| 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 | 63.5 | Low | 85.8 | Confident | 115 Ų | 115 | 111.4 Ų | 111.4 | 57% | 0.567 | 55% | 0.547 | S | S | * | . | 0 | 129.5 | 0 | -76.5 | -162 | -161.6 | 0 | 0 | 106.2 | L3 R14 L15 I18 | M1-L3 HydrophobicContact CB-CD2 3.99Å; M1-L3 PolarHBondContact O-N 2.63Å; M1-R14 HydrophobicContact SD-CG 4Å; M1-R14 VanDerWaalsContact SD-CZ 3.57Å; M1-L15 HydrophobicContact CE-CD2 4.41Å; M1-I18 HydrophobicContact CE-CB 4.29Å; M1-I18 HydrophobicContact CE-CD1 3.26Å; M1-I18 HydrophobicContact CE-CG1 4.33Å; M1-I18 HydrophobicContact CE-CG2 4.24Å; M1-I18 HydrophobicContact SD-CD1 4.22Å | |||
| 2 | D | 78.4 | Confident | 86.3 | Confident | 133 Ų | 133 | 110.6 Ų | 110.6 | 71% | 0.711 | 54% | 0.541 | S | S | * | . | trans | -63.6 | 123.9 | 164.6 | -81.1 | -38.1 | 0 | 0 | 0 | 108.8 | R14 | D2-R14 PolarHBondContact O-NH1 3.34Å; D2-R14 VanDerWaalsContact O-NH1 3.15Å | ||
| 3 | L | 82.9 | Confident | 86.7 | Confident | 80 Ų | 80 | 108.1 Ų | 108.1 | 42% | 0.419 | 53% | 0.532 | S | S | . | . | trans | -112.8 | 3 | -179.6 | -58.2 | -179.5 | 0 | 0 | 0 | 111.6 | M1 N5 Y6 V11 | M1-L3 HydrophobicContact CB-CD2 3.99Å; M1-L3 PolarHBondContact O-N 2.63Å; L3-N5 PolarHBondContact O-N 2.96Å; L3-Y6 PolarHBondContact O-N 3.19Å; L3-V11 HydrophobicContact CB-CG2 4.38Å; L3-V11 HydrophobicContact CD1-CG1 4.1Å; L3-V11 HydrophobicContact CD2-CB 4.39Å; L3-V11 HydrophobicContact CD2-CG1 3.8Å; L3-V11 HydrophobicContact CD2-CG2 3.87Å; L3-V11 HydrophobicContact CG-CG2 4.49Å | ||
| 4 | D | 82.5 | Confident | 86.9 | Confident | 129 Ų | 129 | 105.6 Ų | 105.6 | 69% | 0.69 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | 133.8 | -179.7 | -69 | -21.9 | 0 | 0 | 0 | 110.8 | Y6 | D4-Y6 WeakPolarHBondContact O-CD2 3.35Å; D4-Y6 PolarHBondContact O-N 3.32Å |
| 5 | N | 87.4 | Confident | 87.2 | Confident | 171 Ų | 171 | 103.6 Ų | 103.6 | 91% | 0.914 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 9.5 | -173.9 | -57.8 | -64.9 | 0 | 0 | 0 | 116.8 | L3 | L3-N5 PolarHBondContact O-N 2.96Š|
| 6 | Y | 87.1 | Confident | 87.5 | Confident | 117 Ų | 117 | 101 Ų | 101 | 46% | 0.459 | 50% | 0.501 | S | S | . | . | trans | -88.7 | 140.2 | 171.8 | -72.3 | -79 | 0 | 0 | 0 | 111.5 | L3 D4 D10 | L3-Y6 PolarHBondContact O-N 3.19Å; D4-Y6 WeakPolarHBondContact O-CD2 3.35Å; D4-Y6 PolarHBondContact O-N 3.32Å; Y6-D10 HydrophobicContact CD1-CB 3.62Å; Y6-D10 HydrophobicContact CG-CB 4.34Å | ||
| 7 | T | 92.7 | Very high | 87.5 | Confident | 80 Ų | 80 | 106.4 Ų | 106.4 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | trans | -74.1 | 161.3 | 169.3 | 71.4 | 0 | 0 | 0 | 0 | 110.2 | Q9 D10 V11 | T7-Q9 PolarHBondContact O-N 3.18Å; T7-Q9 VanDerWaalsContact O-N 3.1Å; T7-D10 WeakPolarHBondContact CB-OD2 3.49Å; T7-D10 PolarHBondContact N-OD2 3.45Å; T7-D10 PolarHBondContact O-N 3.1Å; T7-D10 PolarHBondContact OG1-N 3.07Å; T7-D10 PolarHBondContact OG1-OD2 3.04Å; T7-V11 WeakPolarHBondContact O-CG2 3.44Å; T7-V11 PolarHBondContact O-N 3.08Å; T7-V11 VanDerWaalsContact O-N 3.07Å | ||
| 8 | R | 91.8 | Very high | 87.7 | Confident | 208 Ų | 208 | 105.4 Ų | 105.4 | 79% | 0.785 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -49.6 | -39.4 | 174.4 | -168.9 | -169.3 | 91.1 | 106.8 | 2.3 | 112.2 | H12 | R8-H12 WeakPolarHBondContact O-CB 3.46Å; R8-H12 PolarHBondContact O-N 3.31Å; R8-H12 VanDerWaalsContact O-N 3.08Å |
| 9 | Q | 93 | Very high | 88 | Confident | 91 Ų | 91 | 107.1 Ų | 107.1 | 43% | 0.425 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.7 | -41.8 | -178.4 | -167.2 | 58.8 | 39 | 0 | 0 | 111.4 | T7 V11 H12 D13 | T7-Q9 PolarHBondContact O-N 3.18Å; T7-Q9 VanDerWaalsContact O-N 3.1Å; Q9-V11 VanDerWaalsContact C-N 3.33Å; Q9-V11 PolarHBondContact O-N 2.88Å; Q9-H12 WeakPolarHBondContact O-CB 3.28Å; Q9-H12 PolarHBondContact O-N 3.15Å; Q9-D13 PolarHBondContact NE2-OD1 3.44Å; Q9-D13 PolarHBondContact NE2-OD2 2.97Å; Q9-D13 WeakPolarHBondContact O-CB 3.2Å; Q9-D13 VanDerWaalsContact O-CG 3.31Å; Q9-D13 PolarHBondContact O-N 2.99Å |
| 10 | D | 91.5 | Very high | 88.2 | Confident | 72 Ų | 72 | 103.4 Ų | 103.4 | 39% | 0.385 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.9 | -41.1 | 178.2 | -56.1 | -48.3 | 0 | 0 | 0 | 111.9 | Y6 T7 H12 D13 R14 | Y6-D10 HydrophobicContact CD1-CB 3.62Å; Y6-D10 HydrophobicContact CG-CB 4.34Å; T7-D10 WeakPolarHBondContact CB-OD2 3.49Å; T7-D10 PolarHBondContact N-OD2 3.45Å; T7-D10 PolarHBondContact O-N 3.1Å; T7-D10 PolarHBondContact OG1-N 3.07Å; T7-D10 PolarHBondContact OG1-OD2 3.04Å; D10-H12 VanDerWaalsContact C-N 3.35Å; D10-D13 PolarHBondContact O-N 2.95Å; D10-R14 WeakPolarHBondContact O-CB 3.49Å; D10-R14 PolarHBondContact O-N 3.48Å |
| 11 | V | 92.7 | Very high | 88.5 | Confident | 29 Ų | 29 | 104 Ų | 104 | 18% | 0.176 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -62 | -46.3 | 175.7 | 178.3 | 0 | 0 | 0 | 0 | 110.3 | L3 T7 Q9 R14 L15 | L3-V11 HydrophobicContact CB-CG2 4.38Å; L3-V11 HydrophobicContact CD1-CG1 4.1Å; L3-V11 HydrophobicContact CD2-CB 4.39Å; L3-V11 HydrophobicContact CD2-CG1 3.8Å; L3-V11 HydrophobicContact CD2-CG2 3.87Å; L3-V11 HydrophobicContact CG-CG2 4.49Å; T7-V11 WeakPolarHBondContact O-CG2 3.44Å; T7-V11 PolarHBondContact O-N 3.08Å; T7-V11 VanDerWaalsContact O-N 3.07Å; Q9-V11 VanDerWaalsContact C-N 3.33Å; Q9-V11 PolarHBondContact O-N 2.88Å; V11-R14 PolarHBondContact O-N 3.44Å; V11-L15 HydrophobicContact CG1-CD1 3.89Å; V11-L15 HydrophobicContact CG1-CG 4.48Å; V11-L15 WeakPolarHBondContact O-CB 3.47Å; V11-L15 VanDerWaalsContact O-CG 3.28Å; V11-L15 WeakPolarHBondContact O-CG 3.41Å; V11-L15 PolarHBondContact O-N 3.5Å |
| 12 | H | 92.4 | Very high | 89.9 | Confident | 102 Ų | 102 | 102.3 Ų | 102.3 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.7 | -49.6 | 177.9 | 176.4 | -86.3 | 0 | 0 | 0 | 111.9 | R8 Q9 D10 R14 L15 S16 | R8-H12 WeakPolarHBondContact O-CB 3.46Å; R8-H12 PolarHBondContact O-N 3.31Å; R8-H12 VanDerWaalsContact O-N 3.08Å; Q9-H12 WeakPolarHBondContact O-CB 3.28Å; Q9-H12 PolarHBondContact O-N 3.15Å; D10-H12 VanDerWaalsContact C-N 3.35Å; H12-R14 VanDerWaalsContact C-N 3.33Å; H12-R14 PolarHBondContact O-N 3.5Å; H12-L15 PolarHBondContact O-N 2.85Å; H12-S16 WeakPolarHBondContact O-CB 3.42Å; H12-S16 PolarHBondContact O-N 3.23Å |
| 13 | D | 91.6 | Very high | 90.6 | Very high | 78 Ų | 78 | 104.9 Ų | 104.9 | 42% | 0.417 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70 | -34.4 | -175.1 | -66.7 | -15.1 | 0 | 0 | 0 | 111.4 | Q9 D10 S16 R17 | Q9-D13 PolarHBondContact NE2-OD1 3.44Å; Q9-D13 PolarHBondContact NE2-OD2 2.97Å; Q9-D13 WeakPolarHBondContact O-CB 3.2Å; Q9-D13 VanDerWaalsContact O-CG 3.31Å; Q9-D13 PolarHBondContact O-N 2.99Å; D10-D13 PolarHBondContact O-N 2.95Å; D13-S16 PolarHBondContact O-N 3.35Å; D13-R17 VanDerWaalsContact O-CB 3.28Å; D13-R17 WeakPolarHBondContact O-CB 3.28Å; D13-R17 PolarHBondContact O-N 3.26Å |
| 14 | R | 89.3 | Confident | 91.2 | Very high | 74 Ų | 74 | 109.6 Ų | 109.6 | 28% | 0.279 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.2 | -44.2 | 172.5 | -173.4 | 173.2 | -178.4 | -153.6 | 3.1 | 111.9 | M1 D2 D10 V11 H12 R17 I18 | M1-R14 HydrophobicContact SD-CG 4Å; M1-R14 VanDerWaalsContact SD-CZ 3.57Å; D2-R14 PolarHBondContact O-NH1 3.34Å; D2-R14 VanDerWaalsContact O-NH1 3.15Å; D10-R14 WeakPolarHBondContact O-CB 3.49Å; D10-R14 PolarHBondContact O-N 3.48Å; V11-R14 PolarHBondContact O-N 3.44Å; H12-R14 VanDerWaalsContact C-N 3.33Å; H12-R14 PolarHBondContact O-N 3.5Å; R14-R17 PolarHBondContact O-N 2.82Å; R14-I18 HydrophobicContact CG-CD1 3.94Å; R14-I18 WeakPolarHBondContact O-CG1 3.41Å; R14-I18 PolarHBondContact O-N 2.92Å; R14-I18 VanDerWaalsContact O-N 3.11Å |
| 15 | L | 91.2 | Very high | 91.7 | Very high | 75 Ų | 75 | 107.2 Ų | 107.2 | 39% | 0.393 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -47.5 | 175 | -75.3 | 168.7 | 0 | 0 | 0 | 111.1 | M1 V11 H12 R17 I18 L19 | M1-L15 HydrophobicContact CE-CD2 4.41Å; V11-L15 HydrophobicContact CG1-CD1 3.89Å; V11-L15 HydrophobicContact CG1-CG 4.48Å; V11-L15 WeakPolarHBondContact O-CB 3.47Å; V11-L15 VanDerWaalsContact O-CG 3.28Å; V11-L15 WeakPolarHBondContact O-CG 3.41Å; V11-L15 PolarHBondContact O-N 3.5Å; H12-L15 PolarHBondContact O-N 2.85Å; L15-R17 PolarHBondContact O-N 3.2Å; L15-I18 PolarHBondContact O-N 3.27Å; L15-L19 HydrophobicContact CD2-CD1 4.24Å; L15-L19 PolarHBondContact O-N 3.11Å |
| 16 | S | 91.5 | Very high | 92.1 | Very high | 62 Ų | 62 | 103.4 Ų | 103.4 | 43% | 0.434 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.7 | -30.9 | 177.7 | -173.6 | 0 | 0 | 0 | 0 | 112.4 | H12 D13 G20 | H12-S16 WeakPolarHBondContact O-CB 3.42Å; H12-S16 PolarHBondContact O-N 3.23Å; D13-S16 PolarHBondContact O-N 3.35Å; S16-G20 WeakPolarHBondContact O-CA 3.08Å; S16-G20 PolarHBondContact O-N 3.02Å |
| 17 | R | 88.6 | Confident | 92.5 | Very high | 193 Ų | 193 | 102 Ų | 102 | 73% | 0.728 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -75 | -36.4 | 176.7 | -175.4 | 173 | 64.3 | 100.7 | -2.9 | 113 | D13 R14 L15 | D13-R17 VanDerWaalsContact O-CB 3.28Å; D13-R17 WeakPolarHBondContact O-CB 3.28Å; D13-R17 PolarHBondContact O-N 3.26Å; R14-R17 PolarHBondContact O-N 2.82Å; L15-R17 PolarHBondContact O-N 3.2Å |
| 18 | I | 90.6 | Very high | 92.6 | Very high | 88 Ų | 88 | 104.1 Ų | 104.1 | 45% | 0.451 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -87.2 | -40.4 | -174.5 | -68.1 | 170.2 | 0 | 0 | 0 | 111.3 | M1 R14 L15 | M1-I18 HydrophobicContact CE-CB 4.29Å; M1-I18 HydrophobicContact CE-CD1 3.26Å; M1-I18 HydrophobicContact CE-CG1 4.33Å; M1-I18 HydrophobicContact CE-CG2 4.24Å; M1-I18 HydrophobicContact SD-CD1 4.22Å; R14-I18 HydrophobicContact CG-CD1 3.94Å; R14-I18 WeakPolarHBondContact O-CG1 3.41Å; R14-I18 PolarHBondContact O-N 2.92Å; R14-I18 VanDerWaalsContact O-N 3.11Å; L15-I18 PolarHBondContact O-N 3.27Å |
| 19 | L | 93 | Very high | 92.7 | Very high | 137 Ų | 137 | 97.8 Ų | 97.8 | 72% | 0.717 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.8 | -21.1 | -173.7 | -60.6 | 174.9 | 0 | 0 | 0 | 113.2 | L15 | L15-L19 HydrophobicContact CD2-CD1 4.24Å; L15-L19 PolarHBondContact O-N 3.11Å |
| 20 | G | 93.1 | Very high | 92.7 | Very high | 33 Ų | 33 | 100.6 Ų | 100.6 | 34% | 0.34 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -72.6 | 148.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S16 | S16-G20 WeakPolarHBondContact O-CA 3.08Å; S16-G20 PolarHBondContact O-N 3.02Å |
| 21 | K | 94.2 | Very high | 92.6 | Very high | 117 Ų | 117 | 99.4 Ų | 99.4 | 51% | 0.509 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 139.5 | 172.8 | -65.5 | -174 | -174.6 | -171.6 | 0 | 109.7 | I25 L26 E29 | K21-I25 HydrophobicContact CB-CG2 4.44Å; K21-I25 HydrophobicContact CD-CG2 4.12Å; K21-L26 HydrophobicContact CB-CD1 4.47Å; K21-L26 HydrophobicContact CB-CD2 3.99Å; K21-L26 HydrophobicContact CB-CG 3.93Å; K21-L26 HydrophobicContact CD-CD2 3.89Å; K21-E29 IonicContact NZ-OE1 2.75Å; K21-E29 PolarHBondContact NZ-OE1 2.71Å; K21-E29 IonicContact NZ-OE2 2.65Å; K21-E29 PolarHBondContact NZ-OE2 3.12Å |
| 22 | T | 92.9 | Very high | 92.5 | Very high | 80 Ų | 80 | 101.3 Ų | 101.3 | 49% | 0.491 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -65.9 | 149.9 | 173 | 62.4 | 0 | 0 | 0 | 0 | 110.2 | K24 I25 L26 | T22-K24 PolarHBondContact O-N 3.38Å; T22-K24 VanDerWaalsContact O-N 3.09Å; T22-I25 PolarHBondContact O-N 2.87Å; T22-I25 WeakPolarHBondContact OG1-CD1 3.47Å; T22-I25 WeakPolarHBondContact OG1-CG1 3.39Å; T22-I25 PolarHBondContact OG1-N 3.42Å; T22-L26 PolarHBondContact O-N 3.06Å |
| 23 | K | 92.9 | Very high | 92.2 | Very high | 187 Ų | 187 | 101 Ų | 101 | 81% | 0.813 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -53.1 | -33.2 | 175.6 | -66.2 | -175.3 | 178.5 | -178.8 | 0 | 112.5 | L26 E27 | K23-L26 PolarHBondContact O-N 3.45Å; K23-E27 WeakPolarHBondContact O-CB 3.35Å; K23-E27 PolarHBondContact O-N 2.96Å |
| 24 | K | 94.7 | Very high | 91.8 | Very high | 179 Ų | 179 | 100.2 Ų | 100.2 | 78% | 0.778 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.4 | -42.9 | 176.3 | -173 | 179.1 | 179 | -178.4 | 0 | 112.4 | T22 H28 | T22-K24 PolarHBondContact O-N 3.38Å; T22-K24 VanDerWaalsContact O-N 3.09Å; K24-H28 VanDerWaalsContact O-CB 3.32Å; K24-H28 WeakPolarHBondContact O-CB 3.28Å; K24-H28 PolarHBondContact O-N 3.42Å |
| 25 | I | 94.4 | Very high | 91.3 | Very high | 79 Ų | 79 | 104.4 Ų | 104.4 | 41% | 0.405 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.2 | -44.7 | 176.9 | -67.3 | 167.9 | 0 | 0 | 0 | 109.9 | K21 T22 E27 H28 E29 | K21-I25 HydrophobicContact CB-CG2 4.44Å; K21-I25 HydrophobicContact CD-CG2 4.12Å; T22-I25 PolarHBondContact O-N 2.87Å; T22-I25 WeakPolarHBondContact OG1-CD1 3.47Å; T22-I25 WeakPolarHBondContact OG1-CG1 3.39Å; T22-I25 PolarHBondContact OG1-N 3.42Å; I25-E27 VanDerWaalsContact C-N 3.33Å; I25-E27 PolarHBondContact O-N 3.09Å; I25-H28 PolarHBondContact O-N 2.93Å; I25-E29 HydrophobicContact CG2-CG 4.34Å; I25-E29 WeakPolarHBondContact O-CG 3.48Å; I25-E29 PolarHBondContact O-N 2.75Å |
| 26 | L | 95.2 | Very high | 90.5 | Very high | 90 Ų | 90 | 104.4 Ų | 104.4 | 47% | 0.471 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -59.6 | -44.2 | 178.1 | -69 | 171.2 | 0 | 0 | 0 | 111.9 | K21 T22 K23 E29 R30 | K21-L26 HydrophobicContact CB-CD1 4.47Å; K21-L26 HydrophobicContact CB-CD2 3.99Å; K21-L26 HydrophobicContact CB-CG 3.93Å; K21-L26 HydrophobicContact CD-CD2 3.89Å; T22-L26 PolarHBondContact O-N 3.06Å; K23-L26 PolarHBondContact O-N 3.45Å; L26-E29 PolarHBondContact O-N 2.68Å; L26-R30 WeakPolarHBondContact O-CB 3.38Å; L26-R30 PolarHBondContact O-N 2.92Å |
| 27 | E | 95.8 | Very high | 90 | Very high | 88 Ų | 88 | 108.1 Ų | 108.1 | 41% | 0.411 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.3 | -39.4 | 176.7 | -177 | 57.2 | -163 | 0 | 0 | 111.9 | K23 I25 R30 V31 | K23-E27 WeakPolarHBondContact O-CB 3.35Å; K23-E27 PolarHBondContact O-N 2.96Å; I25-E27 VanDerWaalsContact C-N 3.33Å; I25-E27 PolarHBondContact O-N 3.09Å; E27-R30 PolarHBondContact O-N 3.36Å; E27-R30 IonicContact OE1-CZ 3.46Å; E27-R30 IonicContact OE1-NE 3.38Å; E27-R30 PolarHBondContact OE1-NE 3.36Å; E27-R30 IonicContact OE1-NH2 2.71Å; E27-R30 PolarHBondContact OE1-NH2 3.44Å; E27-R30 IonicContact OE2-CZ 3.68Å; E27-R30 IonicContact OE2-NE 2.87Å; E27-R30 PolarHBondContact OE2-NE 2.97Å; E27-R30 IonicContact OE2-NH2 3.63Å; E27-V31 HydrophobicContact CG-CG2 4.49Å; E27-V31 WeakPolarHBondContact O-CB 3.42Å; E27-V31 VanDerWaalsContact O-CG2 3.28Å; E27-V31 WeakPolarHBondContact O-CG2 3.41Å; E27-V31 PolarHBondContact O-N 2.85Å |
| 28 | H | 94.3 | Very high | 89.8 | Confident | 125 Ų | 125 | 102.3 Ų | 102.3 | 58% | 0.579 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62 | -45 | 175 | 179.2 | -84 | 0 | 0 | 0 | 112 | K24 I25 V31 T32 | K24-H28 VanDerWaalsContact O-CB 3.32Å; K24-H28 WeakPolarHBondContact O-CB 3.28Å; K24-H28 PolarHBondContact O-N 3.42Å; I25-H28 PolarHBondContact O-N 2.93Å; H28-V31 PolarHBondContact O-N 3.2Å; H28-T32 PolarHBondContact CE1-OG1 3.49Å; H28-T32 VanDerWaalsContact CE1-OG1 3.23Å; H28-T32 PolarHBondContact ND1-OG1 3.47Å; H28-T32 WeakPolarHBondContact O-CB 3.38Å; H28-T32 PolarHBondContact O-N 3.08Å; H28-T32 PolarHBondContact O-OG1 2.93Å |
| 29 | E | 93.6 | Very high | 89.5 | Confident | 74 Ų | 74 | 104 Ų | 104 | 35% | 0.346 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.2 | -48.8 | 175.4 | -73.9 | 175.2 | -179.5 | 0 | 0 | 110.4 | K21 I25 L26 V31 T32 T33 | K21-E29 IonicContact NZ-OE1 2.75Å; K21-E29 PolarHBondContact NZ-OE1 2.71Å; K21-E29 IonicContact NZ-OE2 2.65Å; K21-E29 PolarHBondContact NZ-OE2 3.12Å; I25-E29 HydrophobicContact CG2-CG 4.34Å; I25-E29 WeakPolarHBondContact O-CG 3.48Å; I25-E29 PolarHBondContact O-N 2.75Å; L26-E29 PolarHBondContact O-N 2.68Å; E29-V31 VanDerWaalsContact C-N 3.34Å; E29-V31 PolarHBondContact O-N 2.95Å; E29-T32 PolarHBondContact O-N 3.4Å; E29-T32 VanDerWaalsContact O-N 3.13Å; E29-T33 PolarHBondContact O-N 3.23Å; E29-T33 PolarHBondContact O-OG1 2.9Å; E29-T33 VanDerWaalsContact O-OG1 3.08Å |
| 30 | R | 92.5 | Very high | 89.3 | Confident | 151 Ų | 151 | 100.4 Ų | 100.4 | 57% | 0.57 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -55.4 | -47.7 | 177.1 | -167.5 | -171.4 | 74.7 | 81.5 | 1.6 | 112.2 | L26 E27 A34 | L26-R30 WeakPolarHBondContact O-CB 3.38Å; L26-R30 PolarHBondContact O-N 2.92Å; E27-R30 PolarHBondContact O-N 3.36Å; E27-R30 IonicContact OE1-CZ 3.46Å; E27-R30 IonicContact OE1-NE 3.38Å; E27-R30 PolarHBondContact OE1-NE 3.36Å; E27-R30 IonicContact OE1-NH2 2.71Å; E27-R30 PolarHBondContact OE1-NH2 3.44Å; E27-R30 IonicContact OE2-CZ 3.68Å; E27-R30 IonicContact OE2-NE 2.87Å; E27-R30 PolarHBondContact OE2-NE 2.97Å; E27-R30 IonicContact OE2-NH2 3.63Å; R30-A34 WeakPolarHBondContact O-CB 3.32Å; R30-A34 PolarHBondContact O-N 3.38Å; R30-A34 VanDerWaalsContact O-N 3.12Å |
| 31 | V | 90.9 | Very high | 89.3 | Confident | 47 Ų | 47 | 104.3 Ų | 104.3 | 29% | 0.285 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.3 | -36.7 | 179 | 173 | 0 | 0 | 0 | 0 | 111.5 | E27 H28 E29 A34 K35 | E27-V31 HydrophobicContact CG-CG2 4.49Å; E27-V31 WeakPolarHBondContact O-CB 3.42Å; E27-V31 VanDerWaalsContact O-CG2 3.28Å; E27-V31 WeakPolarHBondContact O-CG2 3.41Å; E27-V31 PolarHBondContact O-N 2.85Å; H28-V31 PolarHBondContact O-N 3.2Å; E29-V31 VanDerWaalsContact C-N 3.34Å; E29-V31 PolarHBondContact O-N 2.95Å; V31-A34 PolarHBondContact O-N 2.69Å; V31-K35 HydrophobicContact CG1-CD 3.96Å; V31-K35 HydrophobicContact CG1-CG 4.37Å; V31-K35 WeakPolarHBondContact O-CB 3.43Å; V31-K35 VanDerWaalsContact O-CG 3.27Å; V31-K35 WeakPolarHBondContact O-CG 3.27Å; V31-K35 PolarHBondContact O-N 3.44Å |
| 32 | T | 90.5 | Very high | 89.3 | Confident | 68 Ų | 68 | 102.6 Ų | 102.6 | 42% | 0.417 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.7 | -45.1 | -179.7 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | H28 E29 A34 K35 A36 | H28-T32 PolarHBondContact CE1-OG1 3.49Å; H28-T32 VanDerWaalsContact CE1-OG1 3.23Å; H28-T32 PolarHBondContact ND1-OG1 3.47Å; H28-T32 WeakPolarHBondContact O-CB 3.38Å; H28-T32 PolarHBondContact O-N 3.08Å; H28-T32 PolarHBondContact O-OG1 2.93Å; E29-T32 PolarHBondContact O-N 3.4Å; E29-T32 VanDerWaalsContact O-N 3.13Å; T32-A34 VanDerWaalsContact C-N 3.33Å; T32-A34 PolarHBondContact O-N 3.23Å; T32-K35 PolarHBondContact O-N 3.13Å; T32-A36 PolarHBondContact O-N 3.19Å |
| 33 | T | 86.6 | Confident | 89.4 | Confident | 96 Ų | 96 | 99.8 Ų | 99.8 | 59% | 0.589 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.1 | -44 | 175.6 | -54.7 | 0 | 0 | 0 | 0 | 110.8 | E29 K35 A36 | E29-T33 PolarHBondContact O-N 3.23Å; E29-T33 PolarHBondContact O-OG1 2.9Å; E29-T33 VanDerWaalsContact O-OG1 3.08Å; T33-K35 VanDerWaalsContact C-N 3.32Å; T33-K35 PolarHBondContact O-N 2.84Å; T33-A36 WeakPolarHBondContact O-CB 3.32Å; T33-A36 PolarHBondContact O-N 2.95Å |
| 34 | A | 83.2 | Confident | 89.4 | Confident | 61 Ų | 61 | 99.7 Ų | 99.7 | 50% | 0.504 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.5 | -35.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.1 | R30 V31 T32 | R30-A34 WeakPolarHBondContact O-CB 3.32Å; R30-A34 PolarHBondContact O-N 3.38Å; R30-A34 VanDerWaalsContact O-N 3.12Å; V31-A34 PolarHBondContact O-N 2.69Å; T32-A34 VanDerWaalsContact C-N 3.33Å; T32-A34 PolarHBondContact O-N 3.23Å |
| 35 | K | 78.4 | Confident | 89.2 | Confident | 162 Ų | 162 | 96.7 Ų | 96.7 | 70% | 0.704 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -75.2 | -24 | 176.7 | -77.6 | 177.2 | 178.4 | -179.6 | 0 | 113.7 | V31 T32 T33 E37 | V31-K35 HydrophobicContact CG1-CD 3.96Å; V31-K35 HydrophobicContact CG1-CG 4.37Å; V31-K35 WeakPolarHBondContact O-CB 3.43Å; V31-K35 VanDerWaalsContact O-CG 3.27Å; V31-K35 WeakPolarHBondContact O-CG 3.27Å; V31-K35 PolarHBondContact O-N 3.44Å; T32-K35 PolarHBondContact O-N 3.13Å; T33-K35 VanDerWaalsContact C-N 3.32Å; T33-K35 PolarHBondContact O-N 2.84Å; K35-E37 PolarHBondContact O-N 3.02Å |
| 36 | A | 74.7 | Confident | 89.1 | Confident | 75 Ų | 75 | 97.6 Ų | 97.6 | 62% | 0.62 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64.3 | -29.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T32 T33 N38 | T32-A36 PolarHBondContact O-N 3.19Å; T33-A36 WeakPolarHBondContact O-CB 3.32Å; T33-A36 PolarHBondContact O-N 2.95Å; A36-N38 PolarHBondContact O-N 3.45Å; A36-N38 VanDerWaalsContact O-N 3.07Å |
| 37 | E | 80.9 | Confident | 88.8 | Confident | 141 Ų | 141 | 98.3 Ų | 98.3 | 66% | 0.659 | 52% | 0.523 | S | S | * | . | S | Bend | trans | -77.4 | 88.6 | 172.4 | -65.2 | -176.5 | 174.2 | 0 | 0 | 110.4 | K35 L39 | K35-E37 PolarHBondContact O-N 3.02Å; E37-L39 PolarHBondContact O-N 3.18Å |
| 38 | N | 84.2 | Confident | 88.7 | Confident | 70 Ų | 70 | 98 Ų | 98 | 37% | 0.374 | 52% | 0.518 | S | S | . | . | trans | -71.9 | 113.4 | 174.6 | -173.2 | -13.2 | 0 | 0 | 0 | 110.3 | A36 A40 Y41 | A36-N38 PolarHBondContact O-N 3.45Å; A36-N38 VanDerWaalsContact O-N 3.07Å; N38-A40 PolarHBondContact O-N 3.16Å; N38-A40 VanDerWaalsContact OD1-CB 3.26Å; N38-A40 WeakPolarHBondContact OD1-CB 3.43Å; N38-A40 PolarHBondContact OD1-N 3.23Å; N38-Y41 HydrophobicContact CB-CD1 4.16Å; N38-Y41 HydrophobicContact CB-CD2 3.69Å; N38-Y41 HydrophobicContact CB-CE1 4.02Å; N38-Y41 HydrophobicContact CB-CE2 3.54Å; N38-Y41 HydrophobicContact CB-CG 4Å; N38-Y41 WeakPolarHBondContact O-CB 3.45Å; N38-Y41 PolarHBondContact O-N 3.08Å | ||
| 39 | L | 83.9 | Confident | 88.7 | Confident | 125 Ų | 125 | 98.7 Ų | 98.7 | 65% | 0.654 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -12.6 | 179.2 | -59.6 | 177.1 | 0 | 0 | 0 | 114.4 | E37 Y41 R48 | E37-L39 PolarHBondContact O-N 3.18Å; L39-Y41 VanDerWaalsContact C-N 3.34Å; L39-R48 PolarHBondContact O-NH2 3.44Å; L39-R48 VanDerWaalsContact O-NH2 3.08Å |
| 40 | A | 89 | Confident | 88.9 | Confident | 60 Ų | 60 | 97.9 Ų | 97.9 | 50% | 0.496 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -9.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N38 F42 | N38-A40 PolarHBondContact O-N 3.16Å; N38-A40 VanDerWaalsContact OD1-CB 3.26Å; N38-A40 WeakPolarHBondContact OD1-CB 3.43Å; N38-A40 PolarHBondContact OD1-N 3.23Å; A40-F42 WeakPolarHBondContact O-CD2 3.31Å; A40-F42 WeakPolarHBondContact O-CE2 3.47Å |
| 41 | Y | 92.7 | Very high | 89 | Confident | 115 Ų | 115 | 94.9 Ų | 94.9 | 45% | 0.451 | 52% | 0.518 | S | S | . | . | trans | -75.5 | 146.1 | 175.3 | -63.7 | -19.5 | 0 | 0 | 0 | 111.4 | N38 L39 Y46 | N38-Y41 HydrophobicContact CB-CD1 4.16Å; N38-Y41 HydrophobicContact CB-CD2 3.69Å; N38-Y41 HydrophobicContact CB-CE1 4.02Å; N38-Y41 HydrophobicContact CB-CE2 3.54Å; N38-Y41 HydrophobicContact CB-CG 4Å; N38-Y41 WeakPolarHBondContact O-CB 3.45Å; N38-Y41 PolarHBondContact O-N 3.08Å; L39-Y41 VanDerWaalsContact C-N 3.34Å; Y41-Y46 HydrophobicContact CD2-CD1 4.48Å; Y41-Y46 AromaticContact CD2-CE1 3.65Å; Y41-Y46 HydrophobicContact CD2-CE1 3.65Å; Y41-Y46 AromaticContact CD2-CZ 3.71Å; Y41-Y46 HydrophobicContact CG-CE1 4.15Å | ||
| 42 | F | 95.1 | Very high | 89.3 | Confident | 82 Ų | 82 | 94.4 Ų | 94.4 | 36% | 0.36 | 52% | 0.516 | S | S | . | . | trans | -119 | 148 | 176.4 | -62.4 | -88 | 0 | 0 | 0 | 109.4 | A40 R48 I51 M54 | A40-F42 WeakPolarHBondContact O-CD2 3.31Å; A40-F42 WeakPolarHBondContact O-CE2 3.47Å; F42-R48 CarbonylContact C-O 3.56Å; F42-R48 VanDerWaalsContact CA-O 3.23Å; F42-R48 WeakPolarHBondContact CA-O 3.34Å; F42-R48 HydrophobicContact CD1-CB 3.67Å; F42-R48 HydrophobicContact CE1-CB 3.9Å; F42-I51 HydrophobicContact CE1-CB 4.31Å; F42-I51 HydrophobicContact CE1-CG1 4.37Å; F42-I51 HydrophobicContact CZ-CB 4.33Å; F42-I51 HydrophobicContact CZ-CD1 4.5Å; F42-I51 HydrophobicContact CZ-CG1 4.01Å; F42-M54 HydrophobicContact CE1-CG 4.31Å; F42-M54 HydrophobicContact CZ-CG 4.42Å | ||
| 43 | G | 93.5 | Very high | 89.4 | Confident | 21 Ų | 21 | 96 Ų | 96 | 22% | 0.216 | 52% | 0.518 | C | S | . | . | S | Bend | trans | 146.4 | -177.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S45 Y46 R48 Q49 | G43-S45 PolarHBondContact O-N 3.06Å; G43-Y46 PolarHBondContact O-N 3.07Å; G43-Y46 VanDerWaalsContact O-N 3.16Å; G43-R48 PolarHBondContact N-O 2.97Å; G43-Q49 PolarHBondContact N-O 3.43Å |
| 44 | E | 93.7 | Very high | 89.8 | Confident | 184 Ų | 184 | 94.7 Ų | 94.7 | 86% | 0.86 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -40.1 | -174.9 | -175.6 | 175.4 | -167.8 | 0 | 0 | 113.5 | Y46 | E44-Y46 VanDerWaalsContact C-N 3.27Å; E44-Y46 PolarHBondContact O-N 3.37Å |
| 45 | S | 91.1 | Very high | 90.3 | Very high | 116 Ų | 116 | 101 Ų | 101 | 81% | 0.811 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | 2.1 | 178.1 | -49.3 | 0 | 0 | 0 | 0 | 114 | G43 | G43-S45 PolarHBondContact O-N 3.06Š|
| 46 | Y | 90.6 | Very high | 91.1 | Very high | 98 Ų | 98 | 97.3 Ų | 97.3 | 38% | 0.384 | 53% | 0.533 | S | S | . | . | S | Bend | trans | -111.3 | 159.4 | -176 | -64.3 | -71.9 | 0 | 0 | 0 | 111 | Y41 G43 E44 R48 | Y41-Y46 HydrophobicContact CD2-CD1 4.48Å; Y41-Y46 AromaticContact CD2-CE1 3.65Å; Y41-Y46 HydrophobicContact CD2-CE1 3.65Å; Y41-Y46 AromaticContact CD2-CZ 3.71Å; Y41-Y46 HydrophobicContact CG-CE1 4.15Å; G43-Y46 PolarHBondContact O-N 3.07Å; G43-Y46 VanDerWaalsContact O-N 3.16Å; E44-Y46 VanDerWaalsContact C-N 3.27Å; E44-Y46 PolarHBondContact O-N 3.37Å; Y46-R48 PolarHBondContact O-N 3.26Å |
| 47 | P | 90.6 | Very high | 92.1 | Very high | 106 Ų | 106 | 98.7 Ų | 98.7 | 69% | 0.688 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -58.7 | -22.8 | -176.6 | -26.7 | 35.3 | 0 | 0 | 0 | 115 | ||
| 48 | R | 92.8 | Very high | 92.8 | Very high | 80 Ų | 80 | 97.7 Ų | 97.7 | 30% | 0.302 | 52% | 0.522 | S | S | . | . | trans | -126.4 | 130.3 | 176.6 | -69.6 | -176.7 | -76.8 | -116.3 | -5 | 109.3 | L39 F42 G43 Y46 E53 M54 | L39-R48 PolarHBondContact O-NH2 3.44Å; L39-R48 VanDerWaalsContact O-NH2 3.08Å; F42-R48 CarbonylContact C-O 3.56Å; F42-R48 VanDerWaalsContact CA-O 3.23Å; F42-R48 WeakPolarHBondContact CA-O 3.34Å; F42-R48 HydrophobicContact CD1-CB 3.67Å; F42-R48 HydrophobicContact CE1-CB 3.9Å; G43-R48 PolarHBondContact N-O 2.97Å; Y46-R48 PolarHBondContact O-N 3.26Å; R48-E53 VanDerWaalsContact CA-OE2 3.31Å; R48-E53 WeakPolarHBondContact CA-OE2 3.4Å; R48-E53 WeakPolarHBondContact CB-OE2 3.32Å; R48-E53 WeakPolarHBondContact CG-OE2 3.38Å; R48-M54 VanDerWaalsContact CD-SD 3.56Å; R48-M54 PolarHBondContact NH1-SD 3.11Å | ||
| 49 | Q | 95.2 | Very high | 93.3 | Very high | 140 Ų | 140 | 96.8 Ų | 96.8 | 65% | 0.654 | 52% | 0.52 | S | S | * | . | S | Bend | trans | -83.4 | -44 | -179.3 | -173.5 | -179.8 | -0.6 | 0 | 0 | 111 | G43 E53 | G43-Q49 PolarHBondContact N-O 3.43Å; Q49-E53 PolarHBondContact N-OE1 3.18Å; Q49-E53 VanDerWaalsContact N-OE1 3.11Å |
| 50 | C | 95.9 | Very high | 94 | Very high | 58 Ų | 58 | 93.1 Ų | 93.1 | 39% | 0.392 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -134 | 150.9 | -177.3 | -174.3 | 0 | 0 | 0 | 0 | 111.2 | C52 E53 | C50-C52 PolarHBondContact O-N 2.95Å; C50-C52 VanDerWaalsContact O-N 3.13Å; C50-E53 PolarHBondContact N-OE1 3.13Å; C50-E53 WeakPolarHBondContact O-CB 3.4Å; C50-E53 PolarHBondContact O-N 2.98Å |
| 51 | I | 96.4 | Very high | 94.3 | Very high | 88 Ų | 88 | 93.8 Ų | 93.8 | 45% | 0.451 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -64.4 | -18.2 | 179.2 | -159.5 | 169.8 | 0 | 0 | 0 | 113.2 | F42 E53 M54 Q57 | F42-I51 HydrophobicContact CE1-CB 4.31Å; F42-I51 HydrophobicContact CE1-CG1 4.37Å; F42-I51 HydrophobicContact CZ-CB 4.33Å; F42-I51 HydrophobicContact CZ-CD1 4.5Å; F42-I51 HydrophobicContact CZ-CG1 4.01Å; I51-E53 PolarHBondContact O-N 3.12Å; I51-E53 VanDerWaalsContact O-N 3.12Å; I51-M54 HydrophobicContact CG1-CG 4.4Å; I51-M54 WeakPolarHBondContact O-CB 3.23Å; I51-M54 PolarHBondContact O-N 3.46Å; I51-Q57 HydrophobicContact CG1-CG 4.19Å |
| 52 | C | 95.9 | Very high | 94.4 | Very high | 36 Ų | 36 | 93.8 Ų | 93.8 | 24% | 0.243 | 52% | 0.52 | C | S | . | . | G | 310 helix | trans | -63.7 | -13.5 | 175.4 | 64.8 | 0 | 0 | 0 | 0 | 113.8 | C50 M54 Q58 C60 | C50-C52 PolarHBondContact O-N 2.95Å; C50-C52 VanDerWaalsContact O-N 3.13Å; C52-M54 VanDerWaalsContact C-N 3.26Å; C52-Q58 WeakPolarHBondContact CB-O 3.3Å; C52-C60 HydrophobicContact CB-CB 4.25Å |
| 53 | E | 94 | Very high | 94.5 | Very high | 101 Ų | 101 | 95.4 Ų | 95.4 | 47% | 0.472 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -76.7 | -13.8 | 172.8 | -64.8 | 166.6 | -146.3 | 0 | 0 | 112.6 | R48 Q49 C50 I51 | R48-E53 VanDerWaalsContact CA-OE2 3.31Å; R48-E53 WeakPolarHBondContact CA-OE2 3.4Å; R48-E53 WeakPolarHBondContact CB-OE2 3.32Å; R48-E53 WeakPolarHBondContact CG-OE2 3.38Å; Q49-E53 PolarHBondContact N-OE1 3.18Å; Q49-E53 VanDerWaalsContact N-OE1 3.11Å; C50-E53 PolarHBondContact N-OE1 3.13Å; C50-E53 WeakPolarHBondContact O-CB 3.4Å; C50-E53 PolarHBondContact O-N 2.98Å; I51-E53 PolarHBondContact O-N 3.12Å; I51-E53 VanDerWaalsContact O-N 3.12Å |
| 54 | M | 93.5 | Very high | 94.5 | Very high | 69 Ų | 69 | 97.9 Ų | 97.9 | 34% | 0.34 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -83.6 | 128.5 | 178.7 | -67.1 | -65.9 | -73.8 | 0 | 0 | 111 | F42 R48 I51 C52 Q57 | F42-M54 HydrophobicContact CE1-CG 4.31Å; F42-M54 HydrophobicContact CZ-CG 4.42Å; R48-M54 VanDerWaalsContact CD-SD 3.56Å; R48-M54 PolarHBondContact NH1-SD 3.11Å; I51-M54 HydrophobicContact CG1-CG 4.4Å; I51-M54 WeakPolarHBondContact O-CB 3.23Å; I51-M54 PolarHBondContact O-N 3.46Å; C52-M54 VanDerWaalsContact C-N 3.26Å; M54-Q57 HydrophobicContact CB-CB 4.49Å; M54-Q57 HydrophobicContact CB-CG 3.77Å; M54-Q57 VanDerWaalsContact O-CB 3.32Å; M54-Q57 WeakPolarHBondContact O-CB 3.26Å; M54-Q57 PolarHBondContact O-N 3.14Å; M54-Q57 VanDerWaalsContact O-N 3.14Å |
| 55 | Q | 94 | Very high | 94.6 | Very high | 195 Ų | 195 | 93.9 Ų | 93.9 | 91% | 0.911 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 141.3 | 176.1 | -63.9 | -171.5 | 14.9 | 0 | 0 | 111.4 | Q57 | Q55-Q57 PolarHBondContact O-N 2.97Š|
| 56 | G | 95.6 | Very high | 94.8 | Very high | 83 Ų | 83 | 90.3 Ų | 90.3 | 86% | 0.856 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | -10.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 57 | Q | 95.6 | Very high | 95 | Very high | 104 Ų | 104 | 88.1 Ų | 88.1 | 49% | 0.486 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -87.4 | 165.1 | 172.8 | -56.6 | -59.8 | -22 | 0 | 0 | 111.7 | I51 M54 Q55 | I51-Q57 HydrophobicContact CG1-CG 4.19Å; M54-Q57 HydrophobicContact CB-CB 4.49Å; M54-Q57 HydrophobicContact CB-CG 3.77Å; M54-Q57 VanDerWaalsContact O-CB 3.32Å; M54-Q57 WeakPolarHBondContact O-CB 3.26Å; M54-Q57 PolarHBondContact O-N 3.14Å; M54-Q57 VanDerWaalsContact O-N 3.14Å; Q55-Q57 PolarHBondContact O-N 2.97Å |
| 58 | Q | 94.6 | Very high | 95.1 | Very high | 120 Ų | 120 | 86.5 Ų | 86.5 | 56% | 0.561 | 49% | 0.493 | S | S | * | . | P | Polyproline II helix | trans | -64.8 | 126.5 | 175 | -71.7 | -65.4 | -59.6 | 0 | 0 | 110.1 | C52 | C52-Q58 WeakPolarHBondContact CB-O 3.3Š|
| 59 | P | 96.3 | Very high | 95 | Very high | 52 Ų | 52 | 90.6 Ų | 90.6 | 34% | 0.338 | 51% | 0.509 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 157.8 | 178.2 | 28.9 | -35.3 | 0 | 0 | 0 | 111.1 | V64 | P59-V64 HydrophobicContact CB-CB 4.07Å; P59-V64 HydrophobicContact CB-CG2 4.02Å; P59-V64 HydrophobicContact CG-CB 3.75Å; P59-V64 HydrophobicContact CG-CG1 4.16Å; P59-V64 HydrophobicContact CG-CG2 4.04Å |
| 60 | C | 96.8 | Very high | 94.9 | Very high | 48 Ų | 48 | 87 Ų | 87 | 32% | 0.324 | 49% | 0.493 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 133.3 | 177.4 | -177.7 | 0 | 0 | 0 | 0 | 110.4 | C52 S62 V63 V64 | C52-C60 HydrophobicContact CB-CB 4.25Å; C60-S62 PolarHBondContact O-N 2.9Å; C60-V63 HydrophobicContact CB-CG2 4.31Å; C60-V63 PolarHBondContact O-N 3.05Å; C60-V64 PolarHBondContact O-N 3.33Å |
| 61 | P | 96.6 | Very high | 94.7 | Very high | 73 Ų | 73 | 88.2 Ų | 88.2 | 47% | 0.474 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -22.7 | 178.6 | -24.3 | 33.6 | 0 | 0 | 0 | 114.4 | V63 V64 L66 | P61-V63 VanDerWaalsContact C-N 3.32Å; P61-V64 VanDerWaalsContact CA-O 3.3Å; P61-V64 WeakPolarHBondContact CA-O 3.37Å; P61-L66 HydrophobicContact CB-CD1 4.17Å; P61-L66 HydrophobicContact CB-CG 4.04Å; P61-L66 HydrophobicContact CG-CD1 3.62Å; P61-L66 HydrophobicContact CG-CD2 4.44Å; P61-L66 HydrophobicContact CG-CG 3.77Å |
| 62 | S | 95.4 | Very high | 94.4 | Very high | 115 Ų | 115 | 85.9 Ų | 85.9 | 80% | 0.804 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -29.4 | 175.4 | -168.6 | 0 | 0 | 0 | 0 | 112.5 | C60 | C60-S62 PolarHBondContact O-N 2.9Š|
| 63 | V | 95.3 | Very high | 94.1 | Very high | 117 Ų | 117 | 89.9 Ų | 89.9 | 71% | 0.709 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -46.8 | -179.7 | -176.5 | 0 | 0 | 0 | 0 | 110.5 | C60 P61 | C60-V63 HydrophobicContact CB-CG2 4.31Å; C60-V63 PolarHBondContact O-N 3.05Å; P61-V63 VanDerWaalsContact C-N 3.32Å |
| 64 | V | 95.1 | Very high | 93.9 | Very high | 73 Ų | 73 | 90.1 Ų | 90.1 | 44% | 0.442 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -126.8 | 112.6 | 179 | -177.5 | 0 | 0 | 0 | 0 | 108.2 | P59 C60 P61 L66 | P59-V64 HydrophobicContact CB-CB 4.07Å; P59-V64 HydrophobicContact CB-CG2 4.02Å; P59-V64 HydrophobicContact CG-CB 3.75Å; P59-V64 HydrophobicContact CG-CG1 4.16Å; P59-V64 HydrophobicContact CG-CG2 4.04Å; C60-V64 PolarHBondContact O-N 3.33Å; P61-V64 VanDerWaalsContact CA-O 3.3Å; P61-V64 WeakPolarHBondContact CA-O 3.37Å; V64-L66 PolarHBondContact O-N 2.96Å |
| 65 | P | 95.3 | Very high | 93.6 | Very high | 100 Ų | 100 | 93.6 Ų | 93.6 | 65% | 0.649 | 51% | 0.506 | S | S | * | . | P | Polyproline II helix | trans | -56.1 | 131.8 | 179.5 | -25.2 | 33.5 | 0 | 0 | 0 | 111.7 | ||
| 66 | L | 95 | Very high | 93.2 | Very high | 40 Ų | 40 | 93 Ų | 93 | 21% | 0.209 | 50% | 0.496 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 144.9 | 174.6 | -71.9 | 172.6 | 0 | 0 | 0 | 110.7 | P61 V64 M70 R71 | P61-L66 HydrophobicContact CB-CD1 4.17Å; P61-L66 HydrophobicContact CB-CG 4.04Å; P61-L66 HydrophobicContact CG-CD1 3.62Å; P61-L66 HydrophobicContact CG-CD2 4.44Å; P61-L66 HydrophobicContact CG-CG 3.77Å; V64-L66 PolarHBondContact O-N 2.96Å; L66-M70 HydrophobicContact CB-CB 4.43Å; L66-M70 HydrophobicContact CD2-CE 4.42Å; L66-R71 HydrophobicContact CB-CG 3.95Å; L66-R71 WeakPolarHBondContact O-CD 3.47Å; L66-R71 PolarHBondContact O-NH1 2.66Å |
| 67 | P | 94.3 | Very high | 92.6 | Very high | 52 Ų | 52 | 93.2 Ų | 93.2 | 34% | 0.338 | 48% | 0.477 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 148.3 | 172.4 | -25.6 | 33.8 | 0 | 0 | 0 | 113 | Y69 M70 R71 | P67-Y69 VanDerWaalsContact C-N 3.32Å; P67-Y69 HydrophobicContact CB-CD1 3.66Å; P67-Y69 HydrophobicContact CB-CE1 3.23Å; P67-Y69 HydrophobicContact CG-CE1 3.99Å; P67-Y69 PolarHBondContact O-N 2.98Å; P67-M70 HydrophobicContact CB-CG 4.48Å; P67-M70 HydrophobicContact CG-SD 4.17Å; P67-M70 WeakPolarHBondContact O-CA 3.34Å; P67-M70 WeakPolarHBondContact O-CB 3.41Å; P67-M70 PolarHBondContact O-N 3.28Å; P67-R71 PolarHBondContact O-N 3.24Å |
| 68 | D | 92.5 | Very high | 91.3 | Very high | 73 Ų | 73 | 97.2 Ų | 97.2 | 39% | 0.39 | 49% | 0.493 | S | S | . | . | G | 310 helix | trans | -54.5 | -46.3 | -172.6 | -71.9 | 24.4 | 0 | 0 | 0 | 112.3 | M70 R71 W74 | D68-M70 PolarHBondContact O-N 3.33Å; D68-M70 VanDerWaalsContact O-N 3.08Å; D68-R71 PolarHBondContact O-N 2.65Å; D68-R71 IonicContact OD1-CZ 2.68Å; D68-R71 IonicContact OD1-NH1 2.96Å; D68-R71 PolarHBondContact OD1-NH1 2.89Å; D68-R71 IonicContact OD1-NH2 3.33Å; D68-R71 PolarHBondContact OD1-NH2 2.9Å; D68-R71 IonicContact OD2-NH2 2.74Å; D68-R71 PolarHBondContact OD2-NH2 2.74Å; D68-W74 VanDerWaalsContact CA-CD1 3.49Å; D68-W74 HydrophobicContact CB-CD2 4.38Å; D68-W74 HydrophobicContact CB-CG 3.98Å; D68-W74 WeakPolarHBondContact O-CB 3.49Å; D68-W74 WeakPolarHBondContact OD2-CZ2 2.98Å; D68-W74 PolarHBondContact OD2-NE1 3.08Å |
| 69 | Y | 91.5 | Very high | 90.2 | Very high | 166 Ų | 166 | 98.3 Ų | 98.3 | 65% | 0.651 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -61.1 | -21.5 | 178.5 | 68.3 | -92.4 | 0 | 0 | 0 | 114 | P67 R75 | P67-Y69 VanDerWaalsContact C-N 3.32Å; P67-Y69 HydrophobicContact CB-CD1 3.66Å; P67-Y69 HydrophobicContact CB-CE1 3.23Å; P67-Y69 HydrophobicContact CG-CE1 3.99Å; P67-Y69 PolarHBondContact O-N 2.98Å; Y69-R75 PolarHBondContact O-NE 3.22Å |
| 70 | M | 93 | Very high | 88.6 | Confident | 63 Ų | 63 | 99.2 Ų | 99.2 | 31% | 0.31 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -85.4 | -25.9 | 175.8 | -63.3 | -176.2 | 70 | 0 | 0 | 112.5 | L66 P67 D68 R75 | L66-M70 HydrophobicContact CB-CB 4.43Å; L66-M70 HydrophobicContact CD2-CE 4.42Å; P67-M70 HydrophobicContact CB-CG 4.48Å; P67-M70 HydrophobicContact CG-SD 4.17Å; P67-M70 WeakPolarHBondContact O-CA 3.34Å; P67-M70 WeakPolarHBondContact O-CB 3.41Å; P67-M70 PolarHBondContact O-N 3.28Å; D68-M70 PolarHBondContact O-N 3.33Å; D68-M70 VanDerWaalsContact O-N 3.08Å; M70-R75 PolarHBondContact O-NH2 3.35Å |
| 71 | R | 92.7 | Very high | 86.6 | Confident | 85 Ų | 85 | 105.9 Ų | 105.9 | 32% | 0.321 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -79 | 137.1 | -176.5 | -54.3 | -167.7 | -62 | -106.8 | 6.5 | 111.1 | L66 P67 D68 K73 W74 R75 | L66-R71 HydrophobicContact CB-CG 3.95Å; L66-R71 WeakPolarHBondContact O-CD 3.47Å; L66-R71 PolarHBondContact O-NH1 2.66Å; P67-R71 PolarHBondContact O-N 3.24Å; D68-R71 PolarHBondContact O-N 2.65Å; D68-R71 IonicContact OD1-CZ 2.68Å; D68-R71 IonicContact OD1-NH1 2.96Å; D68-R71 PolarHBondContact OD1-NH1 2.89Å; D68-R71 IonicContact OD1-NH2 3.33Å; D68-R71 PolarHBondContact OD1-NH2 2.9Å; D68-R71 IonicContact OD2-NH2 2.74Å; D68-R71 PolarHBondContact OD2-NH2 2.74Å; R71-K73 PolarHBondContact O-N 3.37Å; R71-K73 VanDerWaalsContact O-N 3.15Å; R71-W74 PolarHBondContact O-N 3.32Å; R71-W74 VanDerWaalsContact O-N 3.11Å; R71-R75 PolarHBondContact O-N 3.15Å |
| 72 | G | 90.1 | Very high | 86.1 | Confident | 38 Ų | 38 | 107.5 Ų | 107.5 | 39% | 0.392 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.1 | -31 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | W74 R75 W76 | G72-W74 VanDerWaalsContact C-N 3.3Å; G72-W74 PolarHBondContact O-N 3.11Å; G72-R75 PolarHBondContact O-N 3.1Å; G72-W76 PolarHBondContact O-N 3.43Å; G72-W76 VanDerWaalsContact O-N 3.1Å |
| 73 | K | 89.4 | Confident | 85.6 | Confident | 121 Ų | 121 | 107.1 Ų | 107.1 | 53% | 0.526 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -53.7 | -42.9 | 175.1 | -178.6 | 179.4 | 177.8 | -174.6 | 0 | 112.6 | R71 N77 L80 | R71-K73 PolarHBondContact O-N 3.37Å; R71-K73 VanDerWaalsContact O-N 3.15Å; K73-N77 WeakPolarHBondContact O-CB 3.48Å; K73-N77 PolarHBondContact O-N 3.24Å; K73-L80 HydrophobicContact CD-CD1 4.05Å; K73-L80 VanDerWaalsContact CE-CD1 3.41Å; K73-L80 HydrophobicContact CG-CD1 3.43Å; K73-L80 VanDerWaalsContact CG-CD1 3.43Å |
| 74 | W | 88.8 | Confident | 85 | Confident | 106 Ų | 106 | 106.6 Ų | 106.6 | 40% | 0.402 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -89.1 | -30.2 | -177.5 | -58.6 | 107.9 | 0 | 0 | 0 | 112.8 | D68 R71 G72 L80 | D68-W74 VanDerWaalsContact CA-CD1 3.49Å; D68-W74 HydrophobicContact CB-CD2 4.38Å; D68-W74 HydrophobicContact CB-CG 3.98Å; D68-W74 WeakPolarHBondContact O-CB 3.49Å; D68-W74 WeakPolarHBondContact OD2-CZ2 2.98Å; D68-W74 PolarHBondContact OD2-NE1 3.08Å; R71-W74 PolarHBondContact O-N 3.32Å; R71-W74 VanDerWaalsContact O-N 3.11Å; G72-W74 VanDerWaalsContact C-N 3.3Å; G72-W74 PolarHBondContact O-N 3.11Å; W74-L80 HydrophobicContact CE3-CB 4.5Å; W74-L80 HydrophobicContact CZ3-CB 4.28Å |
| 75 | R | 87.2 | Confident | 84.4 | Confident | 142 Ų | 142 | 108.5 Ų | 108.5 | 54% | 0.536 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -76.4 | -33.5 | -175.7 | -148.3 | -167.8 | -58.1 | -168.6 | 10 | 113.2 | Y69 M70 R71 G72 | Y69-R75 PolarHBondContact O-NE 3.22Å; M70-R75 PolarHBondContact O-NH2 3.35Å; R71-R75 PolarHBondContact O-N 3.15Å; G72-R75 PolarHBondContact O-N 3.1Å |
| 76 | W | 86.5 | Confident | 83.7 | Confident | 183 Ų | 183 | 109.1 Ų | 109.1 | 69% | 0.693 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -116.4 | -21.4 | -175 | -74 | -80.8 | 0 | 0 | 0 | 115.1 | G72 K78 | G72-W76 PolarHBondContact O-N 3.43Å; G72-W76 VanDerWaalsContact O-N 3.1Å; W76-K78 PolarHBondContact O-N 3.12Å |
| 77 | N | 82.4 | Confident | 83 | Confident | 86 Ų | 86 | 113.7 Ų | 113.7 | 46% | 0.46 | 55% | 0.549 | S | S | . | . | trans | -89.5 | 93.9 | -174.5 | -140.5 | -0.4 | 0 | 0 | 0 | 110 | K73 N79 L80 | K73-N77 WeakPolarHBondContact O-CB 3.48Å; K73-N77 PolarHBondContact O-N 3.24Å; N77-N79 PolarHBondContact O-N 3.19Å; N77-N79 VanDerWaalsContact O-N 3.12Å; N77-L80 HydrophobicContact CB-CD1 4.07Å | ||
| 78 | K | 69.5 | Low | 82.2 | Confident | 189 Ų | 189 | 118.1 Ų | 118.1 | 82% | 0.822 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -5.8 | -178.7 | -62 | -175 | -178.8 | -177.6 | 0 | 114.4 | W76 | W76-K78 PolarHBondContact O-N 3.12Š|
| 79 | N | 70.6 | Confident | 81.4 | Confident | 143 Ų | 143 | 121.5 Ų | 121.5 | 77% | 0.765 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 14 | -175.6 | -60.2 | -24 | 0 | 0 | 0 | 113.4 | N77 | N77-N79 PolarHBondContact O-N 3.19Å; N77-N79 VanDerWaalsContact O-N 3.12Å |
| 80 | L | 62.6 | Low | 80.6 | Confident | 70 Ų | 70 | 117.8 Ų | 117.8 | 37% | 0.366 | 57% | 0.572 | S | S | . | * | trans | -107.1 | 17.5 | -179.5 | -81.1 | 161.8 | 0 | 0 | 0 | 113.4 | K73 W74 N77 | K73-L80 HydrophobicContact CD-CD1 4.05Å; K73-L80 VanDerWaalsContact CE-CD1 3.41Å; K73-L80 HydrophobicContact CG-CD1 3.43Å; K73-L80 VanDerWaalsContact CG-CD1 3.43Å; W74-L80 HydrophobicContact CE3-CB 4.5Å; W74-L80 HydrophobicContact CZ3-CB 4.28Å; N77-L80 HydrophobicContact CB-CD1 4.07Å | ||
| 81 | C | 53.9 | Low | 79.4 | Confident | 188 Ų | 188 | 122.8 Ų | 122.8 | 100% | 1.27 | 60% | 0.596 | S | S | * | * | trans | -112 | 0 | 174 | -51.3 | 0 | 0 | 0 | 0 | 109.9 |
Retrieved 81 of 81 residues in 18.1 ms
(Link to these results)