1 | -42.5 | 179.8 | -166.8 | 53.2 | -144.5 | 0 | 0 | 111.9 | T15 S16 R21 R22 I23 | T15-E19 HydrophobicContact CG2-CB 4.43Å; T15-E19 HydrophobicContact CG2-CG 4.07Å; S16-E19 PolarHBondContact O-N 3.43Å; S16-E19 PolarHBondContact OG-N 3.2Å; S16-E19 VanDerWaalsContact OG-N 3.15Å; E19-R21 VanDerWaalsContact C-N 3.28Å; E19-R21 PolarHBondContact O-N 3.31Å; E19-R22 WeakPolarHBondContact O-CB 3.37Å; E19-R22 PolarHBondContact O-N 3.48Å; E19-R22 WeakPolarHBondContact OE2-CD 3.37Å; E19-R22 IonicContact OE2-NH1 3.37Å; E19-R22 PolarHBondContact OE2-NH1 2.92Å; E19-I23 HydrophobicContact CG-CD1 4.22Å; E19-I23 WeakPolarHBondContact O-CG1 3.44Å; E19-I23 PolarHBondContact O-N 2.92Å |
| 20 | R | 91.1 | Very high | 85.9 | Confident | 134 Ų | 134 | 100.5 Ų | 100.5 | 51% | 0.506 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -56.7 | -41.3 | 171.9 | -73.3 | -168.1 | -74.5 | -82.5 | -0.2 | 112.6 | T15 S16 H24 | T15-R20 PolarHBondContact O-NH1 3.03Å; T15-R20 PolarHBondContact OG1-NH1 3.48Å; S16-R20 PolarHBondContact O-N 3.42Å; S16-R20 VanDerWaalsContact O-N 3.07Å; R20-H24 WeakPolarHBondContact O-CB 3.29Å; R20-H24 PolarHBondContact O-N 3.45Å |
| 21 | R | 93.8 | Very high | 87.4 | Confident | 154 Ų | 154 | 100.9 Ų | 100.9 | 58% | 0.581 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65 | -38.7 | 175.2 | -75.1 | -175.4 | -68.5 | 177.8 | 0.3 | 112.1 | A17 A18 E19 R25 | A17-R21 WeakPolarHBondContact O-CG 3.36Å; A17-R21 PolarHBondContact O-N 3.49Å; A17-R21 PolarHBondContact O-NE 3.4Å; A18-R21 PolarHBondContact O-N 3.49Å; E19-R21 VanDerWaalsContact C-N 3.28Å; E19-R21 PolarHBondContact O-N 3.31Å; R21-R25 WeakPolarHBondContact O-CB 3.45Å; R21-R25 WeakPolarHBondContact O-CG 3.31Å; R21-R25 PolarHBondContact O-N 3.42Å |
| 22 | R | 94.3 | Very high | 89.1 | Confident | 168 Ų | 168 | 98 Ų | 98 | 63% | 0.634 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.3 | -50.2 | 175.7 | -74.5 | 176.3 | 177.1 | 166.6 | -3.2 | 111.6 | A18 E19 H24 R25 A26 | A18-R22 WeakPolarHBondContact O-CG 3.36Å; A18-R22 PolarHBondContact O-N 3Å; E19-R22 WeakPolarHBondContact O-CB 3.37Å; E19-R22 PolarHBondContact O-N 3.48Å; E19-R22 WeakPolarHBondContact OE2-CD 3.37Å; E19-R22 IonicContact OE2-NH1 3.37Å; E19-R22 PolarHBondContact OE2-NH1 2.92Å; R22-H24 VanDerWaalsContact C-N 3.34Å; R22-H24 PolarHBondContact O-N 3.44Å; R22-R25 PolarHBondContact O-N 2.98Å; R22-R25 VanDerWaalsContact O-N 3.17Å; R22-A26 WeakPolarHBondContact O-CB 3.38Å; R22-A26 PolarHBondContact O-N 3.05Å |
| 23 | I | 91.9 | Very high | 90.9 | Very high | 98 Ų | 98 | 96.8 Ų | 96.8 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.5 | -46.8 | 178.2 | -65.7 | 168.8 | 0 | 0 | 0 | 110.6 | E19 R25 A26 S27 | E19-I23 HydrophobicContact CG-CD1 4.22Å; E19-I23 WeakPolarHBondContact O-CG1 3.44Å; E19-I23 PolarHBondContact O-N 2.92Å; I23-R25 PolarHBondContact O-N 3.41Å; I23-A26 WeakPolarHBondContact O-CB 3.28Å; I23-A26 PolarHBondContact O-N 3.32Å; I23-A26 VanDerWaalsContact O-N 3.11Å; I23-S27 PolarHBondContact O-N 3.3Å |
| 24 | H | 93.9 | Very high | 92.6 | Very high | 112 Ų | 112 | 95.2 Ų | 95.2 | 52% | 0.519 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 176.3 | 178.6 | -93.8 | 0 | 0 | 0 | 112.2 | R20 R22 A26 S27 Y30 | R20-H24 WeakPolarHBondContact O-CB 3.29Å; R20-H24 PolarHBondContact O-N 3.45Å; R22-H24 VanDerWaalsContact C-N 3.34Å; R22-H24 PolarHBondContact O-N 3.44Å; H24-A26 PolarHBondContact O-N 2.94Å; H24-S27 VanDerWaalsContact O-CB 3.28Å; H24-S27 WeakPolarHBondContact O-CB 3.49Å; H24-S27 PolarHBondContact O-N 2.94Å; H24-S27 VanDerWaalsContact O-N 3.11Å; H24-S27 PolarHBondContact O-OG 3.2Å; H24-Y30 AromaticContact CE1-CD2 3.22Å; H24-Y30 WeakPolarHBondContact CE1-CD2 3.39Å; H24-Y30 AromaticContact CE1-CE2 3.75Å; H24-Y30 AromaticContact ND1-CD2 3.45Å; H24-Y30 WeakPolarHBondContact ND1-CD2 3.32Å; H24-Y30 AromaticContact ND1-CE2 3.81Å; H24-Y30 WeakPolarHBondContact O-CB 3.44Å |
| 25 | R | 95.9 | Very high | 94.1 | Very high | 149 Ų | 149 | 90.6 Ų | 90.6 | 56% | 0.562 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -65.1 | -27.1 | 175.9 | -74 | 177.1 | 172.7 | 177.3 | 0.9 | 113.3 | R21 R22 I23 Y30 | R21-R25 WeakPolarHBondContact O-CB 3.45Å; R21-R25 WeakPolarHBondContact O-CG 3.31Å; R21-R25 PolarHBondContact O-N 3.42Å; R22-R25 PolarHBondContact O-N 2.98Å; R22-R25 VanDerWaalsContact O-N 3.17Å; I23-R25 PolarHBondContact O-N 3.41Å; R25-Y30 VanDerWaalsContact CA-CD1 3.44Å; R25-Y30 HydrophobicContact CB-CD1 4.15Å; R25-Y30 HydrophobicContact CB-CE1 3.87Å; R25-Y30 HydrophobicContact CG-CD1 4.25Å; R25-Y30 HydrophobicContact CG-CE1 3.58Å; R25-Y30 HydrophobicContact CG-CE2 4.38Å; R25-Y30 WeakPolarHBondContact O-CD1 3.46Å |
| 26 | A | 95.5 | Very high | 95 | Very high | 47 Ų | 47 | 92.4 Ų | 92.4 | 39% | 0.388 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -79.5 | -18.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | R22 I23 H24 R31 | R22-A26 WeakPolarHBondContact O-CB 3.38Å; R22-A26 PolarHBondContact O-N 3.05Å; I23-A26 WeakPolarHBondContact O-CB 3.28Å; I23-A26 PolarHBondContact O-N 3.32Å; I23-A26 VanDerWaalsContact O-N 3.11Å; H24-A26 PolarHBondContact O-N 2.94Å; A26-R31 VanDerWaalsContact O-CZ 3.29Å; A26-R31 PolarHBondContact O-NE 3.34Å |
| 27 | S | 96 | Very high | 95.5 | Very high | 40 Ų | 40 | 96.5 Ų | 96.5 | 28% | 0.28 | 47% | 0.467 | S | S | . | . | S | Bend | trans | -62 | 143.2 | 179.9 | 77.7 | 0 | 0 | 0 | 0 | 112.1 | I23 H24 Y30 R31 | I23-S27 PolarHBondContact O-N 3.3Å; H24-S27 VanDerWaalsContact O-CB 3.28Å; H24-S27 WeakPolarHBondContact O-CB 3.49Å; H24-S27 PolarHBondContact O-N 2.94Å; H24-S27 VanDerWaalsContact O-N 3.11Å; H24-S27 PolarHBondContact O-OG 3.2Å; S27-Y30 PolarHBondContact O-N 3.47Å; S27-Y30 VanDerWaalsContact OG-CB 3.3Å; S27-Y30 WeakPolarHBondContact OG-CB 3.43Å; S27-Y30 PolarHBondContact OG-N 2.96Å; S27-R31 WeakPolarHBondContact O-CG 3.43Å; S27-R31 PolarHBondContact O-N 3.18Å; S27-R31 VanDerWaalsContact O-N 3.12Å |
| 28 | L | 96.9 | Very high | 95.9 | Very high | 124 Ų | 124 | 98 Ų | 98 | 65% | 0.649 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -58.5 | -45.5 | 178.3 | -63.6 | 174.2 | 0 | 0 | 0 | 112.9 | Y30 R31 Q32 | L28-Y30 VanDerWaalsContact C-N 3.33Å; L28-Y30 PolarHBondContact O-N 3.27Å; L28-R31 PolarHBondContact O-N 3.31Å; L28-Q32 WeakPolarHBondContact O-CB 3.5Å; L28-Q32 WeakPolarHBondContact O-CG 3.45Å; L28-Q32 PolarHBondContact O-N 3.24Å |
| 29 | P | 97 | Very high | 96.2 | Very high | 83 Ų | 83 | 104.4 Ų | 104.4 | 54% | 0.539 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60 | -42.5 | 179.9 | -24 | 35.3 | 0 | 0 | 0 | 112.4 | Q32 V33 | P29-Q32 PolarHBondContact O-N 3.25Å; P29-V33 WeakPolarHBondContact O-CG2 3.41Å; P29-V33 PolarHBondContact O-N 3.03Å |
| 30 | Y | 97.3 | Very high | 96.5 | Very high | 55 Ų | 55 | 105.7 Ų | 105.7 | 22% | 0.216 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -60.8 | -49.2 | 176.5 | -178.9 | -92.7 | 0 | 0 | 0 | 111.6 | H24 R25 S27 L28 Q32 V33 H34 | H24-Y30 AromaticContact CE1-CD2 3.22Å; H24-Y30 WeakPolarHBondContact CE1-CD2 3.39Å; H24-Y30 AromaticContact CE1-CE2 3.75Å; H24-Y30 AromaticContact ND1-CD2 3.45Å; H24-Y30 WeakPolarHBondContact ND1-CD2 3.32Å; H24-Y30 AromaticContact ND1-CE2 3.81Å; H24-Y30 WeakPolarHBondContact O-CB 3.44Å; R25-Y30 VanDerWaalsContact CA-CD1 3.44Å; R25-Y30 HydrophobicContact CB-CD1 4.15Å; R25-Y30 HydrophobicContact CB-CE1 3.87Å; R25-Y30 HydrophobicContact CG-CD1 4.25Å; R25-Y30 HydrophobicContact CG-CE1 3.58Å; R25-Y30 HydrophobicContact CG-CE2 4.38Å; R25-Y30 WeakPolarHBondContact O-CD1 3.46Å; S27-Y30 PolarHBondContact O-N 3.47Å; S27-Y30 VanDerWaalsContact OG-CB 3.3Å; S27-Y30 WeakPolarHBondContact OG-CB 3.43Å; S27-Y30 PolarHBondContact OG-N 2.96Å; L28-Y30 VanDerWaalsContact C-N 3.33Å; L28-Y30 PolarHBondContact O-N 3.27Å; Y30-Q32 VanDerWaalsContact C-N 3.31Å; Y30-Q32 PolarHBondContact O-N 3.33Å; Y30-V33 PolarHBondContact O-N 3.14Å; Y30-H34 AromaticContact CD1-CD2 3.7Å; Y30-H34 AromaticContact CD2-CD2 3.74Å; Y30-H34 AromaticContact CD2-NE2 3.91Å; Y30-H34 AromaticContact CE1-CD2 3.36Å; Y30-H34 WeakPolarHBondContact CE1-CD2 3.46Å; Y30-H34 AromaticContact CE1-CG 3.97Å; Y30-H34 AromaticContact CE1-NE2 3.64Å; Y30-H34 AromaticContact CE2-CD2 3.42Å; Y30-H34 VanDerWaalsContact CE2-CD2 3.42Å; Y30-H34 WeakPolarHBondContact CE2-CD2 3.39Å; Y30-H34 AromaticContact CE2-NE2 3.13Å; Y30-H34 WeakPolarHBondContact CE2-NE2 3.48Å; Y30-H34 AromaticContact CG-CD2 3.92Å; Y30-H34 AromaticContact CZ-CD2 3.23Å; Y30-H34 AromaticContact CZ-CE1 3.75Å; Y30-H34 AromaticContact CZ-NE2 2.98Å; Y30-H34 WeakPolarHBondContact O-CB 3.47Å; Y30-H34 PolarHBondContact O-CD2 3Å; Y30-H34 VanDerWaalsContact O-CD2 3.3Å; Y30-H34 PolarHBondContact O-N 3.24Å; Y30-H34 PolarHBondContact OH-CE1 2.77Å; Y30-H34 PolarHBondContact OH-NE2 3.25Å |
| 31 | R | 97.8 | Very high | 96.8 | Very high | 143 Ų | 143 | 106 Ų | 106 | 54% | 0.54 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 179.7 | -69.8 | 177 | 178.2 | -177.6 | 2.8 | 111.9 | A26 S27 L28 H34 A35 | A26-R31 VanDerWaalsContact O-CZ 3.29Å; A26-R31 PolarHBondContact O-NE 3.34Å; S27-R31 WeakPolarHBondContact O-CG 3.43Å; S27-R31 PolarHBondContact O-N 3.18Å; S27-R31 VanDerWaalsContact O-N 3.12Å; L28-R31 PolarHBondContact O-N 3.31Å; R31-H34 PolarHBondContact O-N 3.01Å; R31-A35 VanDerWaalsContact O-CB 3.25Å; R31-A35 WeakPolarHBondContact O-CB 3.42Å; R31-A35 PolarHBondContact O-N 3.28Å |
| 32 | Q | 98.3 | Very high | 97.1 | Very high | 132 Ų | 132 | 101.3 Ų | 101.3 | 62% | 0.617 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -64.4 | -47.3 | 177.5 | -75.1 | 173.9 | -23.4 | 0 | 0 | 112.2 | L28 P29 Y30 H34 A35 N36 | L28-Q32 WeakPolarHBondContact O-CB 3.5Å; L28-Q32 WeakPolarHBondContact O-CG 3.45Å; L28-Q32 PolarHBondContact O-N 3.24Å; P29-Q32 PolarHBondContact O-N 3.25Å; Y30-Q32 VanDerWaalsContact C-N 3.31Å; Y30-Q32 PolarHBondContact O-N 3.33Å; Q32-H34 VanDerWaalsContact C-N 3.32Å; Q32-H34 PolarHBondContact O-N 3.19Å; Q32-A35 PolarHBondContact O-N 3.37Å; Q32-N36 WeakPolarHBondContact O-CB 3.43Å; Q32-N36 PolarHBondContact O-N 3Å |
| 33 | V | 97.9 | Very high | 97.3 | Very high | 74 Ų | 74 | 99.4 Ų | 99.4 | 45% | 0.448 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.8 | -43.8 | 176.6 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | P29 Y30 N36 R37 | P29-V33 WeakPolarHBondContact O-CG2 3.41Å; P29-V33 PolarHBondContact O-N 3.03Å; Y30-V33 PolarHBondContact O-N 3.14Å; V33-N36 PolarHBondContact O-N 3.39Å; V33-R37 WeakPolarHBondContact O-CG 3.37Å; V33-R37 PolarHBondContact O-N 3.14Å |
| 34 | H | 97.5 | Very high | 97.6 | Very high | 74 Ų | 74 | 98.7 Ų | 98.7 | 34% | 0.343 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 177.5 | -88 | -88.5 | 0 | 0 | 0 | 113 | Y30 R31 Q32 N36 R37 E38 | Y30-H34 AromaticContact CD1-CD2 3.7Å; Y30-H34 AromaticContact CD2-CD2 3.74Å; Y30-H34 AromaticContact CD2-NE2 3.91Å; Y30-H34 AromaticContact CE1-CD2 3.36Å; Y30-H34 WeakPolarHBondContact CE1-CD2 3.46Å; Y30-H34 AromaticContact CE1-CG 3.97Å; Y30-H34 AromaticContact CE1-NE2 3.64Å; Y30-H34 AromaticContact CE2-CD2 3.42Å; Y30-H34 VanDerWaalsContact CE2-CD2 3.42Å; Y30-H34 WeakPolarHBondContact CE2-CD2 3.39Å; Y30-H34 AromaticContact CE2-NE2 3.13Å; Y30-H34 WeakPolarHBondContact CE2-NE2 3.48Å; Y30-H34 AromaticContact CG-CD2 3.92Å; Y30-H34 AromaticContact CZ-CD2 3.23Å; Y30-H34 AromaticContact CZ-CE1 3.75Å; Y30-H34 AromaticContact CZ-NE2 2.98Å; Y30-H34 WeakPolarHBondContact O-CB 3.47Å; Y30-H34 PolarHBondContact O-CD2 3Å; Y30-H34 VanDerWaalsContact O-CD2 3.3Å; Y30-H34 PolarHBondContact O-N 3.24Å; Y30-H34 PolarHBondContact OH-CE1 2.77Å; Y30-H34 PolarHBondContact OH-NE2 3.25Å; R31-H34 PolarHBondContact O-N 3.01Å; Q32-H34 VanDerWaalsContact C-N 3.32Å; Q32-H34 PolarHBondContact O-N 3.19Å; H34-N36 VanDerWaalsContact C-N 3.31Å; H34-N36 PolarHBondContact O-N 3.43Å; H34-R37 PolarHBondContact O-N 2.98Å; H34-E38 PolarHBondContact O-N 2.81Å |
| 35 | A | 98.3 | Very high | 97.8 | Very high | 41 Ų | 41 | 98 Ų | 98 | 34% | 0.339 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.8 | -40.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | R31 Q32 E38 R39 | R31-A35 VanDerWaalsContact O-CB 3.25Å; R31-A35 WeakPolarHBondContact O-CB 3.42Å; R31-A35 PolarHBondContact O-N 3.28Å; Q32-A35 PolarHBondContact O-N 3.37Å; A35-E38 PolarHBondContact O-N 3.08Å; A35-R39 WeakPolarHBondContact O-CG 3.48Å; A35-R39 PolarHBondContact O-N 2.94Å |
| 36 | N | 98.4 | Very high | 97.9 | Very high | 82 Ų | 82 | 94.1 Ų | 94.1 | 44% | 0.439 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.5 | -45 | 176.3 | -170 | 60 | 0 | 0 | 0 | 112.1 | Q32 V33 H34 E38 R39 L40 | Q32-N36 WeakPolarHBondContact O-CB 3.43Å; Q32-N36 PolarHBondContact O-N 3Å; V33-N36 PolarHBondContact O-N 3.39Å; H34-N36 VanDerWaalsContact C-N 3.31Å; H34-N36 PolarHBondContact O-N 3.43Å; N36-E38 VanDerWaalsContact C-N 3.28Å; N36-E38 PolarHBondContact O-N 3.13Å; N36-R39 PolarHBondContact O-N 3.17Å; N36-L40 WeakPolarHBondContact O-CG 3.35Å; N36-L40 PolarHBondContact O-N 3.34Å |
| 37 | R | 98.6 | Very high | 98 | Very high | 153 Ų | 153 | 98.1 Ų | 98.1 | 58% | 0.577 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -57.6 | -42.8 | 174.8 | -72.7 | 173.2 | -179.8 | -173.3 | -0.6 | 111.8 | V33 H34 L40 R41 | V33-R37 WeakPolarHBondContact O-CG 3.37Å; V33-R37 PolarHBondContact O-N 3.14Å; H34-R37 PolarHBondContact O-N 2.98Å; R37-L40 PolarHBondContact O-N 3.33Å; R37-R41 PolarHBondContact O-N 2.77Å |
| 38 | E | 98.5 | Very high | 98.2 | Very high | 90 Ų | 90 | 98.7 Ų | 98.7 | 42% | 0.421 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.3 | -37.9 | 179.4 | -177.2 | 58.3 | -168.9 | 0 | 0 | 112.4 | H34 A35 N36 R41 V42 | H34-E38 PolarHBondContact O-N 2.81Å; A35-E38 PolarHBondContact O-N 3.08Å; N36-E38 VanDerWaalsContact C-N 3.28Å; N36-E38 PolarHBondContact O-N 3.13Å; E38-R41 WeakPolarHBondContact O-CB 3.25Å; E38-R41 PolarHBondContact O-N 3.08Å; E38-R41 IonicContact OE1-CZ 3.36Å; E38-R41 IonicContact OE1-NE 3.3Å; E38-R41 PolarHBondContact OE1-NE 2.94Å; E38-R41 IonicContact OE1-NH2 2.64Å; E38-R41 PolarHBondContact OE1-NH2 3.05Å; E38-R41 IonicContact OE2-CZ 3.67Å; E38-R41 IonicContact OE2-NE 2.81Å; E38-R41 PolarHBondContact OE2-NE 2.96Å; E38-R41 IonicContact OE2-NH2 3.68Å; E38-V42 WeakPolarHBondContact O-CG2 3.41Å; E38-V42 PolarHBondContact O-N 2.87Å |
| 39 | R | 98.7 | Very high | 98.2 | Very high | 174 Ų | 174 | 94 Ų | 94 | 66% | 0.657 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -59.8 | -47.3 | 172.2 | -71.3 | 173.7 | -167.1 | 154.6 | 0.4 | 111.7 | A35 N36 R41 V42 E43 | A35-R39 WeakPolarHBondContact O-CG 3.48Å; A35-R39 PolarHBondContact O-N 2.94Å; N36-R39 PolarHBondContact O-N 3.17Å; R39-R41 VanDerWaalsContact C-N 3.3Å; R39-R41 PolarHBondContact O-N 2.87Å; R39-V42 PolarHBondContact O-N 3.36Å; R39-E43 WeakPolarHBondContact O-CB 3.32Å; R39-E43 PolarHBondContact O-N 3.22Å |
| 40 | L | 98.7 | Very high | 98.2 | Very high | 93 Ų | 93 | 95.3 Ų | 95.3 | 49% | 0.487 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.1 | -39.7 | 177.5 | -67.9 | 172.5 | 0 | 0 | 0 | 111.9 | N36 R37 E43 S44 | N36-L40 WeakPolarHBondContact O-CG 3.35Å; N36-L40 PolarHBondContact O-N 3.34Å; R37-L40 PolarHBondContact O-N 3.33Å; L40-E43 PolarHBondContact O-N 3.5Å; L40-S44 WeakPolarHBondContact O-CB 3.47Å; L40-S44 PolarHBondContact O-N 3.34Å |
| 41 | R | 98.7 | Very high | 98.2 | Very high | 140 Ų | 140 | 98.2 Ų | 98.2 | 53% | 0.528 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61.3 | -45.5 | 175.2 | -168.2 | -171 | 70.8 | 76.2 | -1.3 | 111.5 | R37 E38 R39 F45 | R37-R41 PolarHBondContact O-N 2.77Å; E38-R41 WeakPolarHBondContact O-CB 3.25Å; E38-R41 PolarHBondContact O-N 3.08Å; E38-R41 IonicContact OE1-CZ 3.36Å; E38-R41 IonicContact OE1-NE 3.3Å; E38-R41 PolarHBondContact OE1-NE 2.94Å; E38-R41 IonicContact OE1-NH2 2.64Å; E38-R41 PolarHBondContact OE1-NH2 3.05Å; E38-R41 IonicContact OE2-CZ 3.67Å; E38-R41 IonicContact OE2-NE 2.81Å; E38-R41 PolarHBondContact OE2-NE 2.96Å; E38-R41 IonicContact OE2-NH2 3.68Å; R39-R41 VanDerWaalsContact C-N 3.3Å; R39-R41 PolarHBondContact O-N 2.87Å; R41-F45 WeakPolarHBondContact O-CB 3.4Å; R41-F45 PolarHBondContact O-N 3.38Å; R41-F45 VanDerWaalsContact O-N 3.09Å |
| 42 | V | 98.7 | Very high | 98.2 | Very high | 56 Ų | 56 | 94 Ų | 94 | 34% | 0.339 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.8 | -37.8 | 178 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | E38 R39 F45 N46 | E38-V42 WeakPolarHBondContact O-CG2 3.41Å; E38-V42 PolarHBondContact O-N 2.87Å; R39-V42 PolarHBondContact O-N 3.36Å; V42-F45 PolarHBondContact O-N 3.09Å; V42-N46 WeakPolarHBondContact O-CB 3.36Å; V42-N46 PolarHBondContact O-N 3.17Å; V42-N46 PolarHBondContact O-ND2 3.19Å |
| 43 | E | 98.6 | Very high | 98.1 | Very high | 127 Ų | 127 | 89.4 Ų | 89.4 | 59% | 0.593 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -62.3 | -49.7 | 175.5 | -174.9 | -178.9 | 178.5 | 0 | 0 | 111.6 | R39 L40 F45 N46 H47 | R39-E43 WeakPolarHBondContact O-CB 3.32Å; R39-E43 PolarHBondContact O-N 3.22Å; L40-E43 PolarHBondContact O-N 3.5Å; E43-F45 VanDerWaalsContact C-N 3.28Å; E43-F45 PolarHBondContact O-N 3.35Å; E43-N46 PolarHBondContact O-N 3.04Å; E43-N46 VanDerWaalsContact O-N 3.08Å; E43-H47 PolarHBondContact O-N 3.23Å |
| 44 | S | 98.4 | Very high | 98 | Very high | 84 Ų | 84 | 90.7 Ų | 90.7 | 59% | 0.587 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -56 | -44.2 | 174.6 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | L40 N46 H47 A48 | L40-S44 WeakPolarHBondContact O-CB 3.47Å; L40-S44 PolarHBondContact O-N 3.34Å; S44-N46 PolarHBondContact O-N 3.35Å; S44-H47 PolarHBondContact O-N 2.98Å; S44-A48 PolarHBondContact O-N 3.37Å |
| 45 | F | 98.3 | Very high | 98 | Very high | 96 Ų | 96 | 92.9 Ų | 92.9 | 42% | 0.421 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 175.8 | -175.3 | -97.4 | 0 | 0 | 0 | 112.3 | R41 V42 E43 A48 F49 K67 | R41-F45 WeakPolarHBondContact O-CB 3.4Å; R41-F45 PolarHBondContact O-N 3.38Å; R41-F45 VanDerWaalsContact O-N 3.09Å; V42-F45 PolarHBondContact O-N 3.09Å; E43-F45 VanDerWaalsContact C-N 3.28Å; E43-F45 PolarHBondContact O-N 3.35Å; F45-A48 PolarHBondContact O-N 2.99Å; F45-F49 AromaticContact CD1-CD2 3.91Å; F45-F49 HydrophobicContact CD1-CD2 3.91Å; F45-F49 AromaticContact CD1-CE2 3.94Å; F45-F49 HydrophobicContact CD1-CE2 3.94Å; F45-F49 HydrophobicContact CD2-CE2 4.42Å; F45-F49 AromaticContact CE1-CD2 3.63Å; F45-F49 HydrophobicContact CE1-CD2 3.63Å; F45-F49 AromaticContact CE1-CE2 3.21Å; F45-F49 HydrophobicContact CE1-CE2 3.21Å; F45-F49 HydrophobicContact CE1-CZ 4.05Å; F45-F49 HydrophobicContact CE2-CD2 4.47Å; F45-F49 AromaticContact CE2-CE2 3.78Å; F45-F49 HydrophobicContact CE2-CE2 3.78Å; F45-F49 HydrophobicContact CG-CD2 4.48Å; F45-F49 AromaticContact CZ-CD2 3.98Å; F45-F49 HydrophobicContact CZ-CD2 3.98Å; F45-F49 AromaticContact CZ-CE2 3.16Å; F45-F49 HydrophobicContact CZ-CE2 3.16Å; F45-F49 AromaticContact CZ-CZ 3.91Å; F45-F49 HydrophobicContact CZ-CZ 3.91Å; F45-F49 WeakPolarHBondContact O-CD2 3.49Å; F45-F49 PolarHBondContact O-N 2.99Å; F45-F49 VanDerWaalsContact O-N 3.17Å; F45-K67 HydrophobicContact CE1-CD 4.19Å |
| 46 | N | 98.1 | Very high | 97.9 | Very high | 68 Ų | 68 | 91.8 Ų | 91.8 | 36% | 0.364 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.4 | -35.6 | 178.3 | -69.7 | -21.6 | 0 | 0 | 0 | 112.3 | V42 E43 S44 A48 F49 Q50 K67 | V42-N46 WeakPolarHBondContact O-CB 3.36Å; V42-N46 PolarHBondContact O-N 3.17Å; V42-N46 PolarHBondContact O-ND2 3.19Å; E43-N46 PolarHBondContact O-N 3.04Å; E43-N46 VanDerWaalsContact O-N 3.08Å; S44-N46 PolarHBondContact O-N 3.35Å; N46-A48 VanDerWaalsContact C-N 3.35Å; N46-F49 WeakPolarHBondContact O-CB 3.42Å; N46-F49 PolarHBondContact O-N 2.83Å; N46-Q50 PolarHBondContact O-N 3.31Å; N46-K67 WeakPolarHBondContact OD1-CE 3.45Å; N46-K67 PolarHBondContact OD1-NZ 3.41Å |
| 47 | H | 98.5 | Very high | 97.8 | Very high | 132 Ų | 132 | 91.1 Ų | 91.1 | 61% | 0.611 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -59.2 | -46.5 | 173.4 | -176.4 | -82.9 | 0 | 0 | 0 | 111 | E43 S44 F49 Q50 E51 | E43-H47 PolarHBondContact O-N 3.23Å; S44-H47 PolarHBondContact O-N 2.98Å; H47-F49 VanDerWaalsContact C-N 3.3Å; H47-F49 PolarHBondContact O-N 2.94Å; H47-Q50 WeakPolarHBondContact O-CB 3.45Å; H47-Q50 PolarHBondContact O-N 2.81Å; H47-E51 PolarHBondContact O-N 2.64Å |
| 48 | A | 98.4 | Very high | 97.7 | Very high | 52 Ų | 52 | 85.4 Ų | 85.4 | 43% | 0.43 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.6 | -37.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | S44 F45 N46 Q50 L52 | S44-A48 PolarHBondContact O-N 3.37Å; F45-A48 PolarHBondContact O-N 2.99Å; N46-A48 VanDerWaalsContact C-N 3.35Å; A48-Q50 VanDerWaalsContact C-N 3.35Å; A48-L52 WeakPolarHBondContact O-CB 3.13Å; A48-L52 PolarHBondContact O-N 3.3Å |
| 49 | F | 98.4 | Very high | 97.4 | Very high | 26 Ų | 26 | 88.2 Ų | 88.2 | 11% | 0.114 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -66.2 | -36.3 | 173 | -92.7 | -95 | 0 | 0 | 0 | 112.9 | F45 N46 H47 R53 K67 I70 L71 | F45-F49 AromaticContact CD1-CD2 3.91Å; F45-F49 HydrophobicContact CD1-CD2 3.91Å; F45-F49 AromaticContact CD1-CE2 3.94Å; F45-F49 HydrophobicContact CD1-CE2 3.94Å; F45-F49 HydrophobicContact CD2-CE2 4.42Å; F45-F49 AromaticContact CE1-CD2 3.63Å; F45-F49 HydrophobicContact CE1-CD2 3.63Å; F45-F49 AromaticContact CE1-CE2 3.21Å; F45-F49 HydrophobicContact CE1-CE2 3.21Å; F45-F49 HydrophobicContact CE1-CZ 4.05Å; F45-F49 HydrophobicContact CE2-CD2 4.47Å; F45-F49 AromaticContact CE2-CE2 3.78Å; F45-F49 HydrophobicContact CE2-CE2 3.78Å; F45-F49 HydrophobicContact CG-CD2 4.48Å; F45-F49 AromaticContact CZ-CD2 3.98Å; F45-F49 HydrophobicContact CZ-CD2 3.98Å; F45-F49 AromaticContact CZ-CE2 3.16Å; F45-F49 HydrophobicContact CZ-CE2 3.16Å; F45-F49 AromaticContact CZ-CZ 3.91Å; F45-F49 HydrophobicContact CZ-CZ 3.91Å; F45-F49 WeakPolarHBondContact O-CD2 3.49Å; F45-F49 PolarHBondContact O-N 2.99Å; F45-F49 VanDerWaalsContact O-N 3.17Å; N46-F49 WeakPolarHBondContact O-CB 3.42Å; N46-F49 PolarHBondContact O-N 2.83Å; H47-F49 VanDerWaalsContact C-N 3.3Å; H47-F49 PolarHBondContact O-N 2.94Å; F49-R53 VanDerWaalsContact O-CB 3.29Å; F49-R53 WeakPolarHBondContact O-CB 3.34Å; F49-R53 PolarHBondContact O-N 2.89Å; F49-K67 HydrophobicContact CD1-CB 4.02Å; F49-K67 HydrophobicContact CD1-CG 3.82Å; F49-K67 HydrophobicContact CE1-CB 3.53Å; F49-K67 HydrophobicContact CE1-CD 4.43Å; F49-K67 HydrophobicContact CE1-CG 3.8Å; F49-K67 HydrophobicContact CG-CG 4.33Å; F49-K67 HydrophobicContact CZ-CB 4.1Å; F49-K67 HydrophobicContact CZ-CD 4.49Å; F49-K67 HydrophobicContact CZ-CG 4.33Å; F49-I70 HydrophobicContact CD1-CB 4.32Å; F49-I70 HydrophobicContact CD1-CD1 4.01Å; F49-I70 HydrophobicContact CD1-CG2 4.12Å; F49-I70 HydrophobicContact CE1-CG2 4.43Å; F49-L71 HydrophobicContact CE1-CD1 4.48Å; F49-L71 HydrophobicContact CE1-CD2 4.24Å; F49-L71 HydrophobicContact CE1-CG 4.07Å; F49-L71 HydrophobicContact CZ-CD1 4.26Å; F49-L71 HydrophobicContact CZ-CD2 4.15Å; F49-L71 HydrophobicContact CZ-CG 4.21Å |
| 50 | Q | 96.5 | Very high | 97.2 | Very high | 109 Ų | 109 | 83 Ų | 83 | 51% | 0.509 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.4 | -42.3 | 177.7 | -174.7 | 59.5 | 30.2 | 0 | 0 | 111 | N46 H47 A48 R53 T54 | N46-Q50 PolarHBondContact O-N 3.31Å; H47-Q50 WeakPolarHBondContact O-CB 3.45Å; H47-Q50 PolarHBondContact O-N 2.81Å; A48-Q50 VanDerWaalsContact C-N 3.35Å; Q50-R53 WeakPolarHBondContact O-CB 3.38Å; Q50-R53 PolarHBondContact O-N 3.37Å; Q50-T54 WeakPolarHBondContact O-CG2 3.3Å; Q50-T54 PolarHBondContact O-N 3.33Å |
| 51 | E | 97.5 | Very high | 96.7 | Very high | 117 Ų | 117 | 83.8 Ų | 83.8 | 55% | 0.547 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -63.6 | -47.2 | 174.4 | -172.1 | -178.5 | 179 | 0 | 0 | 111.7 | H47 R53 T54 | H47-E51 PolarHBondContact O-N 2.64Å; E51-R53 PolarHBondContact O-N 3.45Å; E51-T54 PolarHBondContact O-N 3.01Å; E51-T54 VanDerWaalsContact O-N 3.14Å; E51-T54 PolarHBondContact O-OG1 3.32Å |
| 52 | L | 97.9 | Very high | 96.2 | Very high | 54 Ų | 54 | 82.6 Ų | 82.6 | 28% | 0.283 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -56.7 | -41.4 | 174.9 | 176.9 | 58.4 | 0 | 0 | 0 | 111.3 | A48 T54 L55 L56 I70 L71 A74 | A48-L52 WeakPolarHBondContact O-CB 3.13Å; A48-L52 PolarHBondContact O-N 3.3Å; L52-T54 VanDerWaalsContact C-N 3.31Å; L52-T54 PolarHBondContact O-N 3.37Å; L52-L55 PolarHBondContact O-N 2.83Å; L52-L56 WeakPolarHBondContact O-CG 3.19Å; L52-I70 HydrophobicContact CB-CG2 4.45Å; L52-I70 HydrophobicContact CD2-CG2 3.65Å; L52-I70 HydrophobicContact CG-CG2 3.86Å; L52-L71 HydrophobicContact CD2-CD2 4.44Å; L52-A74 HydrophobicContact CD1-CB 4.19Å; L52-A74 HydrophobicContact CD2-CB 4.34Å |
| 53 | R | 96.6 | Very high | 96 | Very high | 35 Ų | 35 | 84.6 Ų | 84.6 | 13% | 0.132 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -62.2 | -34.6 | 180 | 175 | -173.5 | 161.9 | 105.5 | 11.4 | 112.9 | F49 Q50 E51 L55 L56 P61 D62 K63 M65 I70 | F49-R53 VanDerWaalsContact O-CB 3.29Å; F49-R53 WeakPolarHBondContact O-CB 3.34Å; F49-R53 PolarHBondContact O-N 2.89Å; Q50-R53 WeakPolarHBondContact O-CB 3.38Å; Q50-R53 PolarHBondContact O-N 3.37Å; E51-R53 PolarHBondContact O-N 3.45Å; R53-L55 PolarHBondContact O-N 3.45Å; R53-L56 PolarHBondContact O-N 3.02Å; R53-P61 PolarHBondContact NH2-O 3.35Å; R53-D62 PolarHBondContact NH2-O 2.91Å; R53-K63 PolarHBondContact NH1-O 3.12Å; R53-K63 PolarHBondContact NH2-O 3.05Å; R53-M65 VanDerWaalsContact NH1-N 3.13Å; R53-I70 HydrophobicContact CB-CD1 4.26Å |
| 54 | T | 95 | Very high | 95.7 | Very high | 101 Ų | 101 | 87.5 Ų | 87.5 | 62% | 0.62 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -69.2 | -20.5 | 179.4 | 61.9 | 0 | 0 | 0 | 0 | 112.8 | Q50 E51 L52 | Q50-T54 WeakPolarHBondContact O-CG2 3.3Å; Q50-T54 PolarHBondContact O-N 3.33Å; E51-T54 PolarHBondContact O-N 3.01Å; E51-T54 VanDerWaalsContact O-N 3.14Å; E51-T54 PolarHBondContact O-OG1 3.32Å; L52-T54 VanDerWaalsContact C-N 3.31Å; L52-T54 PolarHBondContact O-N 3.37Å |
| 55 | L | 96.7 | Very high | 95.6 | Very high | 121 Ų | 121 | 85.1 Ų | 85.1 | 63% | 0.634 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -11.7 | 177.2 | -57 | 174.3 | 0 | 0 | 0 | 113.2 | L52 R53 | L52-L55 PolarHBondContact O-N 2.83Å; R53-L55 PolarHBondContact O-N 3.45Å |
| 56 | L | 97.3 | Very high | 95.6 | Very high | 17 Ų | 17 | 84.4 Ų | 84.4 | 9% | 0.089 | 45% | 0.448 | C | S | . | . | S | Bend | trans | -89.1 | 139.9 | -174.4 | -61.4 | -177 | 0 | 0 | 0 | 112.4 | L52 R53 V58 I70 L73 A74 | L52-L56 WeakPolarHBondContact O-CG 3.19Å; R53-L56 PolarHBondContact O-N 3.02Å; L56-V58 HydrophobicContact CB-CG2 4.03Å; L56-V58 PolarHBondContact O-N 3.45Å; L56-I70 HydrophobicContact CD1-CB 4.43Å; L56-I70 HydrophobicContact CD1-CG2 3.89Å; L56-I70 WeakPolarHBondContact CD1-O 3.49Å; L56-L73 HydrophobicContact CB-CD2 3.98Å; L56-L73 HydrophobicContact CB-CG 4.48Å; L56-L73 HydrophobicContact CD1-CB 4.19Å; L56-L73 HydrophobicContact CD1-CD2 4.07Å; L56-L73 HydrophobicContact CD1-CG 4.21Å; L56-A74 HydrophobicContact CD1-CB 4.4Å; L56-A74 HydrophobicContact CD2-CB 3.81Å |
| 57 | P | 96.5 | Very high | 95.6 | Very high | 69 Ų | 69 | 85.4 Ų | 85.4 | 45% | 0.448 | 45% | 0.449 | S | S | . | . | trans | -76.9 | 95 | 177.5 | 32.1 | -35.5 | 0 | 0 | 0 | 110.6 | Y77 | P57-Y77 HydrophobicContact CG-CD1 4.19Å; P57-Y77 HydrophobicContact CG-CD2 3.69Å; P57-Y77 HydrophobicContact CG-CE1 4.18Å; P57-Y77 HydrophobicContact CG-CE2 3.7Å; P57-Y77 HydrophobicContact CG-CG 3.95Å | ||
| 58 | V | 95.3 | Very high | 95.6 | Very high | 32 Ų | 32 | 83.1 Ų | 83.1 | 19% | 0.194 | 44% | 0.444 | C | S | . | . | trans | -126.3 | 135.2 | -176.2 | -176.4 | 0 | 0 | 0 | 0 | 111.3 | L56 K63 M65 L73 | L56-V58 HydrophobicContact CB-CG2 4.03Å; L56-V58 PolarHBondContact O-N 3.45Å; V58-K63 HydrophobicContact CG1-CB 3.76Å; V58-K63 HydrophobicContact CG1-CD 3.47Å; V58-K63 VanDerWaalsContact CG1-CD 3.47Å; V58-K63 HydrophobicContact CG1-CG 4.25Å; V58-M65 HydrophobicContact CB-SD 4.48Å; V58-M65 HydrophobicContact CG1-SD 4.09Å; V58-M65 HydrophobicContact CG2-CE 4.5Å; V58-M65 HydrophobicContact CG2-SD 3.57Å; V58-M65 VanDerWaalsContact CG2-SD 3.57Å; V58-L73 HydrophobicContact CG2-CD2 3.49Å; V58-L73 VanDerWaalsContact CG2-CD2 3.49Å | ||
| 59 | L | 93 | Very high | 95.5 | Very high | 150 Ų | 150 | 85 Ų | 85 | 79% | 0.785 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -120 | 134.6 | 170.4 | -162 | 73 | 0 | 0 | 0 | 111.2 | ||
| 60 | P | 93.4 | Very high | 95.5 | Very high | 65 Ų | 65 | 84.1 Ų | 84.1 | 42% | 0.422 | 44% | 0.44 | S | S | . | . | S | Bend | cis | -68 | 162.6 | -13.4 | 32.8 | -38.2 | 0 | 0 | 0 | 112 | D62 K63 | P60-D62 VanDerWaalsContact CB-OD1 3.27Å; P60-D62 WeakPolarHBondContact CB-OD1 3.28Å; P60-D62 VanDerWaalsContact CG-OD1 3.32Å; P60-D62 WeakPolarHBondContact CG-OD1 3.34Å; P60-D62 PolarHBondContact O-N 3.38Å; P60-D62 VanDerWaalsContact O-N 3.1Å; P60-K63 HydrophobicContact CG-CB 4.17Å; P60-K63 WeakPolarHBondContact O-CB 3.22Å; P60-K63 PolarHBondContact O-N 3.22Å |
| 61 | P | 88.5 | Confident | 95.7 | Very high | 108 Ų | 108 | 83.1 Ų | 83.1 | 70% | 0.701 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -29 | -176.9 | -26.3 | 35.4 | 0 | 0 | 0 | 114.3 | R53 | R53-P61 PolarHBondContact NH2-O 3.35Š|
| 62 | D | 89.5 | Confident | 95.7 | Very high | 116 Ų | 116 | 86.2 Ų | 86.2 | 62% | 0.62 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -0.5 | -179.5 | 68.7 | -39.1 | 0 | 0 | 0 | 114 | R53 P60 K64 | R53-D62 PolarHBondContact NH2-O 2.91Å; P60-D62 VanDerWaalsContact CB-OD1 3.27Å; P60-D62 WeakPolarHBondContact CB-OD1 3.28Å; P60-D62 VanDerWaalsContact CG-OD1 3.32Å; P60-D62 WeakPolarHBondContact CG-OD1 3.34Å; P60-D62 PolarHBondContact O-N 3.38Å; P60-D62 VanDerWaalsContact O-N 3.1Å; D62-K64 PolarHBondContact O-N 3.39Å |
| 63 | K | 93.8 | Very high | 95.7 | Very high | 98 Ų | 98 | 86.1 Ų | 86.1 | 43% | 0.426 | 44% | 0.444 | S | S | . | . | trans | -50.6 | 113 | -178.7 | -177.3 | -157.2 | -174.5 | 79.9 | 0 | 111.9 | R53 V58 P60 M65 | R53-K63 PolarHBondContact NH1-O 3.12Å; R53-K63 PolarHBondContact NH2-O 3.05Å; V58-K63 HydrophobicContact CG1-CB 3.76Å; V58-K63 HydrophobicContact CG1-CD 3.47Å; V58-K63 VanDerWaalsContact CG1-CD 3.47Å; V58-K63 HydrophobicContact CG1-CG 4.25Å; P60-K63 HydrophobicContact CG-CB 4.17Å; P60-K63 WeakPolarHBondContact O-CB 3.22Å; P60-K63 PolarHBondContact O-N 3.22Å; K63-M65 HydrophobicContact CD-CG 4.34Å; K63-M65 PolarHBondContact O-N 3.37Å | ||
| 64 | K | 93 | Very high | 95.8 | Very high | 187 Ų | 187 | 85 Ų | 85 | 81% | 0.813 | 44% | 0.442 | S | S | * | . | trans | -59.9 | 132.5 | 177.7 | -59.6 | -60.7 | -177.8 | -176.1 | 0 | 110.9 | D62 | D62-K64 PolarHBondContact O-N 3.39Š| ||
| 65 | M | 95.6 | Very high | 96 | Very high | 34 Ų | 34 | 84.5 Ų | 84.5 | 17% | 0.167 | 44% | 0.439 | C | S | . | . | trans | -129 | 138.4 | 179.9 | -68.8 | -177.3 | 72.6 | 0 | 0 | 109.6 | R53 V58 K63 Q69 I70 L73 | R53-M65 VanDerWaalsContact NH1-N 3.13Å; V58-M65 HydrophobicContact CB-SD 4.48Å; V58-M65 HydrophobicContact CG1-SD 4.09Å; V58-M65 HydrophobicContact CG2-CE 4.5Å; V58-M65 HydrophobicContact CG2-SD 3.57Å; V58-M65 VanDerWaalsContact CG2-SD 3.57Å; K63-M65 HydrophobicContact CD-CG 4.34Å; K63-M65 PolarHBondContact O-N 3.37Å; M65-Q69 HydrophobicContact CB-CB 4.41Å; M65-Q69 HydrophobicContact CE-CB 3.84Å; M65-I70 HydrophobicContact CB-CD1 4.3Å; M65-I70 HydrophobicContact CB-CG1 3.82Å; M65-I70 HydrophobicContact CE-CG1 4.24Å; M65-I70 HydrophobicContact SD-CG1 4.39Å; M65-L73 HydrophobicContact CE-CB 4.12Å; M65-L73 HydrophobicContact CE-CD2 3.71Å; M65-L73 HydrophobicContact SD-CD2 4.34Å | ||
| 66 | T | 97.6 | Very high | 96.1 | Very high | 81 Ų | 81 | 82.4 Ų | 82.4 | 50% | 0.497 | 44% | 0.435 | S | S | . | . | trans | -74.7 | 160.2 | 171.2 | 70.7 | 0 | 0 | 0 | 0 | 110.6 | V68 Q69 I70 | T66-V68 VanDerWaalsContact C-N 3.25Å; T66-V68 PolarHBondContact O-N 2.98Å; T66-Q69 WeakPolarHBondContact O-CB 3.37Å; T66-Q69 PolarHBondContact O-N 3.35Å; T66-Q69 VanDerWaalsContact O-N 3.08Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.46Å; T66-Q69 PolarHBondContact OG1-N 3.17Å; T66-Q69 PolarHBondContact OG1-OE1 3.03Å; T66-I70 WeakPolarHBondContact O-CG1 3.22Å; T66-I70 PolarHBondContact O-N 3.3Å | ||
| 67 | K | 98.1 | Very high | 96.1 | Very high | 90 Ų | 90 | 85.2 Ų | 85.2 | 39% | 0.391 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -55.2 | -41.3 | 176.9 | -67 | -178.3 | 174.3 | -178.9 | 0 | 112.2 | F45 N46 F49 I70 L71 | F45-K67 HydrophobicContact CE1-CD 4.19Å; N46-K67 WeakPolarHBondContact OD1-CE 3.45Å; N46-K67 PolarHBondContact OD1-NZ 3.41Å; F49-K67 HydrophobicContact CD1-CB 4.02Å; F49-K67 HydrophobicContact CD1-CG 3.82Å; F49-K67 HydrophobicContact CE1-CB 3.53Å; F49-K67 HydrophobicContact CE1-CD 4.43Å; F49-K67 HydrophobicContact CE1-CG 3.8Å; F49-K67 HydrophobicContact CG-CG 4.33Å; F49-K67 HydrophobicContact CZ-CB 4.1Å; F49-K67 HydrophobicContact CZ-CD 4.49Å; F49-K67 HydrophobicContact CZ-CG 4.33Å; K67-I70 PolarHBondContact O-N 3.39Å; K67-L71 WeakPolarHBondContact O-CG 3.32Å; K67-L71 PolarHBondContact O-N 3.39Å; K67-L71 VanDerWaalsContact O-N 3.13Å |
| 68 | V | 98.4 | Very high | 96.2 | Very high | 84 Ų | 84 | 86.7 Ų | 86.7 | 51% | 0.509 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.2 | -39.5 | 178 | 178.8 | 0 | 0 | 0 | 0 | 111.5 | T66 L71 R72 | T66-V68 VanDerWaalsContact C-N 3.25Å; T66-V68 PolarHBondContact O-N 2.98Å; V68-L71 PolarHBondContact O-N 3.34Å; V68-R72 HydrophobicContact CG1-CG 4.45Å; V68-R72 WeakPolarHBondContact O-CG 3.46Å; V68-R72 PolarHBondContact O-N 2.66Å |
| 69 | Q | 98 | Very high | 96.3 | Very high | 90 Ų | 90 | 89 Ų | 89 | 42% | 0.421 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.1 | -41.8 | 176.4 | -73.8 | 171.6 | -36.9 | 0 | 0 | 112.1 | M65 T66 L71 R72 L73 | M65-Q69 HydrophobicContact CB-CB 4.41Å; M65-Q69 HydrophobicContact CE-CB 3.84Å; T66-Q69 WeakPolarHBondContact O-CB 3.37Å; T66-Q69 PolarHBondContact O-N 3.35Å; T66-Q69 VanDerWaalsContact O-N 3.08Å; T66-Q69 WeakPolarHBondContact OG1-CG 3.46Å; T66-Q69 PolarHBondContact OG1-N 3.17Å; T66-Q69 PolarHBondContact OG1-OE1 3.03Å; Q69-L71 VanDerWaalsContact C-N 3.34Å; Q69-L71 PolarHBondContact O-N 3.11Å; Q69-R72 PolarHBondContact O-N 3.11Å; Q69-L73 WeakPolarHBondContact O-CB 3.44Å; Q69-L73 PolarHBondContact O-N 2.88Å |
| 70 | I | 98.4 | Very high | 96.5 | Very high | 8 Ų | 8 | 88 Ų | 88 | 4% | 0.041 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -57.7 | -48.9 | 176.7 | -69.4 | 167.2 | 0 | 0 | 0 | 109.8 | F49 L52 R53 L56 M65 T66 K67 L73 A74 | F49-I70 HydrophobicContact CD1-CB 4.32Å; F49-I70 HydrophobicContact CD1-CD1 4.01Å; F49-I70 HydrophobicContact CD1-CG2 4.12Å; F49-I70 HydrophobicContact CE1-CG2 4.43Å; L52-I70 HydrophobicContact CB-CG2 4.45Å; L52-I70 HydrophobicContact CD2-CG2 3.65Å; L52-I70 HydrophobicContact CG-CG2 3.86Å; R53-I70 HydrophobicContact CB-CD1 4.26Å; L56-I70 HydrophobicContact CD1-CB 4.43Å; L56-I70 HydrophobicContact CD1-CG2 3.89Å; L56-I70 WeakPolarHBondContact CD1-O 3.49Å; M65-I70 HydrophobicContact CB-CD1 4.3Å; M65-I70 HydrophobicContact CB-CG1 3.82Å; M65-I70 HydrophobicContact CE-CG1 4.24Å; M65-I70 HydrophobicContact SD-CG1 4.39Å; T66-I70 WeakPolarHBondContact O-CG1 3.22Å; T66-I70 PolarHBondContact O-N 3.3Å; K67-I70 PolarHBondContact O-N 3.39Å; I70-L73 PolarHBondContact O-N 3.47Å; I70-A74 VanDerWaalsContact O-CB 3.31Å; I70-A74 WeakPolarHBondContact O-CB 3.44Å; I70-A74 PolarHBondContact O-N 2.91Å |
| 71 | L | 98.7 | Very high | 96.7 | Very high | 88 Ų | 88 | 88.1 Ų | 88.1 | 46% | 0.461 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.7 | -47.6 | 179.4 | -66.4 | 174.7 | 0 | 0 | 0 | 112.2 | F49 L52 K67 V68 Q69 L73 A74 T75 | F49-L71 HydrophobicContact CE1-CD1 4.48Å; F49-L71 HydrophobicContact CE1-CD2 4.24Å; F49-L71 HydrophobicContact CE1-CG 4.07Å; F49-L71 HydrophobicContact CZ-CD1 4.26Å; F49-L71 HydrophobicContact CZ-CD2 4.15Å; F49-L71 HydrophobicContact CZ-CG 4.21Å; L52-L71 HydrophobicContact CD2-CD2 4.44Å; K67-L71 WeakPolarHBondContact O-CG 3.32Å; K67-L71 PolarHBondContact O-N 3.39Å; K67-L71 VanDerWaalsContact O-N 3.13Å; V68-L71 PolarHBondContact O-N 3.34Å; Q69-L71 VanDerWaalsContact C-N 3.34Å; Q69-L71 PolarHBondContact O-N 3.11Å; L71-L73 VanDerWaalsContact C-N 3.35Å; L71-L73 PolarHBondContact O-N 3.17Å; L71-A74 PolarHBondContact O-N 3.04Å; L71-T75 PolarHBondContact O-N 2.99Å; L71-T75 PolarHBondContact O-OG1 3.41Å; L71-T75 VanDerWaalsContact O-OG1 3.14Å |
| 72 | R | 98.4 | Very high | 97.2 | Very high | 182 Ų | 182 | 87 Ų | 87 | 69% | 0.687 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59 | -46.6 | 178.5 | -75.2 | -179.5 | 175.2 | -173 | -1.8 | 111.7 | V68 Q69 T75 S76 | V68-R72 HydrophobicContact CG1-CG 4.45Å; V68-R72 WeakPolarHBondContact O-CG 3.46Å; V68-R72 PolarHBondContact O-N 2.66Å; Q69-R72 PolarHBondContact O-N 3.11Å; R72-T75 PolarHBondContact O-N 3.04Å; R72-S76 PolarHBondContact O-N 3.44Å; R72-S76 PolarHBondContact O-OG 3.28Å |
| 73 | L | 98.2 | Very high | 97.5 | Very high | 52 Ų | 52 | 85.2 Ų | 85.2 | 27% | 0.272 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 179.3 | -178.7 | 61 | 0 | 0 | 0 | 111.5 | L56 V58 M65 Q69 I70 L71 T75 S76 Y77 | L56-L73 HydrophobicContact CB-CD2 3.98Å; L56-L73 HydrophobicContact CB-CG 4.48Å; L56-L73 HydrophobicContact CD1-CB 4.19Å; L56-L73 HydrophobicContact CD1-CD2 4.07Å; L56-L73 HydrophobicContact CD1-CG 4.21Å; V58-L73 HydrophobicContact CG2-CD2 3.49Å; V58-L73 VanDerWaalsContact CG2-CD2 3.49Å; M65-L73 HydrophobicContact CE-CB 4.12Å; M65-L73 HydrophobicContact CE-CD2 3.71Å; M65-L73 HydrophobicContact SD-CD2 4.34Å; Q69-L73 WeakPolarHBondContact O-CB 3.44Å; Q69-L73 PolarHBondContact O-N 2.88Å; I70-L73 PolarHBondContact O-N 3.47Å; L71-L73 VanDerWaalsContact C-N 3.35Å; L71-L73 PolarHBondContact O-N 3.17Å; L73-T75 PolarHBondContact O-N 2.97Å; L73-S76 PolarHBondContact O-N 3.43Å; L73-Y77 VanDerWaalsContact O-CB 3.23Å; L73-Y77 WeakPolarHBondContact O-CB 3.38Å; L73-Y77 PolarHBondContact O-N 2.99Å |
| 74 | A | 98.7 | Very high | 97.6 | Very high | 11 Ų | 11 | 84.3 Ų | 84.3 | 9% | 0.091 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -57.8 | -48.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L52 L56 I70 L71 Y77 I78 | L52-A74 HydrophobicContact CD1-CB 4.19Å; L52-A74 HydrophobicContact CD2-CB 4.34Å; L56-A74 HydrophobicContact CD1-CB 4.4Å; L56-A74 HydrophobicContact CD2-CB 3.81Å; I70-A74 VanDerWaalsContact O-CB 3.31Å; I70-A74 WeakPolarHBondContact O-CB 3.44Å; I70-A74 PolarHBondContact O-N 2.91Å; L71-A74 PolarHBondContact O-N 3.04Å; A74-Y77 PolarHBondContact O-N 3.24Å; A74-I78 VanDerWaalsContact O-CG1 3.28Å; A74-I78 WeakPolarHBondContact O-CG1 3.35Å; A74-I78 PolarHBondContact O-N 3.36Å |
| 75 | T | 98.6 | Very high | 97.8 | Very high | 91 Ų | 91 | 80.9 Ų | 80.9 | 56% | 0.558 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -60.8 | -49.3 | 177.1 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | L71 R72 L73 Y77 I78 T79 | L71-T75 PolarHBondContact O-N 2.99Å; L71-T75 PolarHBondContact O-OG1 3.41Å; L71-T75 VanDerWaalsContact O-OG1 3.14Å; R72-T75 PolarHBondContact O-N 3.04Å; L73-T75 PolarHBondContact O-N 2.97Å; T75-Y77 VanDerWaalsContact C-N 3.27Å; T75-Y77 PolarHBondContact O-N 3.07Å; T75-I78 PolarHBondContact O-N 2.97Å; T75-T79 PolarHBondContact O-N 2.76Å; T75-T79 PolarHBondContact O-OG1 3.37Å |
| 76 | S | 98.3 | Very high | 97.7 | Very high | 77 Ų | 77 | 83.6 Ų | 83.6 | 54% | 0.538 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.3 | -37.8 | 177.9 | -65.9 | 0 | 0 | 0 | 0 | 112.4 | R72 L73 T79 Y80 | R72-S76 PolarHBondContact O-N 3.44Å; R72-S76 PolarHBondContact O-OG 3.28Å; L73-S76 PolarHBondContact O-N 3.43Å; S76-T79 PolarHBondContact O-N 2.92Å; S76-Y80 WeakPolarHBondContact O-CB 3.46Å; S76-Y80 PolarHBondContact O-N 3.29Å |
| 77 | Y | 98.2 | Very high | 97.2 | Very high | 76 Ų | 76 | 89 Ų | 89 | 30% | 0.298 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -70.7 | -41 | 179.8 | -172.6 | -132.4 | 0 | 0 | 0 | 112 | P57 L73 A74 T75 T79 Y80 L81 | P57-Y77 HydrophobicContact CG-CD1 4.19Å; P57-Y77 HydrophobicContact CG-CD2 3.69Å; P57-Y77 HydrophobicContact CG-CE1 4.18Å; P57-Y77 HydrophobicContact CG-CE2 3.7Å; P57-Y77 HydrophobicContact CG-CG 3.95Å; L73-Y77 VanDerWaalsContact O-CB 3.23Å; L73-Y77 WeakPolarHBondContact O-CB 3.38Å; L73-Y77 PolarHBondContact O-N 2.99Å; A74-Y77 PolarHBondContact O-N 3.24Å; T75-Y77 VanDerWaalsContact C-N 3.27Å; T75-Y77 PolarHBondContact O-N 3.07Å; Y77-T79 VanDerWaalsContact C-N 3.32Å; Y77-T79 PolarHBondContact O-N 2.95Å; Y77-Y80 HydrophobicContact CD2-CD1 4Å; Y77-Y80 AromaticContact CE2-CD1 4Å; Y77-Y80 HydrophobicContact CE2-CD1 4Å; Y77-Y80 HydrophobicContact CE2-CE1 4.45Å; Y77-Y80 WeakPolarHBondContact O-CB 3.39Å; Y77-Y80 PolarHBondContact O-N 3.15Å; Y77-L81 HydrophobicContact CD1-CD1 4.15Å; Y77-L81 HydrophobicContact CD2-CG 4.28Å; Y77-L81 HydrophobicContact CE1-CD1 3.82Å; Y77-L81 HydrophobicContact CE1-CG 4.42Å; Y77-L81 HydrophobicContact CE2-CD1 4.29Å; Y77-L81 HydrophobicContact CE2-CD2 3.93Å; Y77-L81 HydrophobicContact CE2-CG 3.99Å; Y77-L81 WeakPolarHBondContact O-CG 3.06Å; Y77-L81 PolarHBondContact O-N 3.15Å |
| 78 | I | 98.4 | Very high | 96.1 | Very high | 101 Ų | 101 | 91.4 Ų | 91.4 | 52% | 0.518 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -58 | -46 | 171.9 | -68.9 | 163.7 | 0 | 0 | 0 | 110.5 | A74 T75 Y80 L81 N82 | A74-I78 VanDerWaalsContact O-CG1 3.28Å; A74-I78 WeakPolarHBondContact O-CG1 3.35Å; A74-I78 PolarHBondContact O-N 3.36Å; T75-I78 PolarHBondContact O-N 2.97Å; I78-Y80 VanDerWaalsContact C-N 3.34Å; I78-Y80 PolarHBondContact O-N 3.38Å; I78-L81 PolarHBondContact O-N 3.47Å; I78-N82 PolarHBondContact O-N 3.42Å; I78-N82 PolarHBondContact O-ND2 3.34Å |
| 79 | T | 98.2 | Very high | 94.1 | Very high | 80 Ų | 80 | 97.5 Ų | 97.5 | 49% | 0.491 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 176.2 | -58.7 | 0 | 0 | 0 | 0 | 111.6 | T75 S76 Y77 N82 C83 | T75-T79 PolarHBondContact O-N 2.76Å; T75-T79 PolarHBondContact O-OG1 3.37Å; S76-T79 PolarHBondContact O-N 2.92Å; Y77-T79 VanDerWaalsContact C-N 3.32Å; Y77-T79 PolarHBondContact O-N 2.95Å; T79-N82 PolarHBondContact O-N 2.93Å; T79-C83 PolarHBondContact O-N 2.68Å; T79-C83 PolarHBondContact O-SG 2.91Å; T79-C83 VanDerWaalsContact O-SG 3.38Å |
| 80 | Y | 97.5 | Very high | 93.9 | Very high | 130 Ų | 130 | 97.9 Ų | 97.9 | 51% | 0.51 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.2 | -48.2 | 177.9 | 171.6 | -104.8 | 0 | 0 | 0 | 112.5 | S76 Y77 I78 N82 C83 L84 | S76-Y80 WeakPolarHBondContact O-CB 3.46Å; S76-Y80 PolarHBondContact O-N 3.29Å; Y77-Y80 HydrophobicContact CD2-CD1 4Å; Y77-Y80 AromaticContact CE2-CD1 4Å; Y77-Y80 HydrophobicContact CE2-CD1 4Å; Y77-Y80 HydrophobicContact CE2-CE1 4.45Å; Y77-Y80 WeakPolarHBondContact O-CB 3.39Å; Y77-Y80 PolarHBondContact O-N 3.15Å; I78-Y80 VanDerWaalsContact C-N 3.34Å; I78-Y80 PolarHBondContact O-N 3.38Å; Y80-N82 VanDerWaalsContact C-N 3.31Å; Y80-N82 PolarHBondContact O-N 2.88Å; Y80-C83 WeakPolarHBondContact O-CB 3.46Å; Y80-C83 PolarHBondContact O-N 2.65Å; Y80-C83 VanDerWaalsContact O-N 3.14Å; Y80-L84 HydrophobicContact CD1-CD1 4.03Å; Y80-L84 HydrophobicContact CE1-CD1 3.37Å; Y80-L84 HydrophobicContact CE1-CG 4.16Å; Y80-L84 HydrophobicContact CE2-CD1 4.19Å; Y80-L84 HydrophobicContact CE2-CD2 4.36Å; Y80-L84 HydrophobicContact CE2-CG 4.16Å; Y80-L84 VanDerWaalsContact CZ-CD1 3.46Å; Y80-L84 PolarHBondContact O-N 3.29Å |
| 81 | L | 97.4 | Very high | 93.7 | Very high | 67 Ų | 67 | 102.6 Ų | 102.6 | 35% | 0.351 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 177.5 | -67.4 | 176.8 | 0 | 0 | 0 | 111.7 | Y77 I78 L84 L85 | Y77-L81 HydrophobicContact CD1-CD1 4.15Å; Y77-L81 HydrophobicContact CD2-CG 4.28Å; Y77-L81 HydrophobicContact CE1-CD1 3.82Å; Y77-L81 HydrophobicContact CE1-CG 4.42Å; Y77-L81 HydrophobicContact CE2-CD1 4.29Å; Y77-L81 HydrophobicContact CE2-CD2 3.93Å; Y77-L81 HydrophobicContact CE2-CG 3.99Å; Y77-L81 WeakPolarHBondContact O-CG 3.06Å; Y77-L81 PolarHBondContact O-N 3.15Å; I78-L81 PolarHBondContact O-N 3.47Å; L81-L84 PolarHBondContact O-N 2.98Å; L81-L85 WeakPolarHBondContact O-CG 3.4Å; L81-L85 PolarHBondContact O-N 3.48Å |
| 82 | N | 97.6 | Very high | 93.4 | Very high | 83 Ų | 83 | 103.4 Ų | 103.4 | 44% | 0.444 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.8 | -39.6 | 174.3 | -76.8 | -48.1 | 0 | 0 | 0 | 112.4 | I78 T79 Y80 L85 N86 | I78-N82 PolarHBondContact O-N 3.42Å; I78-N82 PolarHBondContact O-ND2 3.34Å; T79-N82 PolarHBondContact O-N 2.93Å; Y80-N82 VanDerWaalsContact C-N 3.31Å; Y80-N82 PolarHBondContact O-N 2.88Å; N82-L85 PolarHBondContact O-N 3.44Å; N82-N86 PolarHBondContact O-N 3.11Å; N82-N86 PolarHBondContact O-ND2 3.25Å |
| 83 | C | 96.6 | Very high | 93.1 | Very high | 80 Ų | 80 | 98.8 Ų | 98.8 | 54% | 0.541 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 175.8 | -70.3 | 0 | 0 | 0 | 0 | 111.5 | T79 Y80 L85 N86 Y87 | T79-C83 PolarHBondContact O-N 2.68Å; T79-C83 PolarHBondContact O-SG 2.91Å; T79-C83 VanDerWaalsContact O-SG 3.38Å; Y80-C83 WeakPolarHBondContact O-CB 3.46Å; Y80-C83 PolarHBondContact O-N 2.65Å; Y80-C83 VanDerWaalsContact O-N 3.14Å; C83-L85 PolarHBondContact O-N 2.87Å; C83-N86 PolarHBondContact O-N 3.27Å; C83-Y87 PolarHBondContact O-N 3.13Å |
| 84 | L | 96.4 | Very high | 92.8 | Very high | 78 Ų | 78 | 101.8 Ų | 101.8 | 41% | 0.408 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.5 | -48.1 | 176 | -73.9 | 178.1 | 0 | 0 | 0 | 111.9 | Y80 L81 N86 Y87 | Y80-L84 HydrophobicContact CD1-CD1 4.03Å; Y80-L84 HydrophobicContact CE1-CD1 3.37Å; Y80-L84 HydrophobicContact CE1-CG 4.16Å; Y80-L84 HydrophobicContact CE2-CD1 4.19Å; Y80-L84 HydrophobicContact CE2-CD2 4.36Å; Y80-L84 HydrophobicContact CE2-CG 4.16Å; Y80-L84 VanDerWaalsContact CZ-CD1 3.46Å; Y80-L84 PolarHBondContact O-N 3.29Å; L81-L84 PolarHBondContact O-N 2.98Å; L84-N86 PolarHBondContact O-N 2.84Å; L84-N86 VanDerWaalsContact O-N 3.16Å; L84-Y87 WeakPolarHBondContact O-CB 3.47Å; L84-Y87 PolarHBondContact O-N 3.35Å |
| 85 | L | 95.7 | Very high | 92.4 | Very high | 115 Ų | 115 | 107.8 Ų | 107.8 | 60% | 0.602 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64 | -20.2 | 179.8 | -72.6 | 174.9 | 0 | 0 | 0 | 114.4 | L81 N82 C83 | L81-L85 WeakPolarHBondContact O-CG 3.4Å; L81-L85 PolarHBondContact O-N 3.48Å; N82-L85 PolarHBondContact O-N 3.44Å; C83-L85 PolarHBondContact O-N 2.87Å |
| 86 | N | 94.6 | Very high | 92 | Very high | 91 Ų | 91 | 109 Ų | 109 | 49% | 0.487 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -98.8 | -10.2 | 176.4 | -67.2 | -53 | 0 | 0 | 0 | 113.1 | N82 C83 L84 K89 | N82-N86 PolarHBondContact O-N 3.11Å; N82-N86 PolarHBondContact O-ND2 3.25Å; C83-N86 PolarHBondContact O-N 3.27Å; L84-N86 PolarHBondContact O-N 2.84Å; L84-N86 VanDerWaalsContact O-N 3.16Å; N86-K89 PolarHBondContact OD1-NZ 3.01Å |
| 87 | Y | 87.7 | Confident | 91.5 | Very high | 196 Ų | 196 | 111.5 Ų | 111.5 | 77% | 0.769 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -75.4 | -28.7 | 173.3 | -173.7 | -93.5 | 0 | 0 | 0 | 111.7 | C83 L84 K89 | C83-Y87 PolarHBondContact O-N 3.13Å; L84-Y87 WeakPolarHBondContact O-CB 3.47Å; L84-Y87 PolarHBondContact O-N 3.35Å; Y87-K89 VanDerWaalsContact C-N 3.29Å; Y87-K89 PolarHBondContact O-N 2.99Å |
| 88 | D | 74.5 | Confident | 90.9 | Very high | 140 Ų | 140 | 114.4 Ų | 114.4 | 75% | 0.749 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 4.7 | 179.5 | -67.6 | -21.1 | 0 | 0 | 0 | 114.3 | ||
| 89 | K | 56.4 | Low | 90.2 | Very high | 212 Ų | 212 | 115.6 Ų | 115.6 | 92% | 0.922 | 57% | 0.57 | S | S | * | * | trans | -105.2 | 0 | 176 | -68.4 | -178.9 | -171.2 | 146.6 | 0 | 111.1 | N86 Y87 | N86-K89 PolarHBondContact OD1-NZ 3.01Å; Y87-K89 VanDerWaalsContact C-N 3.29Å; Y87-K89 PolarHBondContact O-N 2.99Å |
Retrieved 89 of 89 residues in 115.2 ms
(Link to these results)