| 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 | 37.3 | Very low | 46.8 | Very low | 243 Ų | 243 | 160 Ų | 160 | 100% | 1.197 | 82% | 0.823 | S | S | * | * | 0 | 107.1 | 0 | -84.2 | -169.9 | -92.3 | 0 | 0 | 108.1 | K3 | M1-K3 PolarHBondContact O-N 2.79Š| |||
| 2 | I | 38.6 | Very low | 49.2 | Very low | 165 Ų | 165 | 154.1 Ų | 154.1 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -79.3 | 114.9 | -178.6 | -67.2 | 156.1 | 0 | 0 | 0 | 107.6 | V4 | I2-V4 HydrophobicContact CG2-CG2 4.18Š| ||
| 3 | K | 40.1 | Very low | 51.6 | Low | 196 Ų | 196 | 149.3 Ų | 149.3 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | trans | -111 | 107.6 | 164.2 | -84.3 | -175.9 | 175.5 | 178 | 0 | 107.9 | M1 | M1-K3 PolarHBondContact O-N 2.79Š| ||
| 4 | V | 46.5 | Very low | 53.8 | Low | 119 Ų | 119 | 151.8 Ų | 151.8 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | trans | -65.1 | 126.2 | 168.2 | 177.4 | 0 | 0 | 0 | 0 | 107.8 | I2 | I2-V4 HydrophobicContact CG2-CG2 4.18Š| ||
| 5 | Y | 46.9 | Very low | 55.7 | Low | 222 Ų | 222 | 148.5 Ų | 148.5 | 87% | 0.871 | 76% | 0.759 | S | S | * | * | trans | -81.2 | 115.8 | 161.3 | -91.3 | -96.1 | 0 | 0 | 0 | 107.2 | ||||
| 6 | C | 46.5 | Very low | 57.6 | Low | 107 Ų | 107 | 145.4 Ų | 145.4 | 72% | 0.723 | 74% | 0.744 | S | S | * | * | trans | -85 | 115.1 | 164.8 | -91.9 | 0 | 0 | 0 | 0 | 108.2 | I8 | C6-I8 PolarHBondContact O-N 3.02Š| ||
| 7 | D | 43.2 | Very low | 59.3 | Low | 143 Ų | 143 | 142.6 Ų | 142.6 | 77% | 0.765 | 73% | 0.73 | S | S | * | * | trans | -63 | 114.6 | 167.4 | -81.3 | -45.3 | 0 | 0 | 0 | 110.2 | ||||
| 8 | I | 48.9 | Very low | 61 | Low | 158 Ų | 158 | 140.6 Ų | 140.6 | 81% | 0.81 | 72% | 0.721 | S | S | * | * | trans | -99.3 | 81.8 | 171.6 | -58.5 | 168.8 | 0 | 0 | 0 | 107.5 | C6 | C6-I8 PolarHBondContact O-N 3.02Š| ||
| 9 | W | 48.8 | Very low | 62.6 | Low | 225 Ų | 225 | 138.2 Ų | 138.2 | 85% | 0.852 | 71% | 0.709 | S | S | * | * | trans | -96.8 | 76.6 | 157.5 | -73.3 | 85.5 | 0 | 0 | 0 | 107.8 | T11 | W9-T11 VanDerWaalsContact C-N 3.32Å; W9-T11 PolarHBondContact O-N 3.13Å | ||
| 10 | G | 53.3 | Low | 64.1 | Low | 71 Ų | 71 | 136.2 Ų | 136.2 | 73% | 0.732 | 70% | 0.699 | S | S | * | * | trans | -72.6 | 85.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | N12 | G10-N12 PolarHBondContact O-N 3.23Š| ||
| 11 | T | 64.5 | Low | 65.6 | Low | 111 Ų | 111 | 134.5 Ų | 134.5 | 68% | 0.681 | 69% | 0.691 | S | S | * | * | trans | -64.1 | 125 | 170.5 | 45.7 | 0 | 0 | 0 | 0 | 109 | W9 P13 | W9-T11 VanDerWaalsContact C-N 3.32Å; W9-T11 PolarHBondContact O-N 3.13Å; T11-P13 WeakPolarHBondContact O-CD 3.37Å | ||
| 12 | N | 76.3 | Confident | 68.3 | Low | 89 Ų | 89 | 127.7 Ų | 127.7 | 48% | 0.476 | 66% | 0.659 | S | S | . | * | trans | -62.8 | 117 | 179.1 | -176.9 | -22 | 0 | 0 | 0 | 109 | G10 Y14 L15 L16 | G10-N12 PolarHBondContact O-N 3.23Å; N12-Y14 PolarHBondContact O-N 3.44Å; N12-Y14 VanDerWaalsContact O-N 3.15Å; N12-Y14 WeakPolarHBondContact OD1-CB 3.47Å; N12-Y14 WeakPolarHBondContact OD1-CD2 3.28Å; N12-Y14 PolarHBondContact OD1-N 2.87Å; N12-Y14 VanDerWaalsContact OD1-N 3.09Å; N12-L15 HydrophobicContact CB-CB 4.15Å; N12-L15 WeakPolarHBondContact O-CB 3.18Å; N12-L15 PolarHBondContact O-N 3.38Å; N12-L16 PolarHBondContact O-N 2.89Å | ||
| 13 | P | 80.4 | Confident | 71.1 | Confident | 92 Ų | 92 | 124.6 Ų | 124.6 | 60% | 0.597 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -61.8 | -26.1 | -174.8 | 24.5 | -34.3 | 0 | 0 | 0 | 112.8 | T11 L17 | T11-P13 WeakPolarHBondContact O-CD 3.37Å; P13-L17 WeakPolarHBondContact O-CB 3.41Å; P13-L17 PolarHBondContact O-N 3.13Å |
| 14 | Y | 82 | Confident | 73.7 | Confident | 184 Ų | 184 | 120 Ų | 120 | 72% | 0.722 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.1 | -32.4 | 174.4 | -61.8 | -75.6 | 0 | 0 | 0 | 112.4 | N12 L18 | N12-Y14 PolarHBondContact O-N 3.44Å; N12-Y14 VanDerWaalsContact O-N 3.15Å; N12-Y14 WeakPolarHBondContact OD1-CB 3.47Å; N12-Y14 WeakPolarHBondContact OD1-CD2 3.28Å; N12-Y14 PolarHBondContact OD1-N 2.87Å; N12-Y14 VanDerWaalsContact OD1-N 3.09Å; Y14-L18 WeakPolarHBondContact O-CB 3.29Å; Y14-L18 PolarHBondContact O-N 2.92Å |
| 15 | L | 83.1 | Confident | 76.1 | Confident | 102 Ų | 102 | 119.2 Ų | 119.2 | 53% | 0.534 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -71.1 | -39.6 | 175.8 | -174.9 | 64.5 | 0 | 0 | 0 | 111 | N12 L18 L19 | N12-L15 HydrophobicContact CB-CB 4.15Å; N12-L15 WeakPolarHBondContact O-CB 3.18Å; N12-L15 PolarHBondContact O-N 3.38Å; L15-L18 PolarHBondContact O-N 2.86Å; L15-L19 HydrophobicContact CG-CD1 4.34Å; L15-L19 WeakPolarHBondContact O-CB 3.39Å; L15-L19 VanDerWaalsContact O-CG 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.37Å; L15-L19 PolarHBondContact O-N 2.98Å |
| 16 | L | 84.8 | Confident | 78.4 | Confident | 100 Ų | 100 | 113.3 Ų | 113.3 | 52% | 0.524 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.2 | -43.1 | 174 | -170.9 | 70.5 | 0 | 0 | 0 | 111.2 | N12 L19 L20 | N12-L16 PolarHBondContact O-N 2.89Å; L16-L19 PolarHBondContact O-N 3.16Å; L16-L20 HydrophobicContact CG-CD1 4.32Å; L16-L20 WeakPolarHBondContact O-CB 3.49Å; L16-L20 VanDerWaalsContact O-CG 3.29Å; L16-L20 WeakPolarHBondContact O-CG 3.4Å; L16-L20 PolarHBondContact O-N 3.41Å |
| 17 | L | 87.6 | Confident | 80.8 | Confident | 97 Ų | 97 | 113.8 Ų | 113.8 | 51% | 0.508 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63 | -41.7 | 175.4 | -174.2 | 65.7 | 0 | 0 | 0 | 111.9 | P13 L20 L21 | P13-L17 WeakPolarHBondContact O-CB 3.41Å; P13-L17 PolarHBondContact O-N 3.13Å; L17-L20 PolarHBondContact O-N 3.45Å; L17-L21 HydrophobicContact CG-CD1 4.24Å; L17-L21 WeakPolarHBondContact O-CB 3.43Å; L17-L21 VanDerWaalsContact O-CG 3.3Å; L17-L21 WeakPolarHBondContact O-CG 3.02Å; L17-L21 PolarHBondContact O-N 3.21Å |
| 18 | L | 89.8 | Confident | 83.3 | Confident | 107 Ų | 107 | 112.3 Ų | 112.3 | 56% | 0.56 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.9 | -42.6 | 176.6 | -168.9 | 75.1 | 0 | 0 | 0 | 111.7 | Y14 L15 L21 L22 | Y14-L18 WeakPolarHBondContact O-CB 3.29Å; Y14-L18 PolarHBondContact O-N 2.92Å; L15-L18 PolarHBondContact O-N 2.86Å; L18-L21 PolarHBondContact O-N 3.35Å; L18-L22 VanDerWaalsContact O-CB 3.32Å; L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 PolarHBondContact O-N 3.22Å |
| 19 | L | 91.1 | Very high | 85.6 | Confident | 94 Ų | 94 | 109.5 Ų | 109.5 | 49% | 0.492 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.4 | -40 | 175.8 | -74.3 | 168.4 | 0 | 0 | 0 | 111.9 | L15 L16 L22 L23 | L15-L19 HydrophobicContact CG-CD1 4.34Å; L15-L19 WeakPolarHBondContact O-CB 3.39Å; L15-L19 VanDerWaalsContact O-CG 3.31Å; L15-L19 WeakPolarHBondContact O-CG 3.37Å; L15-L19 PolarHBondContact O-N 2.98Å; L16-L19 PolarHBondContact O-N 3.16Å; L19-L22 PolarHBondContact O-N 3.12Å; L19-L23 WeakPolarHBondContact O-CB 3.41Å; L19-L23 WeakPolarHBondContact O-CG 3.44Å; L19-L23 PolarHBondContact O-N 3.48Å |
| 20 | L | 93.2 | Very high | 87.9 | Confident | 98 Ų | 98 | 106.1 Ų | 106.1 | 51% | 0.513 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66 | -42 | 175.4 | -73.6 | 170 | 0 | 0 | 0 | 112.1 | L16 L17 L22 L23 L24 | L16-L20 HydrophobicContact CG-CD1 4.32Å; L16-L20 WeakPolarHBondContact O-CB 3.49Å; L16-L20 VanDerWaalsContact O-CG 3.29Å; L16-L20 WeakPolarHBondContact O-CG 3.4Å; L16-L20 PolarHBondContact O-N 3.41Å; L17-L20 PolarHBondContact O-N 3.45Å; L20-L22 VanDerWaalsContact C-N 3.35Å; L20-L23 PolarHBondContact O-N 3.31Å; L20-L24 VanDerWaalsContact O-CB 3.31Å; L20-L24 WeakPolarHBondContact O-CB 3.33Å; L20-L24 PolarHBondContact O-N 3.12Å |
| 21 | L | 94.6 | Very high | 89.9 | Confident | 102 Ų | 102 | 110.6 Ų | 110.6 | 53% | 0.534 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.3 | -39.9 | 175.2 | -73.9 | 170.1 | 0 | 0 | 0 | 111.8 | L17 L18 L24 L25 | L17-L21 HydrophobicContact CG-CD1 4.24Å; L17-L21 WeakPolarHBondContact O-CB 3.43Å; L17-L21 VanDerWaalsContact O-CG 3.3Å; L17-L21 WeakPolarHBondContact O-CG 3.02Å; L17-L21 PolarHBondContact O-N 3.21Å; L18-L21 PolarHBondContact O-N 3.35Å; L21-L24 PolarHBondContact O-N 2.65Å; L21-L25 WeakPolarHBondContact O-CB 3.23Å; L21-L25 PolarHBondContact O-N 3.42Å |
| 22 | L | 95.3 | Very high | 91.4 | Very high | 99 Ų | 99 | 112.5 Ų | 112.5 | 52% | 0.518 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -69.7 | -41.2 | 178.7 | -162.5 | 138.6 | 0 | 0 | 0 | 111.5 | L18 L19 L20 L25 L26 | L18-L22 VanDerWaalsContact O-CB 3.32Å; L18-L22 WeakPolarHBondContact O-CB 3.49Å; L18-L22 PolarHBondContact O-N 3.22Å; L19-L22 PolarHBondContact O-N 3.12Å; L20-L22 VanDerWaalsContact C-N 3.35Å; L22-L25 PolarHBondContact O-N 3.38Å; L22-L26 HydrophobicContact CD2-CD1 3.74Å; L22-L26 HydrophobicContact CD2-CG 4.3Å; L22-L26 WeakPolarHBondContact O-CB 3.07Å; L22-L26 VanDerWaalsContact O-CG 3.28Å; L22-L26 WeakPolarHBondContact O-CG 3.34Å; L22-L26 PolarHBondContact O-N 3.41Å |
| 23 | L | 95.5 | Very high | 92.3 | Very high | 100 Ų | 100 | 115.6 Ų | 115.6 | 52% | 0.524 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.9 | -43.3 | 171.5 | -82.9 | 162.9 | 0 | 0 | 0 | 112 | L19 L20 L26 L27 | L19-L23 WeakPolarHBondContact O-CB 3.41Å; L19-L23 WeakPolarHBondContact O-CG 3.44Å; L19-L23 PolarHBondContact O-N 3.48Å; L20-L23 PolarHBondContact O-N 3.31Å; L23-L26 PolarHBondContact O-N 3.39Å; L23-L27 WeakPolarHBondContact O-CB 3.4Å; L23-L27 VanDerWaalsContact O-CG 3.32Å; L23-L27 WeakPolarHBondContact O-CG 3.05Å; L23-L27 PolarHBondContact O-N 3.13Å |
| 24 | L | 96 | Very high | 92.9 | Very high | 101 Ų | 101 | 117.5 Ų | 117.5 | 53% | 0.529 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.3 | -40.2 | 178.6 | -165.2 | 144 | 0 | 0 | 0 | 111.3 | L20 L21 L27 L28 | L20-L24 VanDerWaalsContact O-CB 3.31Å; L20-L24 WeakPolarHBondContact O-CB 3.33Å; L20-L24 PolarHBondContact O-N 3.12Å; L21-L24 PolarHBondContact O-N 2.65Å; L24-L27 PolarHBondContact O-N 2.87Å; L24-L28 HydrophobicContact CD2-CD1 3.67Å; L24-L28 HydrophobicContact CD2-CG 4.18Å; L24-L28 VanDerWaalsContact O-CG 3.31Å; L24-L28 WeakPolarHBondContact O-CG 3.4Å; L24-L28 PolarHBondContact O-N 3.31Å |
| 25 | L | 96.1 | Very high | 93.4 | Very high | 102 Ų | 102 | 114.7 Ų | 114.7 | 53% | 0.534 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 175.3 | -169 | 133.9 | 0 | 0 | 0 | 112 | L21 L22 L28 L29 | L21-L25 WeakPolarHBondContact O-CB 3.23Å; L21-L25 PolarHBondContact O-N 3.42Å; L22-L25 PolarHBondContact O-N 3.38Å; L25-L28 PolarHBondContact O-N 3.16Å; L25-L29 HydrophobicContact CD2-CD1 3.67Å; L25-L29 HydrophobicContact CD2-CG 4.36Å; L25-L29 VanDerWaalsContact O-CG 3.31Å; L25-L29 WeakPolarHBondContact O-CG 2.82Å; L25-L29 PolarHBondContact O-N 2.98Å |
| 26 | L | 96.2 | Very high | 93.7 | Very high | 98 Ų | 98 | 112.7 Ų | 112.7 | 51% | 0.513 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.2 | -40.2 | 174.6 | -71.4 | 174.7 | 0 | 0 | 0 | 112.2 | L22 L23 L29 Y30 | L22-L26 HydrophobicContact CD2-CD1 3.74Å; L22-L26 HydrophobicContact CD2-CG 4.3Å; L22-L26 WeakPolarHBondContact O-CB 3.07Å; L22-L26 VanDerWaalsContact O-CG 3.28Å; L22-L26 WeakPolarHBondContact O-CG 3.34Å; L22-L26 PolarHBondContact O-N 3.41Å; L23-L26 PolarHBondContact O-N 3.39Å; L26-L29 PolarHBondContact O-N 2.03Å; L26-Y30 WeakPolarHBondContact O-CB 3.09Å; L26-Y30 PolarHBondContact O-N 2.87Å |
| 27 | L | 96.4 | Very high | 93.9 | Very high | 117 Ų | 117 | 110.5 Ų | 110.5 | 61% | 0.613 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.3 | -41.2 | 175.5 | -73.9 | 171.3 | 0 | 0 | 0 | 112.1 | L23 L24 Y30 Y31 | L23-L27 WeakPolarHBondContact O-CB 3.4Å; L23-L27 VanDerWaalsContact O-CG 3.32Å; L23-L27 WeakPolarHBondContact O-CG 3.05Å; L23-L27 PolarHBondContact O-N 3.13Å; L24-L27 PolarHBondContact O-N 2.87Å; L27-Y30 PolarHBondContact O-N 2.86Å; L27-Y31 PolarHBondContact O-N 3.27Å |
| 28 | L | 96.4 | Very high | 93.8 | Very high | 111 Ų | 111 | 110 Ų | 110 | 58% | 0.581 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.6 | -42.9 | 175.4 | -72.9 | 176.2 | 0 | 0 | 0 | 111.8 | L24 L25 Y31 Y32 | L24-L28 HydrophobicContact CD2-CD1 3.67Å; L24-L28 HydrophobicContact CD2-CG 4.18Å; L24-L28 VanDerWaalsContact O-CG 3.31Å; L24-L28 WeakPolarHBondContact O-CG 3.4Å; L24-L28 PolarHBondContact O-N 3.31Å; L25-L28 PolarHBondContact O-N 3.16Å; L28-Y31 PolarHBondContact O-N 3.28Å; L28-Y32 WeakPolarHBondContact O-CB 3.21Å; L28-Y32 PolarHBondContact O-N 2.78Å |
| 29 | L | 96.4 | Very high | 93.5 | Very high | 99 Ų | 99 | 108.5 Ų | 108.5 | 52% | 0.518 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.3 | -41 | 176.4 | -71.7 | 174.9 | 0 | 0 | 0 | 111.9 | L25 L26 Y32 Y33 | L25-L29 HydrophobicContact CD2-CD1 3.67Å; L25-L29 HydrophobicContact CD2-CG 4.36Å; L25-L29 VanDerWaalsContact O-CG 3.31Å; L25-L29 WeakPolarHBondContact O-CG 2.82Å; L25-L29 PolarHBondContact O-N 2.98Å; L26-L29 PolarHBondContact O-N 2.03Å; L29-Y32 PolarHBondContact O-N 2.91Å; L29-Y33 WeakPolarHBondContact O-CB 3.41Å; L29-Y33 PolarHBondContact O-N 2.05Å |
| 30 | Y | 96.3 | Very high | 92.9 | Very high | 155 Ų | 155 | 108.7 Ų | 108.7 | 61% | 0.608 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.5 | -46.5 | 175.3 | 176.6 | -98.8 | 0 | 0 | 0 | 111.8 | L26 L27 Y33 Y34 | L26-Y30 WeakPolarHBondContact O-CB 3.09Å; L26-Y30 PolarHBondContact O-N 2.87Å; L27-Y30 PolarHBondContact O-N 2.86Å; Y30-Y33 PolarHBondContact O-N 2.8Å; Y30-Y34 WeakPolarHBondContact O-CB 3.13Å; Y30-Y34 PolarHBondContact O-N 3.11Å |
| 31 | Y | 96.1 | Very high | 92.2 | Very high | 165 Ų | 165 | 109.1 Ų | 109.1 | 65% | 0.647 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.1 | -41.5 | 179 | -167.4 | -96.7 | 0 | 0 | 0 | 111.9 | L27 L28 Y34 Y35 | L27-Y31 PolarHBondContact O-N 3.27Å; L28-Y31 PolarHBondContact O-N 3.28Å; Y31-Y34 PolarHBondContact O-N 2.85Å; Y31-Y35 WeakPolarHBondContact O-CB 3.38Å; Y31-Y35 PolarHBondContact O-N 2.77Å |
| 32 | Y | 95.4 | Very high | 91 | Very high | 151 Ų | 151 | 108.1 Ų | 108.1 | 59% | 0.592 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.5 | -46 | 175.1 | -177.9 | -101.8 | 0 | 0 | 0 | 111.8 | L28 L29 Y34 Y35 I36 | L28-Y32 WeakPolarHBondContact O-CB 3.21Å; L28-Y32 PolarHBondContact O-N 2.78Å; L29-Y32 PolarHBondContact O-N 2.91Å; Y32-Y34 PolarHBondContact O-N 3.41Å; Y32-Y35 WeakPolarHBondContact O-CB 2.9Å; Y32-Y35 PolarHBondContact O-N 3.13Å; Y32-I36 HydrophobicContact CD1-CG1 4.32Å; Y32-I36 HydrophobicContact CE1-CD1 4.42Å; Y32-I36 HydrophobicContact CE1-CG1 3.94Å; Y32-I36 HydrophobicContact CE2-CD1 4.43Å; Y32-I36 HydrophobicContact CE2-CG1 4.47Å; Y32-I36 WeakPolarHBondContact O-CG1 3.24Å; Y32-I36 PolarHBondContact O-N 3Å |
| 33 | Y | 94.9 | Very high | 89.5 | Confident | 153 Ų | 153 | 107.7 Ų | 107.7 | 60% | 0.6 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.3 | -45.6 | 176.5 | -177.6 | -98 | 0 | 0 | 0 | 111.8 | L29 Y30 Y35 I36 I37 | L29-Y33 WeakPolarHBondContact O-CB 3.41Å; L29-Y33 PolarHBondContact O-N 2.05Å; Y30-Y33 PolarHBondContact O-N 2.8Å; Y33-Y35 VanDerWaalsContact C-N 3.32Å; Y33-Y35 PolarHBondContact O-N 3.49Å; Y33-I36 PolarHBondContact O-N 3.13Å; Y33-I37 HydrophobicContact CD1-CG1 4.16Å; Y33-I37 HydrophobicContact CE1-CD1 4.21Å; Y33-I37 HydrophobicContact CE1-CG1 3.77Å; Y33-I37 WeakPolarHBondContact O-CG1 3.38Å; Y33-I37 PolarHBondContact O-N 3.17Å |
| 34 | Y | 94.4 | Very high | 87.9 | Confident | 132 Ų | 132 | 107.2 Ų | 107.2 | 52% | 0.518 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62 | -39.7 | 177.7 | -163.9 | -101.1 | 0 | 0 | 0 | 112.1 | Y30 Y31 Y32 I37 I38 | Y30-Y34 WeakPolarHBondContact O-CB 3.13Å; Y30-Y34 PolarHBondContact O-N 3.11Å; Y31-Y34 PolarHBondContact O-N 2.85Å; Y32-Y34 PolarHBondContact O-N 3.41Å; Y34-I37 PolarHBondContact O-N 2.89Å; Y34-I38 HydrophobicContact CD1-CD1 3.7Å; Y34-I38 HydrophobicContact CD1-CG1 4.32Å; Y34-I38 HydrophobicContact CE1-CD1 3.54Å; Y34-I38 HydrophobicContact CE1-CG1 4.19Å; Y34-I38 WeakPolarHBondContact O-CG1 3.24Å; Y34-I38 PolarHBondContact O-N 3.45Å |
| 35 | Y | 92.8 | Very high | 86.3 | Confident | 126 Ų | 126 | 107.6 Ų | 107.6 | 49% | 0.494 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 174.9 | -176.4 | -97.1 | 0 | 0 | 0 | 112.5 | Y31 Y32 Y33 I37 I38 I39 | Y31-Y35 WeakPolarHBondContact O-CB 3.38Å; Y31-Y35 PolarHBondContact O-N 2.77Å; Y32-Y35 WeakPolarHBondContact O-CB 2.9Å; Y32-Y35 PolarHBondContact O-N 3.13Å; Y33-Y35 VanDerWaalsContact C-N 3.32Å; Y33-Y35 PolarHBondContact O-N 3.49Å; Y35-I37 VanDerWaalsContact C-N 3.33Å; Y35-I37 PolarHBondContact O-N 2.79Å; Y35-I38 PolarHBondContact O-N 3.03Å; Y35-I39 HydrophobicContact CD1-CD1 4.12Å; Y35-I39 HydrophobicContact CD1-CG1 4.45Å; Y35-I39 HydrophobicContact CE1-CD1 3.39Å; Y35-I39 HydrophobicContact CE1-CG1 4.07Å; Y35-I39 PolarHBondContact O-N 3.08Å |
| 36 | I | 89.1 | Confident | 84.9 | Confident | 59 Ų | 59 | 106 Ų | 106 | 30% | 0.303 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61 | -42.7 | 175.3 | -66.7 | -63.5 | 0 | 0 | 0 | 111.1 | Y32 Y33 I38 I39 I40 | Y32-I36 HydrophobicContact CD1-CG1 4.32Å; Y32-I36 HydrophobicContact CE1-CD1 4.42Å; Y32-I36 HydrophobicContact CE1-CG1 3.94Å; Y32-I36 HydrophobicContact CE2-CD1 4.43Å; Y32-I36 HydrophobicContact CE2-CG1 4.47Å; Y32-I36 WeakPolarHBondContact O-CG1 3.24Å; Y32-I36 PolarHBondContact O-N 3Å; Y33-I36 PolarHBondContact O-N 3.13Å; I36-I38 VanDerWaalsContact C-N 3.34Å; I36-I38 PolarHBondContact O-N 3.11Å; I36-I39 PolarHBondContact O-N 2.75Å; I36-I40 HydrophobicContact CG2-CD1 3.77Å; I36-I40 HydrophobicContact CG2-CG1 4.4Å; I36-I40 VanDerWaalsContact O-CG1 3.32Å; I36-I40 WeakPolarHBondContact O-CG1 3.27Å; I36-I40 PolarHBondContact O-N 3.29Å |
| 37 | I | 88 | Confident | 83.8 | Confident | 55 Ų | 55 | 108.1 Ų | 108.1 | 28% | 0.282 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61 | -42.4 | 176.3 | -67.2 | -67.4 | 0 | 0 | 0 | 111.3 | Y33 Y34 Y35 I39 I40 I41 | Y33-I37 HydrophobicContact CD1-CG1 4.16Å; Y33-I37 HydrophobicContact CE1-CD1 4.21Å; Y33-I37 HydrophobicContact CE1-CG1 3.77Å; Y33-I37 WeakPolarHBondContact O-CG1 3.38Å; Y33-I37 PolarHBondContact O-N 3.17Å; Y34-I37 PolarHBondContact O-N 2.89Å; Y35-I37 VanDerWaalsContact C-N 3.33Å; Y35-I37 PolarHBondContact O-N 2.79Å; I37-I39 PolarHBondContact O-N 3.23Å; I37-I40 PolarHBondContact O-N 3.43Å; I37-I41 HydrophobicContact CG2-CD1 3.64Å; I37-I41 HydrophobicContact CG2-CG1 4.37Å; I37-I41 VanDerWaalsContact O-CG1 3.26Å; I37-I41 WeakPolarHBondContact O-CG1 3.32Å; I37-I41 PolarHBondContact O-N 2.83Å |
| 38 | I | 86.3 | Confident | 82.5 | Confident | 85 Ų | 85 | 108.9 Ų | 108.9 | 44% | 0.436 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -60.8 | -44 | 175.5 | -70.6 | 173.6 | 0 | 0 | 0 | 111.4 | Y34 Y35 I36 I40 I41 S42 | Y34-I38 HydrophobicContact CD1-CD1 3.7Å; Y34-I38 HydrophobicContact CD1-CG1 4.32Å; Y34-I38 HydrophobicContact CE1-CD1 3.54Å; Y34-I38 HydrophobicContact CE1-CG1 4.19Å; Y34-I38 WeakPolarHBondContact O-CG1 3.24Å; Y34-I38 PolarHBondContact O-N 3.45Å; Y35-I38 PolarHBondContact O-N 3.03Å; I36-I38 VanDerWaalsContact C-N 3.34Å; I36-I38 PolarHBondContact O-N 3.11Å; I38-I40 VanDerWaalsContact C-N 3.34Å; I38-I40 PolarHBondContact O-N 3.27Å; I38-I41 PolarHBondContact O-N 3.49Å; I38-S42 PolarHBondContact O-N 2.77Å; I38-S42 PolarHBondContact O-OG 3.13Å |
| 39 | I | 82.3 | Confident | 81.6 | Confident | 77 Ų | 77 | 109.9 Ų | 109.9 | 40% | 0.395 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.6 | -41.2 | 177.1 | -72 | -163.2 | 0 | 0 | 0 | 111.6 | Y35 I36 I37 S42 S43 | Y35-I39 HydrophobicContact CD1-CD1 4.12Å; Y35-I39 HydrophobicContact CD1-CG1 4.45Å; Y35-I39 HydrophobicContact CE1-CD1 3.39Å; Y35-I39 HydrophobicContact CE1-CG1 4.07Å; Y35-I39 PolarHBondContact O-N 3.08Å; I36-I39 PolarHBondContact O-N 2.75Å; I37-I39 PolarHBondContact O-N 3.23Å; I39-S42 PolarHBondContact O-N 2.93Å; I39-S42 PolarHBondContact O-OG 2.7Å; I39-S43 PolarHBondContact O-N 2.85Å |
| 40 | I | 80.3 | Confident | 80.5 | Confident | 98 Ų | 98 | 110.1 Ų | 110.1 | 50% | 0.503 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.9 | -44.2 | 178 | -67.4 | 167.7 | 0 | 0 | 0 | 110 | I36 I37 I38 S43 | I36-I40 HydrophobicContact CG2-CD1 3.77Å; I36-I40 HydrophobicContact CG2-CG1 4.4Å; I36-I40 VanDerWaalsContact O-CG1 3.32Å; I36-I40 WeakPolarHBondContact O-CG1 3.27Å; I36-I40 PolarHBondContact O-N 3.29Å; I37-I40 PolarHBondContact O-N 3.43Å; I38-I40 VanDerWaalsContact C-N 3.34Å; I38-I40 PolarHBondContact O-N 3.27Å; I40-S43 PolarHBondContact O-N 3.02Å; I40-S43 PolarHBondContact O-OG 2.85Å |
| 41 | I | 76.8 | Confident | 78.6 | Confident | 107 Ų | 107 | 112.5 Ų | 112.5 | 55% | 0.549 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -64.8 | -41.3 | 179.3 | -65.9 | 167.1 | 0 | 0 | 0 | 111.2 | I37 I38 S43 S44 | I37-I41 HydrophobicContact CG2-CD1 3.64Å; I37-I41 HydrophobicContact CG2-CG1 4.37Å; I37-I41 VanDerWaalsContact O-CG1 3.26Å; I37-I41 WeakPolarHBondContact O-CG1 3.32Å; I37-I41 PolarHBondContact O-N 2.83Å; I38-I41 PolarHBondContact O-N 3.49Å; I41-S43 VanDerWaalsContact C-N 3.25Å; I41-S43 PolarHBondContact O-N 3.43Å; I41-S44 PolarHBondContact O-N 3.4Å; I41-S44 PolarHBondContact O-OG 2.84Å |
| 42 | S | 70.3 | Confident | 77.1 | Confident | 81 Ų | 81 | 110 Ų | 110 | 57% | 0.566 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.9 | -18.5 | 178.3 | 63.9 | 0 | 0 | 0 | 0 | 114.2 | I38 I39 S44 | I38-S42 PolarHBondContact O-N 2.77Å; I38-S42 PolarHBondContact O-OG 3.13Å; I39-S42 PolarHBondContact O-N 2.93Å; I39-S42 PolarHBondContact O-OG 2.7Å; S42-S44 VanDerWaalsContact C-N 3.32Å |
| 43 | S | 63.6 | Low | 75.5 | Confident | 90 Ų | 90 | 108.5 Ų | 108.5 | 63% | 0.629 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -3.9 | 174.9 | 72.6 | 0 | 0 | 0 | 0 | 114.6 | I39 I40 I41 | I39-S43 PolarHBondContact O-N 2.85Å; I40-S43 PolarHBondContact O-N 3.02Å; I40-S43 PolarHBondContact O-OG 2.85Å; I41-S43 VanDerWaalsContact C-N 3.25Å; I41-S43 PolarHBondContact O-N 3.43Å |
| 44 | S | 61.5 | Low | 74 | Confident | 90 Ų | 90 | 108.3 Ų | 108.3 | 63% | 0.629 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | -2 | -172.8 | 67.8 | 0 | 0 | 0 | 0 | 115.4 | I41 S42 G46 | I41-S44 PolarHBondContact O-N 3.4Å; I41-S44 PolarHBondContact O-OG 2.84Å; S42-S44 VanDerWaalsContact C-N 3.32Å; S44-G46 VanDerWaalsContact C-N 3.3Å; S44-G46 PolarHBondContact O-N 2.94Å |
| 45 | T | 63.4 | Low | 72.4 | Confident | 109 Ų | 109 | 107.2 Ų | 107.2 | 67% | 0.669 | 63% | 0.627 | S | S | * | * | trans | -88.4 | 71.9 | 166.9 | 57.5 | 0 | 0 | 0 | 0 | 109.8 | D47 | T45-D47 PolarHBondContact O-N 3.19Å; T45-D47 VanDerWaalsContact O-N 3.13Å | ||
| 46 | G | 66.1 | Low | 70.8 | Confident | 67 Ų | 67 | 109.7 Ų | 109.7 | 69% | 0.691 | 64% | 0.643 | S | S | * | * | trans | -70.8 | 98.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | S44 C48 | S44-G46 VanDerWaalsContact C-N 3.3Å; S44-G46 PolarHBondContact O-N 2.94Å; G46-C48 PolarHBondContact O-N 3.38Å | ||
| 47 | D | 73.1 | Confident | 69.1 | Low | 143 Ų | 143 | 113 Ų | 113 | 77% | 0.765 | 66% | 0.657 | S | S | * | * | trans | -62.2 | 123 | 174.5 | -75.1 | -42.9 | 0 | 0 | 0 | 110 | T45 V49 | T45-D47 PolarHBondContact O-N 3.19Å; T45-D47 VanDerWaalsContact O-N 3.13Å; D47-V49 VanDerWaalsContact C-N 3.34Å; D47-V49 PolarHBondContact O-N 3.39Å | ||
| 48 | C | 70.1 | Confident | 67.6 | Low | 134 Ų | 134 | 114.7 Ų | 114.7 | 91% | 0.905 | 67% | 0.67 | S | S | * | * | trans | -67.8 | 92.9 | 170.2 | -70.9 | 0 | 0 | 0 | 0 | 109.1 | G46 | G46-C48 PolarHBondContact O-N 3.38Š| ||
| 49 | V | 76.1 | Confident | 66.3 | Low | 132 Ų | 132 | 115.5 Ų | 115.5 | 80% | 0.8 | 68% | 0.675 | S | S | * | * | trans | -73.4 | 130.5 | 170.2 | -138.4 | 0 | 0 | 0 | 0 | 108.6 | D47 | D47-V49 VanDerWaalsContact C-N 3.34Å; D47-V49 PolarHBondContact O-N 3.39Å | ||
| 50 | S | 73.4 | Confident | 65.4 | Low | 103 Ų | 103 | 112.2 Ų | 112.2 | 72% | 0.72 | 66% | 0.66 | S | S | * | * | trans | -58.4 | 140.5 | 173.9 | 47.6 | 0 | 0 | 0 | 0 | 109.9 | T52 | S50-T52 PolarHBondContact O-N 3.39Š| ||
| 51 | K | 56.3 | Low | 65.2 | Low | 206 Ų | 206 | 113.7 Ų | 113.7 | 90% | 0.896 | 67% | 0.668 | S | S | * | * | trans | -58.3 | 110.5 | 170.2 | -70.4 | -171.4 | 178.4 | -177.8 | 0 | 107.1 | ||||
| 52 | T | 65.1 | Low | 65.6 | Low | 113 Ų | 113 | 111.6 Ų | 111.6 | 69% | 0.693 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 142.3 | 161.9 | 44.7 | 0 | 0 | 0 | 0 | 107.5 | S50 I54 | S50-T52 PolarHBondContact O-N 3.39Å; T52-I54 PolarHBondContact O-N 3.42Å |
| 53 | P | 62.6 | Low | 66.4 | Low | 118 Ų | 118 | 110 Ų | 110 | 77% | 0.766 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 122.6 | 170.5 | -18.8 | 29.2 | 0 | 0 | 0 | 106.5 | P55 | P53-P55 VanDerWaalsContact O-CD 3.31Å; P53-P55 WeakPolarHBondContact O-CD 3.48Å |
| 54 | I | 62.6 | Low | 67.6 | Low | 149 Ų | 149 | 113.5 Ų | 113.5 | 76% | 0.764 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 116.8 | 170.9 | -61 | 165 | 0 | 0 | 0 | 104.3 | T52 Q56 | T52-I54 PolarHBondContact O-N 3.42Å; I54-Q56 PolarHBondContact O-N 2.77Å |
| 55 | P | 60 | Low | 69.1 | Low | 109 Ų | 109 | 112.8 Ų | 112.8 | 71% | 0.708 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -53.5 | 125.6 | 175.8 | 19.5 | -28.1 | 0 | 0 | 0 | 105.6 | P53 H57 | P53-P55 VanDerWaalsContact O-CD 3.31Å; P53-P55 WeakPolarHBondContact O-CD 3.48Å; P55-H57 PolarHBondContact O-N 2.89Å |
| 56 | Q | 60.8 | Low | 70.6 | Confident | 178 Ų | 178 | 110.2 Ų | 110.2 | 83% | 0.832 | 62% | 0.624 | S | S | * | * | trans | -42 | 130.2 | -178 | -76.2 | -173.9 | -31.7 | 0 | 0 | 108.5 | I54 V58 | I54-Q56 PolarHBondContact O-N 2.77Å; Q56-V58 VanDerWaalsContact C-N 3.26Å; Q56-V58 WeakPolarHBondContact O-CG2 3.46Å; Q56-V58 PolarHBondContact O-N 3.49Å | ||
| 57 | H | 52.4 | Low | 72 | Confident | 130 Ų | 130 | 115.8 Ų | 115.8 | 60% | 0.602 | 63% | 0.632 | S | S | * | * | trans | -57.1 | 93.9 | 178.9 | -162.9 | -83.5 | 0 | 0 | 0 | 107.6 | P55 D59 | P55-H57 PolarHBondContact O-N 2.89Å; H57-D59 IonicContact CE1-OD1 3.23Å; H57-D59 PolarHBondContact CE1-OD1 2.69Å; H57-D59 VanDerWaalsContact CE1-OD1 3.23Å; H57-D59 IonicContact ND1-OD1 2.8Å; H57-D59 PolarHBondContact ND1-OD1 2.74Å; H57-D59 PolarHBondContact O-N 2.91Å | ||
| 58 | V | 57.4 | Low | 73.2 | Confident | 90 Ų | 90 | 112.4 Ų | 112.4 | 55% | 0.545 | 61% | 0.608 | S | S | . | * | trans | -79.2 | 104.2 | 170.5 | -169.9 | 0 | 0 | 0 | 0 | 103.7 | Q56 G60 P89 | Q56-V58 VanDerWaalsContact C-N 3.26Å; Q56-V58 WeakPolarHBondContact O-CG2 3.46Å; Q56-V58 PolarHBondContact O-N 3.49Å; V58-G60 PolarHBondContact O-N 2.7Å; V58-P89 HydrophobicContact CB-CG 3.78Å; V58-P89 HydrophobicContact CG1-CG 3.54Å; V58-P89 WeakPolarHBondContact O-CG 3.39Å | ||
| 59 | D | 58.1 | Low | 74.5 | Confident | 102 Ų | 102 | 107.5 Ų | 107.5 | 55% | 0.545 | 58% | 0.576 | S | S | . | * | P | Polyproline II helix | trans | -53.7 | 129.3 | 170.5 | -68.6 | -27.9 | 0 | 0 | 0 | 107.6 | H57 D61 | H57-D59 IonicContact CE1-OD1 3.23Å; H57-D59 PolarHBondContact CE1-OD1 2.69Å; H57-D59 VanDerWaalsContact CE1-OD1 3.23Å; H57-D59 IonicContact ND1-OD1 2.8Å; H57-D59 PolarHBondContact ND1-OD1 2.74Å; H57-D59 PolarHBondContact O-N 2.91Å; D59-D61 PolarHBondContact O-N 2.9Å |
| 60 | G | 63.9 | Low | 75.4 | Confident | 7 Ų | 7 | 109.6 Ų | 109.6 | 7% | 0.072 | 58% | 0.579 | C | S | . | * | P | Polyproline II helix | trans | -63 | 134.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | V58 P89 N91 C92 | V58-G60 PolarHBondContact O-N 2.7Å; G60-P89 WeakPolarHBondContact CA-O 3.43Å; G60-N91 PolarHBondContact N-O 2.81Å; G60-C92 PolarHBondContact O-SG 3.25Å |
| 61 | D | 76.4 | Confident | 76.5 | Confident | 129 Ų | 129 | 106.7 Ų | 106.7 | 69% | 0.69 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 127 | 171.5 | -83.8 | -28.3 | 0 | 0 | 0 | 110.4 | D59 | D59-D61 PolarHBondContact O-N 2.9Š|
| 62 | W | 84.6 | Confident | 78.4 | Confident | 63 Ų | 63 | 99 Ų | 99 | 24% | 0.239 | 53% | 0.53 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 137.6 | 171.5 | -78.8 | 110.9 | 0 | 0 | 0 | 110.4 | R84 C86 C92 V93 G94 | W62-R84 VanDerWaalsContact CD1-CZ 3.49Å; W62-R84 HydrophobicContact CD2-CG 4.11Å; W62-R84 VanDerWaalsContact CE2-NH2 3.25Å; W62-R84 HydrophobicContact CE3-CB 4.3Å; W62-R84 VanDerWaalsContact CE3-CD 3.42Å; W62-R84 HydrophobicContact CE3-CG 3.45Å; W62-R84 VanDerWaalsContact CE3-CG 3.45Å; W62-R84 VanDerWaalsContact CG-CZ 3.42Å; W62-R84 VanDerWaalsContact CG-NH1 3.26Å; W62-R84 HydrophobicContact CZ3-CG 3.8Å; W62-C86 HydrophobicContact CE3-CB 3.96Å; W62-C86 HydrophobicContact CH2-CB 4.2Å; W62-C86 HydrophobicContact CZ3-CB 3.7Å; W62-C92 HydrophobicContact CD2-CB 3.58Å; W62-C92 HydrophobicContact CE3-CB 4.13Å; W62-C92 HydrophobicContact CG-CB 4.04Å; W62-C92 HydrophobicContact CH2-CB 4.02Å; W62-C92 HydrophobicContact CZ2-CB 3.43Å; W62-C92 VanDerWaalsContact CZ2-CB 3.43Å; W62-C92 HydrophobicContact CZ3-CB 4.34Å; W62-V93 PolarHBondContact NE1-O 3.49Å; W62-G94 WeakPolarHBondContact CZ2-O 3.41Å |
| 63 | S | 86.4 | Confident | 79.6 | Confident | 49 Ų | 49 | 95.4 Ų | 95.4 | 34% | 0.343 | 50% | 0.504 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 161.8 | 165.3 | 83.1 | 0 | 0 | 0 | 0 | 110.6 | W65 K85 | S63-W65 PolarHBondContact O-N 3.44Å; S63-K85 WeakPolarHBondContact CB-O 3Å; S63-K85 PolarHBondContact N-O 2.97Å; S63-K85 PolarHBondContact OG-N 3.41Å |
| 64 | L | 89.4 | Confident | 81 | Confident | 163 Ų | 163 | 96 Ų | 96 | 85% | 0.853 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -54.8 | 144.5 | 164.8 | -67 | 173.8 | 0 | 0 | 0 | 110.1 | ||
| 65 | W | 92.9 | Very high | 82.4 | Confident | 74 Ų | 74 | 90.5 Ų | 90.5 | 28% | 0.28 | 48% | 0.48 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 140.5 | 172.6 | -74.1 | 107 | 0 | 0 | 0 | 110.8 | S63 R82 R84 E98 | S63-W65 PolarHBondContact O-N 3.44Å; W65-R82 HydrophobicContact CD2-CG 4.2Å; W65-R82 HydrophobicContact CE3-CB 4.39Å; W65-R82 HydrophobicContact CE3-CG 3.63Å; W65-R82 HydrophobicContact CZ3-CG 4.08Å; W65-R84 HydrophobicContact CD2-CB 4.03Å; W65-R84 HydrophobicContact CD2-CG 4.04Å; W65-R84 HydrophobicContact CE3-CB 3.7Å; W65-R84 HydrophobicContact CE3-CG 3.67Å; W65-R84 HydrophobicContact CH2-CG 3.69Å; W65-R84 VanDerWaalsContact CH2-NE 3.33Å; W65-R84 VanDerWaalsContact CZ2-CD 3.41Å; W65-R84 HydrophobicContact CZ2-CG 4.05Å; W65-R84 VanDerWaalsContact CZ2-CZ 3.44Å; W65-R84 HydrophobicContact CZ3-CB 4.03Å; W65-R84 HydrophobicContact CZ3-CG 3.49Å; W65-R84 VanDerWaalsContact CZ3-CG 3.49Å; W65-E98 HydrophobicContact CH2-CB 3.72Å; W65-E98 HydrophobicContact CZ2-CB 4.32Å; W65-E98 HydrophobicContact CZ3-CB 3.97Å |
| 66 | S | 94.4 | Very high | 83.9 | Confident | 56 Ų | 56 | 86.3 Ų | 86.3 | 39% | 0.392 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 165.3 | 167.3 | 76.5 | 0 | 0 | 0 | 0 | 110.9 | Q83 | S66-Q83 WeakPolarHBondContact CB-O 3.28Å; S66-Q83 PolarHBondContact N-O 2.82Å; S66-Q83 PolarHBondContact OG-N 3.1Å; S66-Q83 PolarHBondContact OG-O 2.6Å |
| 67 | Q | 96.8 | Very high | 85.4 | Confident | 183 Ų | 183 | 80.2 Ų | 80.2 | 86% | 0.855 | 43% | 0.431 | S | S | * | . | P | Polyproline II helix | trans | -59.2 | 152.2 | 162 | -66.9 | -174.9 | -15.6 | 0 | 0 | 110.2 | ||
| 68 | W | 96.8 | Very high | 87.3 | Confident | 72 Ų | 72 | 74 Ų | 74 | 27% | 0.273 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 140.4 | 173.1 | -70.4 | 103.8 | 0 | 0 | 0 | 110.6 | R80 R82 E98 K100 I190 | W68-R80 HydrophobicContact CD2-CG 4.47Å; W68-R80 HydrophobicContact CE3-CG 3.95Å; W68-R82 HydrophobicContact CD2-CB 4.1Å; W68-R82 HydrophobicContact CD2-CG 4.12Å; W68-R82 HydrophobicContact CE3-CB 3.79Å; W68-R82 HydrophobicContact CE3-CG 3.8Å; W68-R82 HydrophobicContact CH2-CG 3.64Å; W68-R82 HydrophobicContact CZ2-CG 4Å; W68-R82 HydrophobicContact CZ3-CB 4.03Å; W68-R82 HydrophobicContact CZ3-CG 3.55Å; W68-E98 HydrophobicContact CH2-CG 4.23Å; W68-E98 VanDerWaalsContact CH2-OE2 3.31Å; W68-E98 WeakPolarHBondContact CH2-OE2 3.45Å; W68-K100 HydrophobicContact CE3-CB 4.17Å; W68-K100 HydrophobicContact CH2-CB 3.44Å; W68-K100 VanDerWaalsContact CH2-CB 3.44Å; W68-K100 HydrophobicContact CH2-CD 4.26Å; W68-K100 HydrophobicContact CH2-CG 4.42Å; W68-K100 HydrophobicContact CZ2-CB 3.98Å; W68-K100 HydrophobicContact CZ2-CD 3.91Å; W68-K100 HydrophobicContact CZ3-CB 3.53Å; W68-I190 HydrophobicContact CH2-CD1 4.27Å |
| 69 | S | 97.2 | Very high | 89.2 | Confident | 32 Ų | 32 | 69.9 Ų | 69.9 | 22% | 0.224 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 167.3 | 169.3 | 77.1 | 0 | 0 | 0 | 0 | 111.2 | R80 F81 | S69-R80 WeakPolarHBondContact O-CB 3.37Å; S69-R80 WeakPolarHBondContact OG-CA 3.08Å; S69-R80 WeakPolarHBondContact OG-CB 3.14Å; S69-F81 WeakPolarHBondContact CB-O 2.87Å; S69-F81 PolarHBondContact N-O 3.35Å; S69-F81 WeakPolarHBondContact OG-CD1 2.98Å; S69-F81 PolarHBondContact OG-N 2.86Å; S69-F81 PolarHBondContact OG-O 2.84Å |
| 70 | M | 96.3 | Very high | 91 | Very high | 175 Ų | 175 | 68.8 Ų | 68.8 | 86% | 0.862 | 37% | 0.366 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 153 | 162.9 | -63 | -171.7 | 77.4 | 0 | 0 | 110.4 | ||
| 71 | C | 96.2 | Very high | 92.6 | Very high | 43 Ų | 43 | 72.4 Ų | 72.4 | 29% | 0.291 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 141.5 | 173.6 | -166.4 | 0 | 0 | 0 | 0 | 109.8 | R73 C102 | C71-R73 WeakPolarHBondContact CB-O 3.35Å; C71-R73 PolarHBondContact O-N 2.04Å; C71-R73 PolarHBondContact SG-O 3.37Å; C71-C102 WeakPolarHBondContact CA-SG 3.13Å; C71-C102 HydrophobicContact CB-CB 3.81Å; C71-C102 WeakPolarHBondContact CB-SG 3.35Å; C71-C102 WeakPolarHBondContact SG-CB 3.44Å; C71-C102 CovalentContact SG-SG 2.02Å; C71-C102 PolarHBondContact SG-SG 3.3Å |
| 72 | S | 95.3 | Very high | 93.6 | Very high | 43 Ų | 43 | 68.9 Ų | 68.9 | 30% | 0.301 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -63.4 | -14.1 | 179.9 | 63.1 | 0 | 0 | 0 | 0 | 113.8 | A79 F114 D165 | S72-A79 WeakPolarHBondContact CB-O 3.5Å; S72-A79 PolarHBondContact N-O 2.03Å; S72-A79 PolarHBondContact OG-N 2.64Å; S72-A79 PolarHBondContact OG-O 3.03Å; S72-F114 WeakPolarHBondContact O-CE2 2.96Å; S72-D165 WeakPolarHBondContact CB-O 3.26Å; S72-D165 PolarHBondContact OG-O 2.03Å |
| 73 | R | 91.6 | Very high | 94 | Very high | 39 Ų | 39 | 70.6 Ų | 70.6 | 15% | 0.147 | 37% | 0.368 | C | S | . | . | trans | -146 | 162.8 | 172.2 | 62.5 | 179.9 | 68.1 | 148 | 5.2 | 111.9 | C71 C75 T77 F114 G166 | C71-R73 WeakPolarHBondContact CB-O 3.35Å; C71-R73 PolarHBondContact O-N 2.04Å; C71-R73 PolarHBondContact SG-O 3.37Å; R73-C75 WeakPolarHBondContact CD-O 3.27Å; R73-C75 VanDerWaalsContact CG-O 3.24Å; R73-C75 WeakPolarHBondContact CG-O 3.15Å; R73-T77 VanDerWaalsContact CD-O 3.32Å; R73-T77 WeakPolarHBondContact CD-O 3.01Å; R73-T77 PolarHBondContact NE-O 3.13Å; R73-T77 PolarHBondContact NH1-O 3.31Å; R73-F114 HydrophobicContact CB-CD2 4.23Å; R73-F114 HydrophobicContact CB-CE2 4.24Å; R73-F114 VanDerWaalsContact CZ-CB 3.48Å; R73-G166 PolarHBondContact NH2-O 2.92Å | ||
| 74 | T | 91.8 | Very high | 94.3 | Very high | 130 Ų | 130 | 70.5 Ų | 70.5 | 80% | 0.798 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -98 | -11.4 | -178.1 | 52.7 | 0 | 0 | 0 | 0 | 113.9 | P105 | T74-P105 WeakPolarHBondContact O-CD 3.35Š|
| 75 | C | 91.8 | Very high | 94.3 | Very high | 33 Ų | 33 | 69 Ų | 69 | 22% | 0.223 | 35% | 0.347 | C | S | . | . | S | Bend | trans | -134.4 | 151.8 | 176.4 | 71.2 | 0 | 0 | 0 | 0 | 110.7 | R73 P105 C107 | R73-C75 WeakPolarHBondContact CD-O 3.27Å; R73-C75 VanDerWaalsContact CG-O 3.24Å; R73-C75 WeakPolarHBondContact CG-O 3.15Å; C75-P105 CarbonylContact C-O 3.26Å; C75-P105 WeakPolarHBondContact CA-O 2.99Å; C75-P105 VanDerWaalsContact CB-O 3.23Å; C75-P105 WeakPolarHBondContact CB-O 3.33Å; C75-C107 HydrophobicContact CB-CB 3.96Å; C75-C107 WeakPolarHBondContact CB-SG 3.37Å; C75-C107 PolarHBondContact O-SG 2.91Å; C75-C107 VanDerWaalsContact SG-CA 3.6Å; C75-C107 WeakPolarHBondContact SG-CB 3.46Å; C75-C107 CovalentContact SG-SG 2.05Å; C75-C107 PolarHBondContact SG-SG 3.07Å |
| 76 | G | 90.7 | Very high | 93.9 | Very high | 21 Ų | 21 | 67.2 Ų | 67.2 | 22% | 0.216 | 35% | 0.345 | C | S | . | . | S | Bend | trans | 64.3 | -164.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G104 P105 | G76-G104 PolarHBondContact O-N 3.12Å; G76-P105 PolarHBondContact N-O 3.07Å |
| 77 | T | 92.5 | Very high | 92.9 | Very high | 50 Ų | 50 | 69.7 Ų | 69.7 | 31% | 0.307 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 125.4 | -179.9 | -47.4 | 0 | 0 | 0 | 0 | 110.7 | R73 A101 C102 L176 I185 | R73-T77 VanDerWaalsContact CD-O 3.32Å; R73-T77 WeakPolarHBondContact CD-O 3.01Å; R73-T77 PolarHBondContact NE-O 3.13Å; R73-T77 PolarHBondContact NH1-O 3.31Å; T77-A101 HydrophobicContact CG2-CB 4.46Å; T77-C102 CarbonylContact C-O 3.51Å; T77-C102 WeakPolarHBondContact CA-O 3.27Å; T77-L176 HydrophobicContact CG2-CD1 4.19Å; T77-I185 HydrophobicContact CG2-CD1 4.07Å |
| 78 | G | 93.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | -169.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A101 C102 | G78-A101 WeakPolarHBondContact O-CA 3.01Å; G78-C102 PolarHBondContact N-O 3.34Å; G78-C102 PolarHBondContact O-N 3.06Å; G78-C102 PolarHBondContact O-SG 3.16Å |
| 79 | A | 96.4 | Very high | 89.7 | Confident | 4 Ų | 4 | 65.9 Ų | 65.9 | 3% | 0.033 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 146.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | S72 G166 I191 | S72-A79 WeakPolarHBondContact CB-O 3.5Å; S72-A79 PolarHBondContact N-O 2.03Å; S72-A79 PolarHBondContact OG-N 2.64Å; S72-A79 PolarHBondContact OG-O 3.03Å; A79-G166 VanDerWaalsContact CB-CA 3.45Å; A79-I191 HydrophobicContact CB-CD1 3.61Å |
| 80 | R | 96.9 | Very high | 88 | Confident | 78 Ų | 78 | 68.8 Ų | 68.8 | 29% | 0.294 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 153.7 | 167 | 57.5 | -177.6 | 178.3 | 175.3 | -6.1 | 108.8 | W68 S69 H99 K100 C102 | W68-R80 HydrophobicContact CD2-CG 4.47Å; W68-R80 HydrophobicContact CE3-CG 3.95Å; S69-R80 WeakPolarHBondContact O-CB 3.37Å; S69-R80 WeakPolarHBondContact OG-CA 3.08Å; S69-R80 WeakPolarHBondContact OG-CB 3.14Å; R80-H99 CarbonylContact O-C 3.53Å; R80-H99 WeakPolarHBondContact O-CA 3.42Å; R80-K100 HydrophobicContact CG-CB 4.31Å; R80-K100 WeakPolarHBondContact CG-O 3.41Å; R80-K100 PolarHBondContact N-O 3.31Å; R80-K100 PolarHBondContact O-N 2.88Å; R80-C102 HydrophobicContact CG-CB 4.34Å |
| 81 | F | 96.8 | Very high | 86.7 | Confident | 83 Ų | 83 | 64.1 Ų | 64.1 | 36% | 0.364 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 159.3 | -177.9 | 71.4 | -87.2 | 0 | 0 | 0 | 111.5 | S69 Q83 V97 E98 | S69-F81 WeakPolarHBondContact CB-O 2.87Å; S69-F81 PolarHBondContact N-O 3.35Å; S69-F81 WeakPolarHBondContact OG-CD1 2.98Å; S69-F81 PolarHBondContact OG-N 2.86Å; S69-F81 PolarHBondContact OG-O 2.84Å; F81-Q83 HydrophobicContact CD2-CG 3.88Å; F81-Q83 HydrophobicContact CE2-CG 4.02Å; F81-V97 HydrophobicContact CB-CG1 4.24Å; F81-V97 HydrophobicContact CD2-CG1 4.38Å; F81-E98 CarbonylContact C-O 3.4Å; F81-E98 WeakPolarHBondContact CA-O 3.46Å |
| 82 | R | 96.2 | Very high | 85.9 | Confident | 55 Ų | 55 | 63.2 Ų | 63.2 | 21% | 0.208 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 157.4 | 166.7 | 64.3 | 179.8 | 180 | 167.7 | -1.7 | 109 | W65 W68 V97 E98 | W65-R82 HydrophobicContact CD2-CG 4.2Å; W65-R82 HydrophobicContact CE3-CB 4.39Å; W65-R82 HydrophobicContact CE3-CG 3.63Å; W65-R82 HydrophobicContact CZ3-CG 4.08Å; W68-R82 HydrophobicContact CD2-CB 4.1Å; W68-R82 HydrophobicContact CD2-CG 4.12Å; W68-R82 HydrophobicContact CE3-CB 3.79Å; W68-R82 HydrophobicContact CE3-CG 3.8Å; W68-R82 HydrophobicContact CH2-CG 3.64Å; W68-R82 HydrophobicContact CZ2-CG 4Å; W68-R82 HydrophobicContact CZ3-CB 4.03Å; W68-R82 HydrophobicContact CZ3-CG 3.55Å; R82-V97 WeakPolarHBondContact O-CA 3.17Å; R82-E98 HydrophobicContact CG-CB 4.21Å; R82-E98 IonicContact CZ-OE2 2.66Å; R82-E98 PolarHBondContact N-O 3.13Å; R82-E98 IonicContact NE-OE2 3.9Å; R82-E98 PolarHBondContact NE-OE2 3.14Å; R82-E98 IonicContact NH2-OE1 3.72Å; R82-E98 IonicContact NH2-OE2 2.73Å; R82-E98 PolarHBondContact NH2-OE2 2.86Å; R82-E98 PolarHBondContact O-N 3.31Å |
| 83 | Q | 94.7 | Very high | 85.2 | Confident | 100 Ų | 100 | 67.4 Ų | 67.4 | 47% | 0.467 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 153.2 | -174.9 | -57.8 | -174.2 | -31.2 | 0 | 0 | 110.7 | S66 F81 S96 V97 | S66-Q83 WeakPolarHBondContact CB-O 3.28Å; S66-Q83 PolarHBondContact N-O 2.82Å; S66-Q83 PolarHBondContact OG-N 3.1Å; S66-Q83 PolarHBondContact OG-O 2.6Å; F81-Q83 HydrophobicContact CD2-CG 3.88Å; F81-Q83 HydrophobicContact CE2-CG 4.02Å; Q83-S96 CarbonylContact C-O 3.53Å; Q83-S96 VanDerWaalsContact CA-O 3.26Å; Q83-S96 WeakPolarHBondContact CA-O 3.35Å; Q83-V97 HydrophobicContact CG-CG1 4.24Å; Q83-V97 HydrophobicContact CG-CG2 4.06Å |
| 84 | R | 92.8 | Very high | 84.7 | Confident | 46 Ų | 46 | 68.2 Ų | 68.2 | 17% | 0.174 | 38% | 0.382 | C | S | . | . | trans | -138.8 | 157.2 | 170.2 | 60.2 | 177.9 | 177.7 | 174.9 | 3 | 108.4 | W62 W65 G95 S96 | W62-R84 VanDerWaalsContact CD1-CZ 3.49Å; W62-R84 HydrophobicContact CD2-CG 4.11Å; W62-R84 VanDerWaalsContact CE2-NH2 3.25Å; W62-R84 HydrophobicContact CE3-CB 4.3Å; W62-R84 VanDerWaalsContact CE3-CD 3.42Å; W62-R84 HydrophobicContact CE3-CG 3.45Å; W62-R84 VanDerWaalsContact CE3-CG 3.45Å; W62-R84 VanDerWaalsContact CG-CZ 3.42Å; W62-R84 VanDerWaalsContact CG-NH1 3.26Å; W62-R84 HydrophobicContact CZ3-CG 3.8Å; W65-R84 HydrophobicContact CD2-CB 4.03Å; W65-R84 HydrophobicContact CD2-CG 4.04Å; W65-R84 HydrophobicContact CE3-CB 3.7Å; W65-R84 HydrophobicContact CE3-CG 3.67Å; W65-R84 HydrophobicContact CH2-CG 3.69Å; W65-R84 VanDerWaalsContact CH2-NE 3.33Å; W65-R84 VanDerWaalsContact CZ2-CD 3.41Å; W65-R84 HydrophobicContact CZ2-CG 4.05Å; W65-R84 VanDerWaalsContact CZ2-CZ 3.44Å; W65-R84 HydrophobicContact CZ3-CB 4.03Å; W65-R84 HydrophobicContact CZ3-CG 3.49Å; W65-R84 VanDerWaalsContact CZ3-CG 3.49Å; R84-G95 PolarHBondContact NE-O 2.82Å; R84-G95 PolarHBondContact NH2-O 3.46Å; R84-S96 PolarHBondContact N-O 3.49Å; R84-S96 WeakPolarHBondContact O-CB 3.5Å | ||
| 85 | K | 88.1 | Confident | 84.4 | Confident | 132 Ų | 132 | 64.1 Ų | 64.1 | 57% | 0.574 | 37% | 0.365 | S | S | * | . | trans | -109.8 | 153.3 | -179.4 | -57.4 | -172.1 | 178.5 | -179.3 | 0 | 111 | S63 D87 | S63-K85 WeakPolarHBondContact CB-O 3Å; S63-K85 PolarHBondContact N-O 2.97Å; S63-K85 PolarHBondContact OG-N 3.41Å; K85-D87 VanDerWaalsContact CB-CG 3.45Å; K85-D87 WeakPolarHBondContact CB-OD1 2.73Å; K85-D87 WeakPolarHBondContact CB-OD2 3.46Å; K85-D87 WeakPolarHBondContact CD-OD2 3.27Å | ||
| 86 | C | 84.7 | Confident | 84.4 | Confident | 37 Ų | 37 | 65.5 Ų | 65.5 | 25% | 0.25 | 38% | 0.375 | C | S | . | . | trans | -116.2 | 78.7 | 176.2 | -179.1 | 0 | 0 | 0 | 0 | 107.1 | W62 C92 | W62-C86 HydrophobicContact CE3-CB 3.96Å; W62-C86 HydrophobicContact CH2-CB 4.2Å; W62-C86 HydrophobicContact CZ3-CB 3.7Å; C86-C92 VanDerWaalsContact CA-SG 3.59Å; C86-C92 HydrophobicContact CB-CB 3.8Å; C86-C92 WeakPolarHBondContact CB-SG 3.29Å; C86-C92 WeakPolarHBondContact SG-CB 3.44Å; C86-C92 PolarHBondContact SG-N 2.98Å; C86-C92 CovalentContact SG-SG 2.03Å; C86-C92 PolarHBondContact SG-SG 3.06Å | ||
| 87 | D | 73.4 | Confident | 84.5 | Confident | 108 Ų | 108 | 66.9 Ų | 66.9 | 58% | 0.578 | 38% | 0.379 | S | S | * | . | trans | -105.4 | -20 | -162.5 | -67.3 | -13.7 | 0 | 0 | 0 | 113.6 | K85 | K85-D87 VanDerWaalsContact CB-CG 3.45Å; K85-D87 WeakPolarHBondContact CB-OD1 2.73Å; K85-D87 WeakPolarHBondContact CB-OD2 3.46Å; K85-D87 WeakPolarHBondContact CD-OD2 3.27Å | ||
| 88 | N | 62.8 | Low | 84.7 | Confident | 139 Ų | 139 | 66.7 Ų | 66.7 | 74% | 0.743 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -169.7 | 111.7 | 177 | -146.9 | 21.3 | 0 | 0 | 0 | 115.2 | ||
| 89 | P | 64.1 | Low | 84.8 | Confident | 35 Ų | 35 | 67.5 Ų | 67.5 | 23% | 0.227 | 38% | 0.378 | C | S | . | . | S | Bend | cis | -74.2 | 158.9 | -8.2 | 20.3 | -19.7 | 0 | 0 | 0 | 112.7 | V58 G60 N91 | V58-P89 HydrophobicContact CB-CG 3.78Å; V58-P89 HydrophobicContact CG1-CG 3.54Å; V58-P89 WeakPolarHBondContact O-CG 3.39Å; G60-P89 WeakPolarHBondContact CA-O 3.43Å; P89-N91 PolarHBondContact O-N 2.02Å; P89-N91 VanDerWaalsContact O-N 3.12Å |
| 90 | P | 60.7 | Low | 84.8 | Confident | 93 Ų | 93 | 70.3 Ų | 70.3 | 60% | 0.604 | 39% | 0.39 | S | S | * | . | S | Bend | trans | -84.1 | 80.7 | 178.6 | 32.2 | -33.4 | 0 | 0 | 0 | 110.8 | ||
| 91 | N | 70.1 | Confident | 84.8 | Confident | 77 Ų | 77 | 67.3 Ų | 67.3 | 41% | 0.412 | 38% | 0.382 | S | S | . | . | trans | -156.2 | 47.5 | 174.7 | -80.6 | -40.6 | 0 | 0 | 0 | 111.4 | G60 P89 | G60-N91 PolarHBondContact N-O 2.81Å; P89-N91 PolarHBondContact O-N 2.02Å; P89-N91 VanDerWaalsContact O-N 3.12Å | ||
| 92 | C | 79.5 | Confident | 84.7 | Confident | 24 Ų | 24 | 64 Ų | 64 | 16% | 0.162 | 37% | 0.369 | C | S | . | . | trans | -91.2 | 127.6 | -173.7 | -42.1 | 0 | 0 | 0 | 0 | 112.1 | G60 W62 C86 | G60-C92 PolarHBondContact O-SG 3.25Å; W62-C92 HydrophobicContact CD2-CB 3.58Å; W62-C92 HydrophobicContact CE3-CB 4.13Å; W62-C92 HydrophobicContact CG-CB 4.04Å; W62-C92 HydrophobicContact CH2-CB 4.02Å; W62-C92 HydrophobicContact CZ2-CB 3.43Å; W62-C92 VanDerWaalsContact CZ2-CB 3.43Å; W62-C92 HydrophobicContact CZ3-CB 4.34Å; C86-C92 VanDerWaalsContact CA-SG 3.59Å; C86-C92 HydrophobicContact CB-CB 3.8Å; C86-C92 WeakPolarHBondContact CB-SG 3.29Å; C86-C92 WeakPolarHBondContact SG-CB 3.44Å; C86-C92 PolarHBondContact SG-N 2.98Å; C86-C92 CovalentContact SG-SG 2.03Å; C86-C92 PolarHBondContact SG-SG 3.06Å | ||
| 93 | V | 79.1 | Confident | 84.5 | Confident | 131 Ų | 131 | 69.7 Ų | 69.7 | 79% | 0.794 | 40% | 0.398 | S | S | * | . | trans | -82.1 | 132 | 174.6 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | W62 | W62-V93 PolarHBondContact NE1-O 3.49Š| ||
| 94 | G | 82.4 | Confident | 84.3 | Confident | 57 Ų | 57 | 66.3 Ų | 66.3 | 59% | 0.588 | 39% | 0.39 | S | S | * | . | S | Bend | trans | 111.8 | -176.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | W62 | W62-G94 WeakPolarHBondContact CZ2-O 3.41Š|
| 95 | G | 85.8 | Confident | 84.3 | Confident | 44 Ų | 44 | 68.4 Ų | 68.4 | 45% | 0.454 | 41% | 0.409 | S | S | . | . | trans | -79.8 | 143 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R84 | R84-G95 PolarHBondContact NE-O 2.82Å; R84-G95 PolarHBondContact NH2-O 3.46Å | ||
| 96 | S | 90.9 | Very high | 84.4 | Confident | 61 Ų | 61 | 67.9 Ų | 67.9 | 43% | 0.427 | 42% | 0.42 | S | S | . | . | S | Bend | trans | -82.1 | -15.5 | 168.5 | 56.3 | 0 | 0 | 0 | 0 | 112.9 | Q83 R84 | Q83-S96 CarbonylContact C-O 3.53Å; Q83-S96 VanDerWaalsContact CA-O 3.26Å; Q83-S96 WeakPolarHBondContact CA-O 3.35Å; R84-S96 PolarHBondContact N-O 3.49Å; R84-S96 WeakPolarHBondContact O-CB 3.5Å |
| 97 | V | 93.9 | Very high | 84.6 | Confident | 50 Ų | 50 | 69 Ų | 69 | 30% | 0.303 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 133.6 | 178.8 | -171.1 | 0 | 0 | 0 | 0 | 109.1 | F81 R82 Q83 H99 | F81-V97 HydrophobicContact CB-CG1 4.24Å; F81-V97 HydrophobicContact CD2-CG1 4.38Å; R82-V97 WeakPolarHBondContact O-CA 3.17Å; Q83-V97 HydrophobicContact CG-CG1 4.24Å; Q83-V97 HydrophobicContact CG-CG2 4.06Å; V97-H99 VanDerWaalsContact CG1-CE1 3.46Å; V97-H99 WeakPolarHBondContact CG1-CE1 3.34Å |
| 98 | E | 95.4 | Very high | 85.6 | Confident | 47 Ų | 47 | 68.1 Ų | 68.1 | 22% | 0.22 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 141.7 | 174.6 | -171.8 | -176.3 | -118.1 | 0 | 0 | 109.8 | W65 W68 F81 R82 I190 | W65-E98 HydrophobicContact CH2-CB 3.72Å; W65-E98 HydrophobicContact CZ2-CB 4.32Å; W65-E98 HydrophobicContact CZ3-CB 3.97Å; W68-E98 HydrophobicContact CH2-CG 4.23Å; W68-E98 VanDerWaalsContact CH2-OE2 3.31Å; W68-E98 WeakPolarHBondContact CH2-OE2 3.45Å; F81-E98 CarbonylContact C-O 3.4Å; F81-E98 WeakPolarHBondContact CA-O 3.46Å; R82-E98 HydrophobicContact CG-CB 4.21Å; R82-E98 IonicContact CZ-OE2 2.66Å; R82-E98 PolarHBondContact N-O 3.13Å; R82-E98 IonicContact NE-OE2 3.9Å; R82-E98 PolarHBondContact NE-OE2 3.14Å; R82-E98 IonicContact NH2-OE1 3.72Å; R82-E98 IonicContact NH2-OE2 2.73Å; R82-E98 PolarHBondContact NH2-OE2 2.86Å; R82-E98 PolarHBondContact O-N 3.31Å; E98-I190 HydrophobicContact CG-CD1 4.4Å; E98-I190 HydrophobicContact CG-CG2 4.02Å |
| 99 | H | 97 | Very high | 86.9 | Confident | 16 Ų | 16 | 71.9 Ų | 71.9 | 7% | 0.074 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 136.9 | -180 | -61.9 | 78.5 | 0 | 0 | 0 | 110.1 | R80 V97 D165 V178 I191 | R80-H99 CarbonylContact O-C 3.53Å; R80-H99 WeakPolarHBondContact O-CA 3.42Å; V97-H99 VanDerWaalsContact CG1-CE1 3.46Å; V97-H99 WeakPolarHBondContact CG1-CE1 3.34Å; H99-D165 IonicContact NE2-OD2 3.14Å; H99-V178 HydrophobicContact CB-CG1 4.19Å; H99-V178 HydrophobicContact CB-CG2 4.31Å; H99-V178 VanDerWaalsContact CE1-CG1 3.49Å; H99-V178 WeakPolarHBondContact CE1-CG1 3.33Å; H99-V178 VanDerWaalsContact CG-CG1 3.48Å; H99-V178 WeakPolarHBondContact ND1-CG1 3.32Å; H99-I191 HydrophobicContact CB-CB 4.12Å; H99-I191 HydrophobicContact CB-CD1 4.16Å; H99-I191 PolarHBondContact O-N 3.5Å |
| 100 | K | 96.1 | Very high | 87.8 | Confident | 63 Ų | 63 | 74.3 Ų | 74.3 | 27% | 0.274 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 139.8 | 177.7 | -172.5 | 168.3 | -172.4 | 165.9 | 0 | 109.8 | W68 R80 G189 I190 | W68-K100 HydrophobicContact CE3-CB 4.17Å; W68-K100 HydrophobicContact CH2-CB 3.44Å; W68-K100 VanDerWaalsContact CH2-CB 3.44Å; W68-K100 HydrophobicContact CH2-CD 4.26Å; W68-K100 HydrophobicContact CH2-CG 4.42Å; W68-K100 HydrophobicContact CZ2-CB 3.98Å; W68-K100 HydrophobicContact CZ2-CD 3.91Å; W68-K100 HydrophobicContact CZ3-CB 3.53Å; R80-K100 HydrophobicContact CG-CB 4.31Å; R80-K100 WeakPolarHBondContact CG-O 3.41Å; R80-K100 PolarHBondContact N-O 3.31Å; R80-K100 PolarHBondContact O-N 2.88Å; K100-G189 WeakPolarHBondContact CA-O 3.5Å; K100-G189 WeakPolarHBondContact CG-O 2.86Å; K100-I190 HydrophobicContact CB-CD1 4.01Å; K100-I190 HydrophobicContact CD-CD1 3.95Å; K100-I190 HydrophobicContact CG-CD1 3.97Å |
| 101 | A | 95.7 | Very high | 89.1 | Confident | 15 Ų | 15 | 73.3 Ų | 73.3 | 12% | 0.124 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 142.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | T77 G78 I185 G189 I191 | T77-A101 HydrophobicContact CG2-CB 4.46Å; G78-A101 WeakPolarHBondContact O-CA 3.01Å; A101-I185 HydrophobicContact CB-CD1 3.94Å; A101-I185 HydrophobicContact CB-CG1 4.39Å; A101-I185 HydrophobicContact CB-CG2 3.8Å; A101-G189 PolarHBondContact N-O 3.4Å; A101-I191 HydrophobicContact CB-CG1 4.36Å |
| 102 | C | 94.6 | Very high | 90 | Very high | 13 Ų | 13 | 71.8 Ų | 71.8 | 9% | 0.088 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 141.2 | 172.9 | 41.2 | 0 | 0 | 0 | 0 | 109.1 | C71 T77 G78 R80 | C71-C102 WeakPolarHBondContact CA-SG 3.13Å; C71-C102 HydrophobicContact CB-CB 3.81Å; C71-C102 WeakPolarHBondContact CB-SG 3.35Å; C71-C102 WeakPolarHBondContact SG-CB 3.44Å; C71-C102 CovalentContact SG-SG 2.02Å; C71-C102 PolarHBondContact SG-SG 3.3Å; T77-C102 CarbonylContact C-O 3.51Å; T77-C102 WeakPolarHBondContact CA-O 3.27Å; G78-C102 PolarHBondContact N-O 3.34Å; G78-C102 PolarHBondContact O-N 3.06Å; G78-C102 PolarHBondContact O-SG 3.16Å; R80-C102 HydrophobicContact CG-CB 4.34Å |
| 103 | E | 92.9 | Very high | 90.5 | Very high | 175 Ų | 175 | 74.5 Ų | 74.5 | 82% | 0.818 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 122.5 | -178.3 | -66.3 | -178.9 | 178.8 | 0 | 0 | 109.3 | ||
| 104 | G | 90.6 | Very high | 91.2 | Very high | 30 Ų | 30 | 69.7 Ų | 69.7 | 31% | 0.309 | 44% | 0.442 | S | S | . | . | trans | -101.6 | 176.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G76 | G76-G104 PolarHBondContact O-N 3.12Š| ||
| 105 | P | 92.9 | Very high | 91.7 | Very high | 89 Ų | 89 | 67.4 Ų | 67.4 | 58% | 0.578 | 42% | 0.415 | S | S | * | . | S | Bend | trans | -55.4 | 152.6 | 169.7 | 25.9 | -36.1 | 0 | 0 | 0 | 111.1 | T74 C75 G76 C107 | T74-P105 WeakPolarHBondContact O-CD 3.35Å; C75-P105 CarbonylContact C-O 3.26Å; C75-P105 WeakPolarHBondContact CA-O 2.99Å; C75-P105 VanDerWaalsContact CB-O 3.23Å; C75-P105 WeakPolarHBondContact CB-O 3.33Å; G76-P105 PolarHBondContact N-O 3.07Å; P105-C107 PolarHBondContact O-N 2.93Å |
| 106 | P | 90.4 | Very high | 92 | Very high | 121 Ų | 121 | 66.7 Ų | 66.7 | 79% | 0.786 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 137.5 | 176.7 | 24.1 | -32.6 | 0 | 0 | 0 | 110.8 | ||
| 107 | C | 89.2 | Confident | 92.1 | Very high | 61 Ų | 61 | 67.9 Ų | 67.9 | 41% | 0.412 | 40% | 0.4 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 140.9 | 177.9 | -58.8 | 0 | 0 | 0 | 0 | 111 | C75 P105 V111 | C75-C107 HydrophobicContact CB-CB 3.96Å; C75-C107 WeakPolarHBondContact CB-SG 3.37Å; C75-C107 PolarHBondContact O-SG 2.91Å; C75-C107 VanDerWaalsContact SG-CA 3.6Å; C75-C107 WeakPolarHBondContact SG-CB 3.46Å; C75-C107 CovalentContact SG-SG 2.05Å; C75-C107 PolarHBondContact SG-SG 3.07Å; P105-C107 PolarHBondContact O-N 2.93Å; C107-V111 HydrophobicContact CB-CG2 4Å |
| 108 | S | 93.3 | Very high | 92 | Very high | 90 Ų | 90 | 66.1 Ų | 66.1 | 63% | 0.629 | 39% | 0.388 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 143.7 | 177.6 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | G110 V111 | S108-G110 PolarHBondContact O-N 3.41Å; S108-V111 WeakPolarHBondContact O-CG2 3.49Å; S108-V111 PolarHBondContact O-N 2.95Å |
| 109 | K | 89.8 | Confident | 91.8 | Very high | 217 Ų | 217 | 63.9 Ų | 63.9 | 94% | 0.943 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | 136.8 | 175.4 | -63.7 | -176.9 | -178 | 179.9 | 0 | 110 | ||
| 110 | G | 84.1 | Confident | 91.4 | Very high | 86 Ų | 86 | 66.1 Ų | 66.1 | 89% | 0.887 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.3 | -1.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | S108 | S108-G110 PolarHBondContact O-N 3.41Š|
| 111 | V | 86.5 | Confident | 90.8 | Very high | 72 Ų | 72 | 65.8 Ų | 65.8 | 44% | 0.436 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -79.2 | 141 | 167.8 | -57.2 | 0 | 0 | 0 | 0 | 110.4 | C107 S108 | C107-V111 HydrophobicContact CB-CG2 4Å; S108-V111 WeakPolarHBondContact O-CG2 3.49Å; S108-V111 PolarHBondContact O-N 2.95Å |
| 112 | P | 89.2 | Confident | 89.5 | Confident | 45 Ų | 45 | 69 Ų | 69 | 29% | 0.292 | 41% | 0.406 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 147.7 | 173.7 | -20.8 | 31.4 | 0 | 0 | 0 | 111.1 | D116 Q117 | P112-D116 HydrophobicContact CB-CB 3.87Å; P112-Q117 HydrophobicContact CB-CG 4.12Å; P112-Q117 PolarHBondContact O-NE2 2.93Å |
| 113 | T | 91.3 | Very high | 88 | Confident | 81 Ų | 81 | 70.7 Ų | 70.7 | 50% | 0.497 | 41% | 0.413 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 159.2 | 175.7 | 72.5 | 0 | 0 | 0 | 0 | 110.3 | R115 D116 Q117 | T113-R115 PolarHBondContact O-N 3.17Å; T113-R115 VanDerWaalsContact O-N 3.11Å; T113-R115 PolarHBondContact OG1-N 3.45Å; T113-D116 WeakPolarHBondContact CB-OD2 3.2Å; T113-D116 WeakPolarHBondContact CG2-OD2 3.28Å; T113-D116 PolarHBondContact N-OD2 2.91Å; T113-D116 PolarHBondContact O-N 3.38Å; T113-D116 PolarHBondContact OG1-N 3.06Å; T113-D116 VanDerWaalsContact OG1-N 3.12Å; T113-D116 PolarHBondContact OG1-OD2 2.91Å; T113-Q117 WeakPolarHBondContact O-CG 3.24Å; T113-Q117 PolarHBondContact O-N 2.82Å |
| 114 | F | 92.8 | Very high | 86.2 | Confident | 31 Ų | 31 | 72 Ų | 72 | 14% | 0.136 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -58.4 | -27.1 | 177 | -173.6 | -108.7 | 0 | 0 | 0 | 113.3 | S72 R73 Q118 L164 T167 | S72-F114 WeakPolarHBondContact O-CE2 2.96Å; R73-F114 HydrophobicContact CB-CD2 4.23Å; R73-F114 HydrophobicContact CB-CE2 4.24Å; R73-F114 VanDerWaalsContact CZ-CB 3.48Å; F114-Q118 PolarHBondContact O-NE2 3.28Å; F114-Q118 VanDerWaalsContact O-NE2 3.08Å; F114-L164 HydrophobicContact CE1-CB 3.84Å; F114-L164 HydrophobicContact CE1-CD1 4.47Å; F114-L164 HydrophobicContact CZ-CB 4.03Å; F114-L164 HydrophobicContact CZ-CD1 4Å; F114-T167 HydrophobicContact CD1-CG2 4.31Å; F114-T167 VanDerWaalsContact CD1-OG1 3.24Å; F114-T167 WeakPolarHBondContact CD1-OG1 3.46Å; F114-T167 VanDerWaalsContact CE1-OG1 3.27Å; F114-T167 WeakPolarHBondContact CE1-OG1 3.35Å |
| 115 | R | 93.6 | Very high | 84.6 | Confident | 9 Ų | 9 | 78.9 Ų | 78.9 | 3% | 0.034 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -76.1 | -41.3 | 174.5 | -162.6 | -175.1 | -83.4 | -105.1 | -1 | 111.4 | T113 Q117 Q118 C119 A136 P143 A145 L146 V163 T167 P168 | T113-R115 PolarHBondContact O-N 3.17Å; T113-R115 VanDerWaalsContact O-N 3.11Å; T113-R115 PolarHBondContact OG1-N 3.45Å; R115-Q117 VanDerWaalsContact C-N 3.31Å; R115-Q117 PolarHBondContact O-N 2.89Å; R115-Q118 WeakPolarHBondContact O-CB 3.49Å; R115-Q118 PolarHBondContact O-N 2.03Å; R115-Q118 VanDerWaalsContact O-N 3.17Å; R115-C119 PolarHBondContact O-N 3.45Å; R115-A136 HydrophobicContact CB-CB 3.9Å; R115-A136 VanDerWaalsContact CD-CB 3.43Å; R115-A136 HydrophobicContact CG-CB 3.39Å; R115-P143 PolarHBondContact NH1-O 3.46Å; R115-P143 PolarHBondContact NH2-O 3.15Å; R115-A145 PolarHBondContact NH1-O 2.94Å; R115-L146 HydrophobicContact CG-CD1 4.04Å; R115-V163 HydrophobicContact CG-CG1 4.43Å; R115-T167 HydrophobicContact CB-CG2 3.76Å; R115-T167 HydrophobicContact CG-CG2 3.91Å; R115-P168 PolarHBondContact NE-O 3.4Å; R115-P168 PolarHBondContact NH2-O 2.92Å |
| 116 | D | 91.8 | Very high | 83 | Confident | 28 Ų | 28 | 78 Ų | 78 | 15% | 0.15 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -63.7 | -37.7 | 174.6 | -61.7 | -45.1 | 0 | 0 | 0 | 112.1 | P112 T113 Q118 C119 Q120 T135 A136 | P112-D116 HydrophobicContact CB-CB 3.87Å; T113-D116 WeakPolarHBondContact CB-OD2 3.2Å; T113-D116 WeakPolarHBondContact CG2-OD2 3.28Å; T113-D116 PolarHBondContact N-OD2 2.91Å; T113-D116 PolarHBondContact O-N 3.38Å; T113-D116 PolarHBondContact OG1-N 3.06Å; T113-D116 VanDerWaalsContact OG1-N 3.12Å; T113-D116 PolarHBondContact OG1-OD2 2.91Å; D116-Q118 PolarHBondContact O-N 3.42Å; D116-C119 WeakPolarHBondContact O-CB 3.31Å; D116-C119 PolarHBondContact O-N 3.01Å; D116-C119 VanDerWaalsContact O-N 3.12Å; D116-Q120 VanDerWaalsContact O-CG 3.29Å; D116-Q120 WeakPolarHBondContact O-CG 3.04Å; D116-Q120 PolarHBondContact O-N 2.84Å; D116-T135 WeakPolarHBondContact OD1-CA 3.27Å; D116-A136 WeakPolarHBondContact OD1-CB 3.41Å; D116-A136 PolarHBondContact OD1-N 2.79Å |
| 117 | Q | 92.3 | Very high | 81.3 | Confident | 86 Ų | 86 | 76.1 Ų | 76.1 | 40% | 0.402 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.4 | -36.5 | 174.9 | -70.8 | 173.8 | 1.4 | 0 | 0 | 111.7 | P112 T113 R115 Q120 S121 | P112-Q117 HydrophobicContact CB-CG 4.12Å; P112-Q117 PolarHBondContact O-NE2 2.93Å; T113-Q117 WeakPolarHBondContact O-CG 3.24Å; T113-Q117 PolarHBondContact O-N 2.82Å; R115-Q117 VanDerWaalsContact C-N 3.31Å; R115-Q117 PolarHBondContact O-N 2.89Å; Q117-Q120 PolarHBondContact O-N 2.83Å; Q117-S121 WeakPolarHBondContact O-CB 3.2Å; Q117-S121 PolarHBondContact O-N 3.29Å |
| 118 | Q | 93.3 | Very high | 79.8 | Confident | 14 Ų | 14 | 80.8 Ų | 80.8 | 7% | 0.065 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -66 | -44.6 | 174.7 | -69.5 | 168.9 | 65.3 | 0 | 0 | 111.2 | F114 R115 D116 Q120 S121 H122 L146 L164 T167 | F114-Q118 PolarHBondContact O-NE2 3.28Å; F114-Q118 VanDerWaalsContact O-NE2 3.08Å; R115-Q118 WeakPolarHBondContact O-CB 3.49Å; R115-Q118 PolarHBondContact O-N 2.03Å; R115-Q118 VanDerWaalsContact O-N 3.17Å; D116-Q118 PolarHBondContact O-N 3.42Å; Q118-Q120 VanDerWaalsContact C-N 3.33Å; Q118-Q120 PolarHBondContact O-N 3.15Å; Q118-S121 PolarHBondContact O-N 2.82Å; Q118-S121 PolarHBondContact O-OG 2.76Å; Q118-H122 PolarHBondContact O-N 3.19Å; Q118-L146 HydrophobicContact CB-CD1 3.9Å; Q118-L146 HydrophobicContact CB-CD2 3.9Å; Q118-L164 HydrophobicContact CG-CD1 4.02Å; Q118-L164 HydrophobicContact CG-CG 4.3Å; Q118-T167 PolarHBondContact NE2-OG1 3.31Å |
| 119 | C | 91 | Very high | 77.9 | Confident | 0 Ų | 0 | 85.5 Ų | 85.5 | 0% | 0 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -58.5 | -43.6 | 172.7 | -65.4 | 0 | 0 | 0 | 0 | 112.2 | R115 D116 S121 H122 W134 A136 C148 | R115-C119 PolarHBondContact O-N 3.45Å; D116-C119 WeakPolarHBondContact O-CB 3.31Å; D116-C119 PolarHBondContact O-N 3.01Å; D116-C119 VanDerWaalsContact O-N 3.12Å; C119-S121 VanDerWaalsContact C-N 3.31Å; C119-S121 PolarHBondContact O-N 2.74Å; C119-H122 PolarHBondContact O-N 2.9Å; C119-W134 HydrophobicContact CB-CB 4.1Å; C119-A136 VanDerWaalsContact SG-CA 3.59Å; C119-C148 WeakPolarHBondContact CA-SG 3.19Å; C119-C148 HydrophobicContact CB-CB 3.74Å; C119-C148 WeakPolarHBondContact CB-SG 3.43Å; C119-C148 WeakPolarHBondContact SG-CB 3.31Å; C119-C148 CovalentContact SG-SG 2.03Å; C119-C148 PolarHBondContact SG-SG 2.79Å |
| 120 | Q | 88.6 | Confident | 76.3 | Confident | 62 Ų | 62 | 85.6 Ų | 85.6 | 29% | 0.29 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -69.3 | -27.1 | 179.9 | -68.4 | 169.7 | 19.1 | 0 | 0 | 113.1 | D116 Q117 Q118 | D116-Q120 VanDerWaalsContact O-CG 3.29Å; D116-Q120 WeakPolarHBondContact O-CG 3.04Å; D116-Q120 PolarHBondContact O-N 2.84Å; Q117-Q120 PolarHBondContact O-N 2.83Å; Q118-Q120 VanDerWaalsContact C-N 3.33Å; Q118-Q120 PolarHBondContact O-N 3.15Å |
| 121 | S | 83.8 | Confident | 74.9 | Confident | 56 Ų | 56 | 87.3 Ų | 87.3 | 39% | 0.392 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -71.2 | -31.8 | 178.1 | 77.8 | 0 | 0 | 0 | 0 | 112.5 | Q117 Q118 C119 | Q117-S121 WeakPolarHBondContact O-CB 3.2Å; Q117-S121 PolarHBondContact O-N 3.29Å; Q118-S121 PolarHBondContact O-N 2.82Å; Q118-S121 PolarHBondContact O-OG 2.76Å; C119-S121 VanDerWaalsContact C-N 3.31Å; C119-S121 PolarHBondContact O-N 2.74Å |
| 122 | H | 68.7 | Low | 73.9 | Confident | 83 Ų | 83 | 87.9 Ų | 87.9 | 38% | 0.384 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -70.7 | -30.3 | -179.1 | -94.1 | -81.3 | 0 | 0 | 0 | 113.8 | Q118 C119 R124 H125 L159 | Q118-H122 PolarHBondContact O-N 3.19Å; C119-H122 PolarHBondContact O-N 2.9Å; H122-R124 PolarHBondContact O-N 3.41Å; H122-R124 VanDerWaalsContact O-N 3.13Å; H122-H125 PolarHBondContact O-N 2.89Å; H122-L159 HydrophobicContact CB-CD1 3.82Å |
| 123 | E | 62.3 | Low | 73.3 | Confident | 49 Ų | 49 | 91.6 Ų | 91.6 | 23% | 0.229 | 46% | 0.462 | C | S | . | . | G | 310 helix | trans | -62.5 | -21.6 | -179.1 | -74.1 | -67.6 | 106.5 | 0 | 0 | 114.1 | H125 S126 W134 | E123-H125 PolarHBondContact O-N 2.82Å; E123-H125 VanDerWaalsContact O-N 3.16Å; E123-S126 PolarHBondContact O-N 3.36Å; E123-W134 VanDerWaalsContact CD-CD1 3.41Å; E123-W134 VanDerWaalsContact CD-CE2 3.43Å; E123-W134 HydrophobicContact CG-CD2 4.5Å; E123-W134 HydrophobicContact CG-CG 4.05Å; E123-W134 VanDerWaalsContact OE1-CZ2 3.28Å; E123-W134 WeakPolarHBondContact OE1-CZ2 3.4Å; E123-W134 PolarHBondContact OE1-NE1 2.9Å; E123-W134 VanDerWaalsContact OE1-NE1 3.16Å; E123-W134 PolarHBondContact OE2-NE1 2.89Å |
| 124 | R | 55.5 | Low | 73 | Confident | 201 Ų | 201 | 89.4 Ų | 89.4 | 76% | 0.758 | 44% | 0.444 | S | S | * | . | G | 310 helix | trans | -63.3 | -19.8 | 178.9 | -76.7 | -171.3 | 173.2 | 91.9 | -5.4 | 113.8 | H122 | H122-R124 PolarHBondContact O-N 3.41Å; H122-R124 VanDerWaalsContact O-N 3.13Å |
| 125 | H | 56.1 | Low | 72.9 | Confident | 175 Ų | 175 | 90.3 Ų | 90.3 | 81% | 0.81 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -93.5 | -10 | -177.2 | -69.4 | 81.8 | 0 | 0 | 0 | 114.1 | H122 E123 | H122-H125 PolarHBondContact O-N 2.89Å; E123-H125 PolarHBondContact O-N 2.82Å; E123-H125 VanDerWaalsContact O-N 3.16Å |
| 126 | S | 58.8 | Low | 72.8 | Confident | 72 Ų | 72 | 90.9 Ų | 90.9 | 50% | 0.503 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -100.7 | -0.1 | -172.9 | -145.8 | 0 | 0 | 0 | 0 | 114.4 | E123 K128 | E123-S126 PolarHBondContact O-N 3.36Å; S126-K128 PolarHBondContact O-N 3.42Å |
| 127 | G | 55.2 | Low | 72.8 | Confident | 81 Ų | 81 | 92.1 Ų | 92.1 | 84% | 0.835 | 47% | 0.468 | S | S | * | . | trans | 62.1 | 6.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 128 | K | 57.8 | Low | 72.8 | Confident | 158 Ų | 158 | 91 Ų | 91 | 69% | 0.687 | 46% | 0.464 | S | S | * | . | trans | -81.8 | 143.3 | -179.4 | -76 | 177.9 | -179.5 | 169.7 | 0 | 110.9 | S126 K130 | S126-K128 PolarHBondContact O-N 3.42Å; K128-K130 PolarHBondContact O-N 3.28Å | ||
| 129 | K | 52.7 | Low | 72.8 | Confident | 190 Ų | 190 | 92 Ų | 92 | 83% | 0.826 | 47% | 0.472 | S | S | * | . | trans | -51.7 | 135.4 | 178.8 | -94.1 | 179.7 | 174.3 | 175.6 | 0 | 110.9 | T131 | K129-T131 PolarHBondContact O-N 3.21Š| ||
| 130 | K | 56.4 | Low | 72.7 | Confident | 218 Ų | 218 | 99.6 Ų | 99.6 | 95% | 0.948 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 41.8 | -175.8 | -151.9 | -175.2 | -171.4 | -175 | 0 | 114 | K128 | K128-K130 PolarHBondContact O-N 3.28Š|
| 131 | T | 55 | Low | 72.8 | Confident | 123 Ų | 123 | 105 Ų | 105 | 76% | 0.755 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | -12.4 | -168.6 | -21.2 | 0 | 0 | 0 | 0 | 113.6 | K129 | K129-T131 PolarHBondContact O-N 3.21Š|
| 132 | Q | 66.3 | Low | 73.4 | Confident | 84 Ų | 84 | 108.2 Ų | 108.2 | 39% | 0.393 | 55% | 0.545 | S | S | . | . | trans | -116.2 | 116.7 | -175.4 | -154.9 | 165.5 | -99.1 | 0 | 0 | 110.2 | W134 P150 | Q132-W134 PolarHBondContact O-N 2.02Å; Q132-P150 HydrophobicContact CG-CB 3.53Å | ||
| 133 | M | 75.4 | Confident | 74.6 | Confident | 122 Ų | 122 | 106 Ų | 106 | 60% | 0.601 | 54% | 0.538 | S | S | * | . | trans | -71.4 | 120.2 | 174.4 | -170.8 | 104.8 | 93.2 | 0 | 0 | 108.1 | T135 V151 | M133-T135 HydrophobicContact CG-CG2 4.5Å; M133-V151 HydrophobicContact CB-CG2 4.18Å; M133-V151 WeakPolarHBondContact O-CG2 3.44Å; M133-V151 PolarHBondContact O-N 2.73Å; M133-V151 VanDerWaalsContact O-N 3.13Å | ||
| 134 | W | 86.3 | Confident | 76.3 | Confident | 36 Ų | 36 | 103.9 Ų | 103.9 | 14% | 0.136 | 53% | 0.528 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 130.1 | 172 | -74.5 | 72.4 | 0 | 0 | 0 | 109.5 | C119 E123 Q132 C148 | C119-W134 HydrophobicContact CB-CB 4.1Å; E123-W134 VanDerWaalsContact CD-CD1 3.41Å; E123-W134 VanDerWaalsContact CD-CE2 3.43Å; E123-W134 HydrophobicContact CG-CD2 4.5Å; E123-W134 HydrophobicContact CG-CG 4.05Å; E123-W134 VanDerWaalsContact OE1-CZ2 3.28Å; E123-W134 WeakPolarHBondContact OE1-CZ2 3.4Å; E123-W134 PolarHBondContact OE1-NE1 2.9Å; E123-W134 VanDerWaalsContact OE1-NE1 3.16Å; E123-W134 PolarHBondContact OE2-NE1 2.89Å; Q132-W134 PolarHBondContact O-N 2.02Å; W134-C148 HydrophobicContact CE3-CB 3.61Å; W134-C148 HydrophobicContact CZ3-CB 4.08Å |
| 135 | T | 89.7 | Confident | 78.2 | Confident | 49 Ų | 49 | 94.5 Ų | 94.5 | 30% | 0.301 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 145 | 179 | 50.5 | 0 | 0 | 0 | 0 | 109.4 | D116 M133 C148 S149 V151 | D116-T135 WeakPolarHBondContact OD1-CA 3.27Å; M133-T135 HydrophobicContact CG-CG2 4.5Å; T135-C148 WeakPolarHBondContact O-CA 3.37Å; T135-S149 PolarHBondContact N-O 3.36Å; T135-S149 PolarHBondContact O-N 2.82Å; T135-S149 PolarHBondContact OG1-O 3.43Å; T135-V151 HydrophobicContact CG2-CG2 3.8Å |
| 136 | A | 92.3 | Very high | 80.1 | Confident | 22 Ų | 22 | 86.3 Ų | 86.3 | 18% | 0.182 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 138.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | R115 D116 C119 F147 | R115-A136 HydrophobicContact CB-CB 3.9Å; R115-A136 VanDerWaalsContact CD-CB 3.43Å; R115-A136 HydrophobicContact CG-CB 3.39Å; D116-A136 WeakPolarHBondContact OD1-CB 3.41Å; D116-A136 PolarHBondContact OD1-N 2.79Å; C119-A136 VanDerWaalsContact SG-CA 3.59Å; A136-F147 WeakPolarHBondContact CA-O 3.07Å |
| 137 | V | 92.5 | Very high | 81.8 | Confident | 54 Ų | 54 | 84.6 Ų | 84.6 | 33% | 0.327 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 132 | 170.2 | -178.2 | 0 | 0 | 0 | 0 | 107.2 | F147 P156 | V137-F147 HydrophobicContact CB-CB 4.36Å; V137-F147 PolarHBondContact N-O 2.95Å; V137-F147 WeakPolarHBondContact O-CB 3.46Å; V137-P156 HydrophobicContact CB-CB 3.91Å; V137-P156 HydrophobicContact CB-CG 4.43Å; V137-P156 HydrophobicContact CG1-CB 4.22Å; V137-P156 HydrophobicContact CG1-CG 4.2Å; V137-P156 HydrophobicContact CG2-CB 3.94Å |
| 138 | I | 92.1 | Very high | 83.5 | Confident | 63 Ų | 63 | 80.7 Ų | 80.7 | 32% | 0.323 | 40% | 0.4 | S | S | . | . | trans | -95.7 | 127.9 | 178.4 | -61 | 174.1 | 0 | 0 | 0 | 107.2 | P143 C169 | I138-P143 HydrophobicContact CG2-CB 4.48Å; I138-C169 WeakPolarHBondContact CG2-O 3.47Å | ||
| 139 | S | 91.8 | Very high | 85 | Confident | 33 Ų | 33 | 73.6 Ų | 73.6 | 23% | 0.231 | 37% | 0.37 | C | S | . | . | trans | -99.2 | 133.3 | 175 | 169.1 | 0 | 0 | 0 | 0 | 109.2 | E141 K142 P143 | S139-E141 VanDerWaalsContact C-N 3.27Å; S139-E141 PolarHBondContact O-N 2.93Å; S139-E141 PolarHBondContact OG-N 2.99Å; S139-K142 CarbonylContact O-C 3.57Å; S139-K142 VanDerWaalsContact O-C 3.26Å; S139-K142 PolarHBondContact O-N 3.08Å; S139-K142 PolarHBondContact OG-N 3.4Å; S139-P143 WeakPolarHBondContact O-CA 3.49Å | ||
| 140 | D | 89.4 | Confident | 86.5 | Confident | 161 Ų | 161 | 64.8 Ų | 64.8 | 86% | 0.861 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -65.9 | -31.8 | 177 | -62.7 | -33.8 | 0 | 0 | 0 | 112.3 | ||
| 141 | E | 91.7 | Very high | 87.4 | Confident | 176 Ų | 176 | 59 Ų | 59 | 82% | 0.822 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -75.1 | -36.8 | 178.1 | -61.8 | -175.7 | 178.5 | 0 | 0 | 112.5 | S139 | S139-E141 VanDerWaalsContact C-N 3.27Å; S139-E141 PolarHBondContact O-N 2.93Å; S139-E141 PolarHBondContact OG-N 2.99Å |
| 142 | K | 94.8 | Very high | 87.9 | Confident | 123 Ų | 123 | 57 Ų | 57 | 54% | 0.535 | 32% | 0.318 | S | S | . | . | trans | -134.4 | 68.4 | -176.5 | -66.2 | -175.6 | -177.2 | 178.8 | 0 | 110.6 | S139 C144 A145 F147 | S139-K142 CarbonylContact O-C 3.57Å; S139-K142 VanDerWaalsContact O-C 3.26Å; S139-K142 PolarHBondContact O-N 3.08Å; S139-K142 PolarHBondContact OG-N 3.4Å; K142-C144 PolarHBondContact O-N 3.12Å; K142-C144 VanDerWaalsContact O-N 3.13Å; K142-A145 HydrophobicContact CB-CB 3.9Å; K142-A145 PolarHBondContact O-N 2.79Å; K142-F147 HydrophobicContact CB-CE2 4.1Å | ||
| 143 | P | 94.9 | Very high | 88.1 | Confident | 36 Ų | 36 | 60.8 Ų | 60.8 | 23% | 0.234 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -24.7 | -173.7 | 24.3 | -34.7 | 0 | 0 | 0 | 112.5 | R115 I138 S139 C169 C182 | R115-P143 PolarHBondContact NH1-O 3.46Å; R115-P143 PolarHBondContact NH2-O 3.15Å; I138-P143 HydrophobicContact CG2-CB 4.48Å; S139-P143 WeakPolarHBondContact O-CA 3.49Å; P143-C169 HydrophobicContact CB-CB 4.38Å; P143-C182 HydrophobicContact CG-CB 4.26Å |
| 144 | C | 96.9 | Very high | 87.8 | Confident | 4 Ų | 4 | 63 Ų | 63 | 3% | 0.027 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 6.3 | 178.8 | -65.4 | 0 | 0 | 0 | 0 | 114.9 | K142 R162 V163 C177 G180 C182 | K142-C144 PolarHBondContact O-N 3.12Å; K142-C144 VanDerWaalsContact O-N 3.13Å; C144-R162 CarbonylContact O-C 3.56Å; C144-R162 VanDerWaalsContact O-CA 3.27Å; C144-R162 WeakPolarHBondContact O-CA 3.48Å; C144-V163 HydrophobicContact CB-CG2 4.4Å; C144-V163 WeakPolarHBondContact O-CG2 3.34Å; C144-V163 PolarHBondContact O-N 3.27Å; C144-C177 WeakPolarHBondContact CA-SG 3.38Å; C144-C177 HydrophobicContact CB-CB 3.72Å; C144-C177 WeakPolarHBondContact CB-SG 3.3Å; C144-C177 WeakPolarHBondContact SG-CA 3.06Å; C144-C177 WeakPolarHBondContact SG-CB 3.49Å; C144-C177 CovalentContact SG-SG 2.04Å; C144-C177 PolarHBondContact SG-SG 3.48Å; C144-G180 WeakPolarHBondContact CB-O 3.43Å; C144-C182 PolarHBondContact SG-N 3.3Å; C144-C182 VanDerWaalsContact SG-N 3.37Å |
| 145 | A | 96.8 | Very high | 87.7 | Confident | 5 Ų | 5 | 64.6 Ų | 64.6 | 4% | 0.041 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -83.8 | 152.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | R115 K142 F147 L158 E161 | R115-A145 PolarHBondContact NH1-O 2.94Å; K142-A145 HydrophobicContact CB-CB 3.9Å; K142-A145 PolarHBondContact O-N 2.79Å; A145-F147 HydrophobicContact CB-CD2 4.1Å; A145-F147 HydrophobicContact CB-CE2 3.67Å; A145-F147 HydrophobicContact CB-CZ 4.4Å; A145-F147 PolarHBondContact O-N 3.35Å; A145-L158 HydrophobicContact CB-CD1 3.88Å; A145-E161 WeakPolarHBondContact CA-O 3.49Å |
| 146 | L | 95.4 | Very high | 87.7 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.01 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 93.4 | 178.4 | -173.1 | 68.1 | 0 | 0 | 0 | 109.6 | R115 Q118 L159 A160 V163 | R115-L146 HydrophobicContact CG-CD1 4.04Å; Q118-L146 HydrophobicContact CB-CD1 3.9Å; Q118-L146 HydrophobicContact CB-CD2 3.9Å; L146-L159 HydrophobicContact CD2-CB 4.14Å; L146-L159 HydrophobicContact CG-CB 4.42Å; L146-L159 PolarHBondContact O-N 2.87Å; L146-A160 HydrophobicContact CB-CB 3.9Å; L146-A160 HydrophobicContact CD2-CB 4.22Å; L146-A160 PolarHBondContact N-O 3.43Å; L146-A160 PolarHBondContact O-N 2.93Å; L146-V163 HydrophobicContact CB-CG1 3.88Å; L146-V163 HydrophobicContact CD1-CG1 3.94Å |
| 147 | F | 93.8 | Very high | 87.6 | Confident | 36 Ų | 36 | 67.6 Ų | 67.6 | 16% | 0.158 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 133 | 167 | -65.3 | -85.6 | 0 | 0 | 0 | 109.8 | A136 V137 K142 A145 P156 V157 L158 | A136-F147 WeakPolarHBondContact CA-O 3.07Å; V137-F147 HydrophobicContact CB-CB 4.36Å; V137-F147 PolarHBondContact N-O 2.95Å; V137-F147 WeakPolarHBondContact O-CB 3.46Å; K142-F147 HydrophobicContact CB-CE2 4.1Å; A145-F147 HydrophobicContact CB-CD2 4.1Å; A145-F147 HydrophobicContact CB-CE2 3.67Å; A145-F147 HydrophobicContact CB-CZ 4.4Å; A145-F147 PolarHBondContact O-N 3.35Å; F147-P156 HydrophobicContact CB-CB 4.15Å; F147-V157 CarbonylContact C-O 3.55Å; F147-V157 WeakPolarHBondContact CA-O 3.39Å; F147-L158 HydrophobicContact CD1-CB 3.99Å; F147-L158 HydrophobicContact CD1-CD1 4.15Å; F147-L158 HydrophobicContact CE1-CB 3.8Å; F147-L158 HydrophobicContact CE1-CD1 3.87Å; F147-L158 HydrophobicContact CE1-CG 4.35Å; F147-L158 HydrophobicContact CE2-CD1 4.26Å; F147-L158 HydrophobicContact CG-CD1 4.47Å; F147-L158 HydrophobicContact CZ-CD1 3.93Å |
| 148 | C | 91.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 136.2 | -179.9 | -55 | 0 | 0 | 0 | 0 | 109.7 | C119 W134 T135 V157 L159 | C119-C148 WeakPolarHBondContact CA-SG 3.19Å; C119-C148 HydrophobicContact CB-CB 3.74Å; C119-C148 WeakPolarHBondContact CB-SG 3.43Å; C119-C148 WeakPolarHBondContact SG-CB 3.31Å; C119-C148 CovalentContact SG-SG 2.03Å; C119-C148 PolarHBondContact SG-SG 2.79Å; W134-C148 HydrophobicContact CE3-CB 3.61Å; W134-C148 HydrophobicContact CZ3-CB 4.08Å; T135-C148 WeakPolarHBondContact O-CA 3.37Å; C148-V157 PolarHBondContact N-O 2.96Å; C148-V157 PolarHBondContact O-N 2.95Å; C148-L159 HydrophobicContact CB-CD1 3.63Å; C148-L159 HydrophobicContact CB-CG 3.95Å; C148-L159 WeakPolarHBondContact SG-CD1 3.14Å |
| 149 | S | 89.3 | Confident | 87.6 | Confident | 9 Ų | 9 | 68.4 Ų | 68.4 | 6% | 0.063 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 142.4 | 172.9 | -169.1 | 0 | 0 | 0 | 0 | 109 | T135 R153 | T135-S149 PolarHBondContact N-O 3.36Å; T135-S149 PolarHBondContact O-N 2.82Å; T135-S149 PolarHBondContact OG1-O 3.43Å; S149-R153 PolarHBondContact OG-O 2.91Å; S149-R153 VanDerWaalsContact OG-O 3.13Å |
| 150 | P | 84.1 | Confident | 87.7 | Confident | 5 Ų | 5 | 68.1 Ų | 68.1 | 3% | 0.032 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 142.6 | 163.9 | 29.3 | -33.5 | 0 | 0 | 0 | 111 | Q132 G152 R153 | Q132-P150 HydrophobicContact CG-CB 3.53Å; P150-G152 PolarHBondContact O-N 2.88Å; P150-R153 HydrophobicContact CG-CB 3.98Å; P150-R153 HydrophobicContact CG-CG 3.92Å; P150-R153 PolarHBondContact O-N 2.66Å |
| 151 | V | 74.8 | Confident | 87.9 | Confident | 95 Ų | 95 | 67.4 Ų | 67.4 | 58% | 0.576 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 114.4 | 174.3 | 176.6 | 0 | 0 | 0 | 0 | 109.2 | M133 T135 | M133-V151 HydrophobicContact CB-CG2 4.18Å; M133-V151 WeakPolarHBondContact O-CG2 3.44Å; M133-V151 PolarHBondContact O-N 2.73Å; M133-V151 VanDerWaalsContact O-N 3.13Å; T135-V151 HydrophobicContact CG2-CG2 3.8Å |
| 152 | G | 66.8 | Low | 88.2 | Confident | 81 Ų | 81 | 66.3 Ų | 66.3 | 84% | 0.835 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.2 | 15.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | P150 | P150-G152 PolarHBondContact O-N 2.88Š|
| 153 | R | 68.9 | Low | 88.2 | Confident | 165 Ų | 165 | 60.7 Ų | 60.7 | 62% | 0.623 | 34% | 0.339 | S | S | * | . | trans | -122.9 | 151.2 | 165 | -63.2 | -171.5 | -177.5 | 172.6 | -3.1 | 112 | S149 P150 | S149-R153 PolarHBondContact OG-O 2.91Å; S149-R153 VanDerWaalsContact OG-O 3.13Å; P150-R153 HydrophobicContact CG-CB 3.98Å; P150-R153 HydrophobicContact CG-CG 3.92Å; P150-R153 PolarHBondContact O-N 2.66Å | ||
| 154 | D | 69.6 | Low | 88.3 | Confident | 168 Ų | 168 | 63.8 Ų | 63.8 | 90% | 0.898 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -84.2 | -16.5 | -165.7 | -59.8 | -42.9 | 0 | 0 | 0 | 115.3 | ||
| 155 | A | 83.9 | Confident | 88.3 | Confident | 70 Ų | 70 | 66 Ų | 66 | 58% | 0.579 | 37% | 0.365 | S | S | * | . | trans | -117.4 | 116.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 156 | P | 89.1 | Confident | 88.2 | Confident | 58 Ų | 58 | 65.8 Ų | 65.8 | 38% | 0.377 | 36% | 0.363 | S | S | . | . | trans | -71.7 | 142.9 | 172.2 | 30.2 | -33.8 | 0 | 0 | 0 | 111.4 | V137 F147 | V137-P156 HydrophobicContact CB-CB 3.91Å; V137-P156 HydrophobicContact CB-CG 4.43Å; V137-P156 HydrophobicContact CG1-CB 4.22Å; V137-P156 HydrophobicContact CG1-CG 4.2Å; V137-P156 HydrophobicContact CG2-CB 3.94Å; F147-P156 HydrophobicContact CB-CB 4.15Å | ||
| 157 | V | 90.5 | Very high | 88.2 | Confident | 75 Ų | 75 | 65.7 Ų | 65.7 | 46% | 0.455 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 136.1 | 177.3 | -177.4 | 0 | 0 | 0 | 0 | 109.4 | F147 C148 L159 | F147-V157 CarbonylContact C-O 3.55Å; F147-V157 WeakPolarHBondContact CA-O 3.39Å; C148-V157 PolarHBondContact N-O 2.96Å; C148-V157 PolarHBondContact O-N 2.95Å; V157-L159 HydrophobicContact CG1-CD2 4.21Å; V157-L159 PolarHBondContact O-N 3.49Å |
| 158 | L | 92.8 | Very high | 88.2 | Confident | 83 Ų | 83 | 66 Ų | 66 | 44% | 0.435 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 109.7 | 170.9 | -179.1 | 64.6 | 0 | 0 | 0 | 109.6 | A145 F147 A160 | A145-L158 HydrophobicContact CB-CD1 3.88Å; F147-L158 HydrophobicContact CD1-CB 3.99Å; F147-L158 HydrophobicContact CD1-CD1 4.15Å; F147-L158 HydrophobicContact CE1-CB 3.8Å; F147-L158 HydrophobicContact CE1-CD1 3.87Å; F147-L158 HydrophobicContact CE1-CG 4.35Å; F147-L158 HydrophobicContact CE2-CD1 4.26Å; F147-L158 HydrophobicContact CG-CD1 4.47Å; F147-L158 HydrophobicContact CZ-CD1 3.93Å; L158-A160 VanDerWaalsContact CD1-O 3.27Å; L158-A160 WeakPolarHBondContact CD1-O 3.32Å |
| 159 | L | 91.6 | Very high | 88.3 | Confident | 51 Ų | 51 | 66.1 Ų | 66.1 | 27% | 0.267 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -32.9 | 176.5 | -65.7 | -167.2 | 0 | 0 | 0 | 112.8 | H122 L146 C148 V157 | H122-L159 HydrophobicContact CB-CD1 3.82Å; L146-L159 HydrophobicContact CD2-CB 4.14Å; L146-L159 HydrophobicContact CG-CB 4.42Å; L146-L159 PolarHBondContact O-N 2.87Å; C148-L159 HydrophobicContact CB-CD1 3.63Å; C148-L159 HydrophobicContact CB-CG 3.95Å; C148-L159 WeakPolarHBondContact SG-CD1 3.14Å; V157-L159 HydrophobicContact CG1-CD2 4.21Å; V157-L159 PolarHBondContact O-N 3.49Å |
| 160 | A | 94.1 | Very high | 88.2 | Confident | 27 Ų | 27 | 66.3 Ų | 66.3 | 22% | 0.223 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 144.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L146 L158 R162 | L146-A160 HydrophobicContact CB-CB 3.9Å; L146-A160 HydrophobicContact CD2-CB 4.22Å; L146-A160 PolarHBondContact N-O 3.43Å; L146-A160 PolarHBondContact O-N 2.93Å; L158-A160 VanDerWaalsContact CD1-O 3.27Å; L158-A160 WeakPolarHBondContact CD1-O 3.32Å; A160-R162 PolarHBondContact O-N 2.85Å |
| 161 | E | 95.2 | Very high | 87.9 | Confident | 146 Ų | 146 | 71 Ų | 71 | 68% | 0.682 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -65.3 | -25.6 | 177.2 | -64.7 | -171.5 | 168.8 | 0 | 0 | 113.1 | A145 | A145-E161 WeakPolarHBondContact CA-O 3.49Š|
| 162 | R | 96.4 | Very high | 87.6 | Confident | 153 Ų | 153 | 75.3 Ų | 75.3 | 58% | 0.577 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -140.9 | 133.3 | -178.9 | -55.2 | -179.4 | -155.7 | 112.8 | 15 | 110.3 | C144 A160 | C144-R162 CarbonylContact O-C 3.56Å; C144-R162 VanDerWaalsContact O-CA 3.27Å; C144-R162 WeakPolarHBondContact O-CA 3.48Å; A160-R162 PolarHBondContact O-N 2.85Å |
| 163 | V | 96.4 | Very high | 87.8 | Confident | 6 Ų | 6 | 76.9 Ų | 76.9 | 4% | 0.036 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -72.7 | 161.7 | 166.2 | -62.2 | 0 | 0 | 0 | 0 | 110.7 | R115 C144 L146 T167 C177 | R115-V163 HydrophobicContact CG-CG1 4.43Å; C144-V163 HydrophobicContact CB-CG2 4.4Å; C144-V163 WeakPolarHBondContact O-CG2 3.34Å; C144-V163 PolarHBondContact O-N 3.27Å; L146-V163 HydrophobicContact CB-CG1 3.88Å; L146-V163 HydrophobicContact CD1-CG1 3.94Å; V163-T167 HydrophobicContact CB-CG2 4.05Å; V163-T167 HydrophobicContact CG1-CG2 4.36Å; V163-T167 VanDerWaalsContact CG2-CB 3.48Å; V163-T167 HydrophobicContact CG2-CG2 3.89Å; V163-C177 HydrophobicContact CG2-CB 3.43Å; V163-C177 VanDerWaalsContact CG2-CB 3.43Å |
| 164 | L | 95.6 | Very high | 88.2 | Confident | 101 Ų | 101 | 71.3 Ų | 71.3 | 53% | 0.529 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 144.4 | 172.9 | -66.8 | 175.3 | 0 | 0 | 0 | 111.6 | F114 Q118 G166 T167 | F114-L164 HydrophobicContact CE1-CB 3.84Å; F114-L164 HydrophobicContact CE1-CD1 4.47Å; F114-L164 HydrophobicContact CZ-CB 4.03Å; F114-L164 HydrophobicContact CZ-CD1 4Å; Q118-L164 HydrophobicContact CG-CD1 4.02Å; Q118-L164 HydrophobicContact CG-CG 4.3Å; L164-G166 PolarHBondContact O-N 3.06Å; L164-T167 VanDerWaalsContact O-CB 3.28Å; L164-T167 WeakPolarHBondContact O-CB 3.19Å; L164-T167 PolarHBondContact O-N 3.43Å; L164-T167 VanDerWaalsContact O-N 3.1Å; L164-T167 PolarHBondContact O-OG1 2.94Å |
| 165 | D | 96.5 | Very high | 89.3 | Confident | 50 Ų | 50 | 65 Ų | 65 | 27% | 0.267 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | 139.2 | -178.4 | -68.5 | -24.2 | 0 | 0 | 0 | 112.1 | S72 H99 T167 C177 V178 N179 | S72-D165 WeakPolarHBondContact CB-O 3.26Å; S72-D165 PolarHBondContact OG-O 2.03Å; H99-D165 IonicContact NE2-OD2 3.14Å; D165-T167 VanDerWaalsContact C-N 3.34Å; D165-C177 CarbonylContact C-O 3.56Å; D165-C177 VanDerWaalsContact CA-O 3.29Å; D165-C177 WeakPolarHBondContact CA-O 2.99Å; D165-V178 VanDerWaalsContact OD1-CA 3.27Å; D165-V178 WeakPolarHBondContact OD1-CA 3.46Å; D165-N179 PolarHBondContact OD1-N 3.28Å |
| 166 | G | 94.9 | Very high | 89.8 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | 3.6 | -172 | 0 | 0 | 0 | 0 | 0 | 114.2 | R73 A79 L164 C177 | R73-G166 PolarHBondContact NH2-O 2.92Å; A79-G166 VanDerWaalsContact CB-CA 3.45Å; L164-G166 PolarHBondContact O-N 3.06Å; G166-C177 PolarHBondContact N-O 3.12Å |
| 167 | T | 95.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 129.9 | 167.1 | -56.1 | 0 | 0 | 0 | 0 | 110 | F114 R115 Q118 V163 L164 D165 C169 C177 | F114-T167 HydrophobicContact CD1-CG2 4.31Å; F114-T167 VanDerWaalsContact CD1-OG1 3.24Å; F114-T167 WeakPolarHBondContact CD1-OG1 3.46Å; F114-T167 VanDerWaalsContact CE1-OG1 3.27Å; F114-T167 WeakPolarHBondContact CE1-OG1 3.35Å; R115-T167 HydrophobicContact CB-CG2 3.76Å; R115-T167 HydrophobicContact CG-CG2 3.91Å; Q118-T167 PolarHBondContact NE2-OG1 3.31Å; V163-T167 HydrophobicContact CB-CG2 4.05Å; V163-T167 HydrophobicContact CG1-CG2 4.36Å; V163-T167 VanDerWaalsContact CG2-CB 3.48Å; V163-T167 HydrophobicContact CG2-CG2 3.89Å; L164-T167 VanDerWaalsContact O-CB 3.28Å; L164-T167 WeakPolarHBondContact O-CB 3.19Å; L164-T167 PolarHBondContact O-N 3.43Å; L164-T167 VanDerWaalsContact O-N 3.1Å; L164-T167 PolarHBondContact O-OG1 2.94Å; D165-T167 VanDerWaalsContact C-N 3.34Å; T167-C169 PolarHBondContact O-N 3.39Å; T167-C177 WeakPolarHBondContact O-CB 3.01Å; T167-C177 PolarHBondContact O-N 3.37Å |
| 168 | P | 94.3 | Very high | 90.4 | Very high | 42 Ų | 42 | 56 Ų | 56 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.6 | 135.6 | 174.4 | -24.8 | 33.7 | 0 | 0 | 0 | 111.2 | R115 G170 D175 | R115-P168 PolarHBondContact NE-O 3.4Å; R115-P168 PolarHBondContact NH2-O 2.92Å; P168-G170 VanDerWaalsContact C-N 3.35Å; P168-D175 WeakPolarHBondContact CA-O 3.33Å |
| 169 | C | 93.6 | Very high | 90.5 | Very high | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.02 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -68.8 | -37.1 | 177.8 | -55.6 | 0 | 0 | 0 | 0 | 112.3 | I138 P143 T167 D175 L176 C182 | I138-C169 WeakPolarHBondContact CG2-O 3.47Å; P143-C169 HydrophobicContact CB-CB 4.38Å; T167-C169 PolarHBondContact O-N 3.39Å; C169-D175 PolarHBondContact N-O 3.01Å; C169-D175 VanDerWaalsContact SG-C 3.51Å; C169-D175 PolarHBondContact SG-O 3.24Å; C169-D175 VanDerWaalsContact SG-O 3.41Å; C169-L176 VanDerWaalsContact SG-C 3.55Å; C169-C182 HydrophobicContact CB-CB 3.89Å; C169-C182 WeakPolarHBondContact CB-SG 3.43Å; C169-C182 WeakPolarHBondContact SG-CA 3.33Å; C169-C182 WeakPolarHBondContact SG-CB 3.42Å; C169-C182 CovalentContact SG-SG 2.03Å; C169-C182 PolarHBondContact SG-SG 2.93Å |
| 170 | G | 88.8 | Confident | 90.7 | Very high | 14 Ų | 14 | 56.1 Ų | 56.1 | 14% | 0.144 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -137.8 | 172.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | P168 | P168-G170 VanDerWaalsContact C-N 3.35Š|
| 171 | P | 76.9 | Confident | 90.7 | Very high | 102 Ų | 102 | 61.5 Ų | 61.5 | 66% | 0.662 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -73.5 | -26.9 | 177.3 | 26.4 | -30.3 | 0 | 0 | 0 | 113.2 | ||
| 172 | Y | 69.4 | Low | 90.7 | Very high | 187 Ų | 187 | 56.8 Ų | 56.8 | 73% | 0.733 | 29% | 0.293 | S | S | * | . | S | Bend | trans | -112.7 | -18 | -173.7 | -55.4 | -64.7 | 0 | 0 | 0 | 113.6 | R232 | Y172-R232 WeakPolarHBondContact O-CD 3.49Å; Y172-R232 PolarHBondContact O-NH1 3.13Å |
| 173 | E | 69.1 | Low | 90.7 | Very high | 114 Ų | 114 | 52.6 Ų | 52.6 | 53% | 0.533 | 28% | 0.28 | S | S | . | . | trans | -90 | 150.3 | -175.9 | -63.6 | -173.2 | 163.8 | 0 | 0 | 112.2 | D175 R232 | E173-D175 HydrophobicContact CB-CB 4.28Å; E173-R232 VanDerWaalsContact C-NH1 3.27Å | ||
| 174 | S | 77.7 | Confident | 90.5 | Very high | 47 Ų | 47 | 58.6 Ų | 58.6 | 33% | 0.329 | 31% | 0.306 | S | S | . | . | trans | -85.2 | 2.9 | 171.1 | -81.3 | 0 | 0 | 0 | 0 | 111.8 | I185 R232 | S174-I185 WeakPolarHBondContact O-CD1 3.31Å; S174-R232 VanDerWaalsContact OG-CZ 3.26Å; S174-R232 PolarHBondContact OG-NH1 3.09Å; S174-R232 PolarHBondContact OG-NH2 3.15Å | ||
| 175 | D | 92.7 | Very high | 90.4 | Very high | 35 Ų | 35 | 55.6 Ų | 55.6 | 19% | 0.187 | 29% | 0.29 | C | S | . | . | trans | -73.6 | 141.7 | -175.9 | -65.7 | 6.8 | 0 | 0 | 0 | 109.2 | P168 C169 E173 C182 Q183 | P168-D175 WeakPolarHBondContact CA-O 3.33Å; C169-D175 PolarHBondContact N-O 3.01Å; C169-D175 VanDerWaalsContact SG-C 3.51Å; C169-D175 PolarHBondContact SG-O 3.24Å; C169-D175 VanDerWaalsContact SG-O 3.41Å; E173-D175 HydrophobicContact CB-CB 4.28Å; D175-C182 VanDerWaalsContact CB-SG 3.54Å; D175-Q183 WeakPolarHBondContact CA-O 3.19Å | ||
| 176 | L | 95.3 | Very high | 90.2 | Very high | 3 Ų | 3 | 53.6 Ų | 53.6 | 2% | 0.016 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 140.5 | -170.9 | -60.5 | -178.7 | 0 | 0 | 0 | 109.8 | T77 C169 V178 Q183 I185 I191 | T77-L176 HydrophobicContact CG2-CD1 4.19Å; C169-L176 VanDerWaalsContact SG-C 3.55Å; L176-V178 PolarHBondContact O-N 2.93Å; L176-Q183 PolarHBondContact N-O 3.39Å; L176-Q183 PolarHBondContact O-N 3.35Å; L176-I185 HydrophobicContact CD1-CD1 3.87Å; L176-I185 HydrophobicContact CD1-CG1 4.25Å; L176-I185 HydrophobicContact CG-CD1 4.05Å; L176-I185 HydrophobicContact CG-CG1 4.28Å; L176-I191 HydrophobicContact CD1-CD1 3.8Å; L176-I191 HydrophobicContact CD1-CG1 4.48Å |
| 177 | C | 96.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 124.3 | 169.8 | -67.7 | 0 | 0 | 0 | 0 | 109.6 | C144 V163 D165 G166 T167 K181 | C144-C177 WeakPolarHBondContact CA-SG 3.38Å; C144-C177 HydrophobicContact CB-CB 3.72Å; C144-C177 WeakPolarHBondContact CB-SG 3.3Å; C144-C177 WeakPolarHBondContact SG-CA 3.06Å; C144-C177 WeakPolarHBondContact SG-CB 3.49Å; C144-C177 CovalentContact SG-SG 2.04Å; C144-C177 PolarHBondContact SG-SG 3.48Å; V163-C177 HydrophobicContact CG2-CB 3.43Å; V163-C177 VanDerWaalsContact CG2-CB 3.43Å; D165-C177 CarbonylContact C-O 3.56Å; D165-C177 VanDerWaalsContact CA-O 3.29Å; D165-C177 WeakPolarHBondContact CA-O 2.99Å; G166-C177 PolarHBondContact N-O 3.12Å; T167-C177 WeakPolarHBondContact O-CB 3.01Å; T167-C177 PolarHBondContact O-N 3.37Å; C177-K181 WeakPolarHBondContact CA-O 3.33Å |
| 178 | V | 96.3 | Very high | 90 | Very high | 11 Ų | 11 | 58.8 Ų | 58.8 | 7% | 0.067 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 127.2 | 172.6 | 173 | 0 | 0 | 0 | 0 | 108.2 | H99 D165 L176 G180 K181 Q183 I191 | H99-V178 HydrophobicContact CB-CG1 4.19Å; H99-V178 HydrophobicContact CB-CG2 4.31Å; H99-V178 VanDerWaalsContact CE1-CG1 3.49Å; H99-V178 WeakPolarHBondContact CE1-CG1 3.33Å; H99-V178 VanDerWaalsContact CG-CG1 3.48Å; H99-V178 WeakPolarHBondContact ND1-CG1 3.32Å; D165-V178 VanDerWaalsContact OD1-CA 3.27Å; D165-V178 WeakPolarHBondContact OD1-CA 3.46Å; L176-V178 PolarHBondContact O-N 2.93Å; V178-G180 PolarHBondContact O-N 3.21Å; V178-K181 PolarHBondContact N-O 3.27Å; V178-K181 PolarHBondContact O-N 3.23Å; V178-Q183 HydrophobicContact CB-CG 4.34Å; V178-I191 HydrophobicContact CB-CG2 4.45Å; V178-I191 HydrophobicContact CG2-CB 4.36Å; V178-I191 HydrophobicContact CG2-CD1 4.12Å; V178-I191 HydrophobicContact CG2-CG2 3.68Å |
| 179 | N | 93.8 | Very high | 90 | Very high | 112 Ų | 112 | 57.6 Ų | 57.6 | 60% | 0.599 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 36.3 | -176.7 | -78.8 | -24.2 | 0 | 0 | 0 | 113 | D165 K181 | D165-N179 PolarHBondContact OD1-N 3.28Å; N179-K181 PolarHBondContact O-N 2.8Å |
| 180 | G | 95 | Very high | 90 | Very high | 25 Ų | 25 | 58.6 Ų | 58.6 | 26% | 0.258 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 7.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | C144 V178 | C144-G180 WeakPolarHBondContact CB-O 3.43Å; V178-G180 PolarHBondContact O-N 3.21Å |
| 181 | K | 95.7 | Very high | 90.4 | Very high | 141 Ų | 141 | 58.6 Ų | 58.6 | 61% | 0.613 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 144.8 | 174.1 | -66 | -175.5 | -179.4 | -177.8 | 0 | 110 | C177 V178 N179 Q183 | C177-K181 WeakPolarHBondContact CA-O 3.33Å; V178-K181 PolarHBondContact N-O 3.27Å; V178-K181 PolarHBondContact O-N 3.23Å; N179-K181 PolarHBondContact O-N 2.8Å; K181-Q183 HydrophobicContact CB-CG 4.49Å; K181-Q183 PolarHBondContact O-N 3.36Å |
| 182 | C | 95.3 | Very high | 91.2 | Very high | 46 Ų | 46 | 55.6 Ų | 55.6 | 31% | 0.311 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 122.1 | 171.1 | -171.3 | 0 | 0 | 0 | 0 | 109.3 | P143 C144 C169 D175 | P143-C182 HydrophobicContact CG-CB 4.26Å; C144-C182 PolarHBondContact SG-N 3.3Å; C144-C182 VanDerWaalsContact SG-N 3.37Å; C169-C182 HydrophobicContact CB-CB 3.89Å; C169-C182 WeakPolarHBondContact CB-SG 3.43Å; C169-C182 WeakPolarHBondContact SG-CA 3.33Å; C169-C182 WeakPolarHBondContact SG-CB 3.42Å; C169-C182 CovalentContact SG-SG 2.03Å; C169-C182 PolarHBondContact SG-SG 2.93Å; D175-C182 VanDerWaalsContact CB-SG 3.54Å |
| 183 | Q | 95.1 | Very high | 92.3 | Very high | 65 Ų | 65 | 48.3 Ų | 48.3 | 30% | 0.304 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 134.1 | -175.1 | -65.6 | -68.4 | -11.8 | 0 | 0 | 110.2 | D175 L176 V178 K181 I191 | D175-Q183 WeakPolarHBondContact CA-O 3.19Å; L176-Q183 PolarHBondContact N-O 3.39Å; L176-Q183 PolarHBondContact O-N 3.35Å; V178-Q183 HydrophobicContact CB-CG 4.34Å; K181-Q183 HydrophobicContact CB-CG 4.49Å; K181-Q183 PolarHBondContact O-N 3.36Å; Q183-I191 HydrophobicContact CB-CG2 3.48Å; Q183-I191 VanDerWaalsContact CB-CG2 3.48Å; Q183-I191 HydrophobicContact CG-CG2 4.47Å |
| 184 | K | 93.7 | Very high | 93.5 | Very high | 133 Ų | 133 | 48.3 Ų | 48.3 | 58% | 0.578 | 29% | 0.286 | S | S | * | . | P | Polyproline II helix | trans | -74.7 | 142.1 | 175.7 | -173.7 | 168.8 | -174.5 | 174.7 | 0 | 110.9 | G192 | K184-G192 PolarHBondContact O-N 2.94Š|
| 185 | I | 92.7 | Very high | 94.2 | Very high | 37 Ų | 37 | 46.4 Ų | 46.4 | 19% | 0.19 | 27% | 0.273 | C | S | . | . | B | Isolated β-bridge | trans | -79 | 120.1 | 170.8 | -50.1 | 174.4 | 0 | 0 | 0 | 108 | T77 A101 S174 L176 I191 | T77-I185 HydrophobicContact CG2-CD1 4.07Å; A101-I185 HydrophobicContact CB-CD1 3.94Å; A101-I185 HydrophobicContact CB-CG1 4.39Å; A101-I185 HydrophobicContact CB-CG2 3.8Å; S174-I185 WeakPolarHBondContact O-CD1 3.31Å; L176-I185 HydrophobicContact CD1-CD1 3.87Å; L176-I185 HydrophobicContact CD1-CG1 4.25Å; L176-I185 HydrophobicContact CG-CD1 4.05Å; L176-I185 HydrophobicContact CG-CG1 4.28Å; I185-I191 HydrophobicContact CG1-CG1 4.43Å |
| 186 | G | 92.4 | Very high | 94.2 | Very high | 9 Ų | 9 | 51.9 Ų | 51.9 | 9% | 0.093 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -69 | 163.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D188 G189 I190 S193 A195 | G186-D188 PolarHBondContact O-N 2.96Å; G186-D188 VanDerWaalsContact O-N 3.15Å; G186-G189 WeakPolarHBondContact O-CA 3.35Å; G186-G189 PolarHBondContact O-N 2.93Å; G186-I190 PolarHBondContact N-O 2.93Å; G186-S193 WeakPolarHBondContact CA-OG 3.46Å; G186-A195 WeakPolarHBondContact CA-O 3.37Å |
| 187 | C | 92.4 | Very high | 94 | Very high | 42 Ų | 42 | 56.6 Ų | 56.6 | 28% | 0.284 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -15.3 | 177.9 | 58 | 0 | 0 | 0 | 0 | 113.7 | G189 A195 K196 E197 C203 | C187-G189 VanDerWaalsContact C-N 3.27Å; C187-A195 PolarHBondContact N-O 2.93Å; C187-K196 PolarHBondContact SG-N 2.92Å; C187-K196 VanDerWaalsContact SG-N 3.36Å; C187-K196 PolarHBondContact SG-O 2.91Å; C187-K196 VanDerWaalsContact SG-O 3.41Å; C187-E197 HydrophobicContact CB-CG 3.79Å; C187-C203 HydrophobicContact CB-CB 3.55Å; C187-C203 WeakPolarHBondContact CB-SG 3.38Å; C187-C203 WeakPolarHBondContact SG-CA 3.43Å; C187-C203 WeakPolarHBondContact SG-CB 3.5Å; C187-C203 CovalentContact SG-SG 2.02Å; C187-C203 PolarHBondContact SG-SG 3.45Å |
| 188 | D | 93.4 | Very high | 93.6 | Very high | 66 Ų | 66 | 57.8 Ų | 57.8 | 35% | 0.353 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -2 | 172.1 | 58.7 | -2 | 0 | 0 | 0 | 113 | G186 I190 S193 A195 C203 | G186-D188 PolarHBondContact O-N 2.96Å; G186-D188 VanDerWaalsContact O-N 3.15Å; D188-I190 HydrophobicContact CB-CG1 4.48Å; D188-I190 PolarHBondContact O-N 3.35Å; D188-I190 WeakPolarHBondContact OD1-CB 3.32Å; D188-I190 PolarHBondContact OD1-N 2.95Å; D188-S193 PolarHBondContact OD1-OG 3.41Å; D188-S193 PolarHBondContact OD2-OG 2.93Å; D188-A195 HydrophobicContact CB-CB 4.2Å; D188-A195 WeakPolarHBondContact OD2-CB 3.4Å; D188-C203 PolarHBondContact N-SG 3.43Å; D188-C203 VanDerWaalsContact N-SG 3.38Å |
| 189 | G | 93.4 | Very high | 93.1 | Very high | 18 Ų | 18 | 63.4 Ų | 63.4 | 19% | 0.186 | 34% | 0.343 | C | S | . | . | S | Bend | trans | 77.7 | 0.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114 | K100 A101 G186 C187 | K100-G189 WeakPolarHBondContact CA-O 3.5Å; K100-G189 WeakPolarHBondContact CG-O 2.86Å; A101-G189 PolarHBondContact N-O 3.4Å; G186-G189 WeakPolarHBondContact O-CA 3.35Å; G186-G189 PolarHBondContact O-N 2.93Å; C187-G189 VanDerWaalsContact C-N 3.27Å |
| 190 | I | 95.2 | Very high | 92.8 | Very high | 23 Ų | 23 | 59.1 Ų | 59.1 | 12% | 0.118 | 32% | 0.321 | C | S | . | . | B | Isolated β-bridge | trans | -80.9 | 132.2 | 177.2 | -57.6 | -60.7 | 0 | 0 | 0 | 108.9 | W68 E98 K100 G186 D188 S193 | W68-I190 HydrophobicContact CH2-CD1 4.27Å; E98-I190 HydrophobicContact CG-CD1 4.4Å; E98-I190 HydrophobicContact CG-CG2 4.02Å; K100-I190 HydrophobicContact CB-CD1 4.01Å; K100-I190 HydrophobicContact CD-CD1 3.95Å; K100-I190 HydrophobicContact CG-CD1 3.97Å; G186-I190 PolarHBondContact N-O 2.93Å; D188-I190 HydrophobicContact CB-CG1 4.48Å; D188-I190 PolarHBondContact O-N 3.35Å; D188-I190 WeakPolarHBondContact OD1-CB 3.32Å; D188-I190 PolarHBondContact OD1-N 2.95Å; I190-S193 PolarHBondContact O-OG 3.38Å |
| 191 | I | 95.7 | Very high | 92.5 | Very high | 14 Ų | 14 | 59.5 Ų | 59.5 | 7% | 0.072 | 33% | 0.326 | C | S | . | . | B | Isolated β-bridge | trans | -83.6 | 124.1 | -176.3 | -56.7 | 169.2 | 0 | 0 | 0 | 108.6 | A79 H99 A101 L176 V178 Q183 I185 S193 | A79-I191 HydrophobicContact CB-CD1 3.61Å; H99-I191 HydrophobicContact CB-CB 4.12Å; H99-I191 HydrophobicContact CB-CD1 4.16Å; H99-I191 PolarHBondContact O-N 3.5Å; A101-I191 HydrophobicContact CB-CG1 4.36Å; L176-I191 HydrophobicContact CD1-CD1 3.8Å; L176-I191 HydrophobicContact CD1-CG1 4.48Å; V178-I191 HydrophobicContact CB-CG2 4.45Å; V178-I191 HydrophobicContact CG2-CB 4.36Å; V178-I191 HydrophobicContact CG2-CD1 4.12Å; V178-I191 HydrophobicContact CG2-CG2 3.68Å; Q183-I191 HydrophobicContact CB-CG2 3.48Å; Q183-I191 VanDerWaalsContact CB-CG2 3.48Å; Q183-I191 HydrophobicContact CG-CG2 4.47Å; I185-I191 HydrophobicContact CG1-CG1 4.43Å; I191-S193 VanDerWaalsContact C-N 3.33Å |
| 192 | G | 93.4 | Very high | 92.2 | Very high | 40 Ų | 40 | 55.9 Ų | 55.9 | 41% | 0.412 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.1 | 13.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | K184 | K184-G192 PolarHBondContact O-N 2.94Š|
| 193 | S | 93.8 | Very high | 92.1 | Very high | 34 Ų | 34 | 56 Ų | 56 | 24% | 0.238 | 32% | 0.316 | C | S | . | . | trans | -74.5 | 156.3 | 172.9 | 78.8 | 0 | 0 | 0 | 0 | 111.4 | G186 D188 I190 I191 A195 | G186-S193 WeakPolarHBondContact CA-OG 3.46Å; D188-S193 PolarHBondContact OD1-OG 3.41Å; D188-S193 PolarHBondContact OD2-OG 2.93Å; I190-S193 PolarHBondContact O-OG 3.38Å; I191-S193 VanDerWaalsContact C-N 3.33Å; S193-A195 PolarHBondContact O-N 3.36Å; S193-A195 PolarHBondContact OG-N 3.34Å | ||
| 194 | S | 93.1 | Very high | 92.1 | Very high | 114 Ų | 114 | 58.3 Ų | 58.3 | 80% | 0.797 | 33% | 0.331 | S | S | * | . | trans | -79.3 | -2.3 | 173.4 | 53.8 | 0 | 0 | 0 | 0 | 113.1 | K196 | S194-K196 PolarHBondContact O-N 3.48Š| ||
| 195 | A | 93.7 | Very high | 92 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 5% | 0.05 | 32% | 0.317 | C | S | . | . | trans | -69.7 | 124.5 | -174 | 0 | 0 | 0 | 0 | 0 | 111.3 | G186 C187 D188 S193 N204 | G186-A195 WeakPolarHBondContact CA-O 3.37Å; C187-A195 PolarHBondContact N-O 2.93Å; D188-A195 HydrophobicContact CB-CB 4.2Å; D188-A195 WeakPolarHBondContact OD2-CB 3.4Å; S193-A195 PolarHBondContact O-N 3.36Å; S193-A195 PolarHBondContact OG-N 3.34Å; A195-N204 WeakPolarHBondContact CA-OD1 3.42Å | ||
| 196 | K | 92.8 | Very high | 92.1 | Very high | 150 Ų | 150 | 56.3 Ų | 56.3 | 65% | 0.652 | 33% | 0.333 | S | S | * | . | trans | -128 | 145.7 | -178.4 | -66.9 | 176.1 | -173.5 | 176.9 | 0 | 110.4 | C187 S194 N204 | C187-K196 PolarHBondContact SG-N 2.92Å; C187-K196 VanDerWaalsContact SG-N 3.36Å; C187-K196 PolarHBondContact SG-O 2.91Å; C187-K196 VanDerWaalsContact SG-O 3.41Å; S194-K196 PolarHBondContact O-N 3.48Å; K196-N204 PolarHBondContact N-OD1 2.91Å; K196-N204 PolarHBondContact O-N 3.36Å | ||
| 197 | E | 90.8 | Very high | 91.9 | Very high | 103 Ų | 103 | 56 Ų | 56 | 48% | 0.481 | 33% | 0.33 | S | S | . | . | B | Isolated β-bridge | trans | -60.7 | 136.2 | 166.3 | -67.2 | 179.8 | 170.6 | 0 | 0 | 108.4 | C187 V202 K229 | C187-E197 HydrophobicContact CB-CG 3.79Å; E197-V202 WeakPolarHBondContact CA-O 3.28Å; E197-K229 IonicContact OE1-NZ 3.03Å; E197-K229 PolarHBondContact OE1-NZ 3Å; E197-K229 VanDerWaalsContact OE1-NZ 3.13Å; E197-K229 IonicContact OE2-NZ 3.13Å; E197-K229 PolarHBondContact OE2-NZ 2.94Å; E197-K229 VanDerWaalsContact OE2-NZ 3.14Å |
| 198 | D | 88.6 | Confident | 91.8 | Very high | 25 Ų | 25 | 61.5 Ų | 61.5 | 13% | 0.134 | 35% | 0.349 | C | S | . | . | trans | -73.7 | -177.5 | 168.9 | 72.6 | -0.2 | 0 | 0 | 0 | 110.7 | C200 G201 V202 G205 G207 | D198-C200 PolarHBondContact O-N 2.72Å; D198-C200 VanDerWaalsContact OD1-CA 3.24Å; D198-C200 WeakPolarHBondContact OD1-CA 3.31Å; D198-C200 VanDerWaalsContact OD1-CB 3.28Å; D198-C200 WeakPolarHBondContact OD1-CB 3.31Å; D198-C200 PolarHBondContact OD1-N 3.19Å; D198-G201 PolarHBondContact O-N 2.73Å; D198-G201 PolarHBondContact OD1-N 3.34Å; D198-G201 VanDerWaalsContact OD1-N 3.12Å; D198-V202 PolarHBondContact N-O 3.29Å; D198-V202 PolarHBondContact OD1-N 2.95Å; D198-G205 WeakPolarHBondContact CB-O 3.31Å; D198-G205 WeakPolarHBondContact OD2-CA 3.41Å; D198-G207 WeakPolarHBondContact OD2-CA 3.38Å; D198-G207 PolarHBondContact OD2-N 2.94Å | ||
| 199 | R | 86.1 | Confident | 91.7 | Very high | 129 Ų | 129 | 62.2 Ų | 62.2 | 49% | 0.487 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 12 | 173.9 | 65.3 | 156.5 | 178.8 | -90.2 | -3.7 | 114.3 | G207 C210 I212 Y245 | R199-G207 PolarHBondContact NE-O 3.24Å; R199-G207 VanDerWaalsContact NH2-C 3.29Å; R199-G207 PolarHBondContact NH2-O 3.03Å; R199-C210 PolarHBondContact O-SG 2.98Å; R199-I212 HydrophobicContact CB-CD1 4.44Å; R199-Y245 WeakPolarHBondContact CA-OH 3.43Å; R199-Y245 WeakPolarHBondContact O-CE1 3.5Å; R199-Y245 PolarHBondContact O-OH 3.29Å |
| 200 | C | 86.6 | Confident | 91.3 | Very high | 21 Ų | 21 | 62.8 Ų | 62.8 | 14% | 0.142 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.9 | 5.4 | 176.5 | -64.1 | 0 | 0 | 0 | 0 | 111.4 | D198 V202 G207 S209 C210 | D198-C200 PolarHBondContact O-N 2.72Å; D198-C200 VanDerWaalsContact OD1-CA 3.24Å; D198-C200 WeakPolarHBondContact OD1-CA 3.31Å; D198-C200 VanDerWaalsContact OD1-CB 3.28Å; D198-C200 WeakPolarHBondContact OD1-CB 3.31Å; D198-C200 PolarHBondContact OD1-N 3.19Å; C200-V202 HydrophobicContact CB-CG2 4.34Å; C200-V202 PolarHBondContact O-N 3.04Å; C200-G207 PolarHBondContact SG-O 3.46Å; C200-S209 WeakPolarHBondContact CB-OG 3.31Å; C200-C210 WeakPolarHBondContact CA-SG 3.43Å; C200-C210 HydrophobicContact CB-CB 3.62Å; C200-C210 WeakPolarHBondContact CB-SG 3.37Å; C200-C210 VanDerWaalsContact SG-CA 3.54Å; C200-C210 WeakPolarHBondContact SG-CB 3.5Å; C200-C210 PolarHBondContact SG-N 3.01Å; C200-C210 CovalentContact SG-SG 2.03Å; C200-C210 PolarHBondContact SG-SG 3.46Å |
| 201 | G | 87.9 | Confident | 90.9 | Very high | 34 Ų | 34 | 70.8 Ų | 70.8 | 35% | 0.351 | 39% | 0.394 | S | S | . | . | S | Bend | trans | 76.6 | 8.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D198 | D198-G201 PolarHBondContact O-N 2.73Å; D198-G201 PolarHBondContact OD1-N 3.34Å; D198-G201 VanDerWaalsContact OD1-N 3.12Å |
| 202 | V | 91 | Very high | 89.9 | Confident | 64 Ų | 64 | 73.6 Ų | 73.6 | 39% | 0.388 | 41% | 0.409 | S | S | . | . | trans | -90.7 | 127.7 | 179.7 | -179 | 0 | 0 | 0 | 0 | 109.5 | E197 D198 C200 N204 G205 S209 | E197-V202 WeakPolarHBondContact CA-O 3.28Å; D198-V202 PolarHBondContact N-O 3.29Å; D198-V202 PolarHBondContact OD1-N 2.95Å; C200-V202 HydrophobicContact CB-CG2 4.34Å; C200-V202 PolarHBondContact O-N 3.04Å; V202-N204 PolarHBondContact O-N 2.95Å; V202-G205 PolarHBondContact O-N 3.5Å; V202-G205 VanDerWaalsContact O-N 3.15Å; V202-S209 WeakPolarHBondContact CG2-OG 3.26Å | ||
| 203 | C | 93.4 | Very high | 89.2 | Confident | 49 Ų | 49 | 77.4 Ų | 77.4 | 33% | 0.331 | 42% | 0.418 | S | S | . | . | B | Isolated β-bridge | trans | -64.7 | 123 | -179.2 | -171.1 | 0 | 0 | 0 | 0 | 111.7 | C187 D188 G205 | C187-C203 HydrophobicContact CB-CB 3.55Å; C187-C203 WeakPolarHBondContact CB-SG 3.38Å; C187-C203 WeakPolarHBondContact SG-CA 3.43Å; C187-C203 WeakPolarHBondContact SG-CB 3.5Å; C187-C203 CovalentContact SG-SG 2.02Å; C187-C203 PolarHBondContact SG-SG 3.45Å; D188-C203 PolarHBondContact N-SG 3.43Å; D188-C203 VanDerWaalsContact N-SG 3.38Å; C203-G205 PolarHBondContact O-N 3.48Å; C203-G205 VanDerWaalsContact O-N 3.12Å |
| 204 | N | 94.4 | Very high | 88.3 | Confident | 114 Ų | 114 | 82.4 Ų | 82.4 | 61% | 0.61 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.9 | 31.1 | -173.3 | -64 | -27.4 | 0 | 0 | 0 | 113.4 | A195 K196 V202 | A195-N204 WeakPolarHBondContact CA-OD1 3.42Å; K196-N204 PolarHBondContact N-OD1 2.91Å; K196-N204 PolarHBondContact O-N 3.36Å; V202-N204 PolarHBondContact O-N 2.95Å |
| 205 | G | 91.7 | Very high | 87 | Confident | 29 Ų | 29 | 80.4 Ų | 80.4 | 30% | 0.299 | 43% | 0.433 | S | S | . | . | trans | -74.7 | 165.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D198 V202 C203 G207 | D198-G205 WeakPolarHBondContact CB-O 3.31Å; D198-G205 WeakPolarHBondContact OD2-CA 3.41Å; V202-G205 PolarHBondContact O-N 3.5Å; V202-G205 VanDerWaalsContact O-N 3.15Å; C203-G205 PolarHBondContact O-N 3.48Å; C203-G205 VanDerWaalsContact O-N 3.12Å; G205-G207 VanDerWaalsContact C-N 3.33Å | ||
| 206 | D | 94.1 | Very high | 85.5 | Confident | 98 Ų | 98 | 88.2 Ų | 88.2 | 52% | 0.524 | 47% | 0.474 | S | S | . | . | trans | -91.6 | 3.8 | 178.5 | 74.5 | -16.3 | 0 | 0 | 0 | 113.1 | K208 | D206-K208 VanDerWaalsContact C-N 3.27Å; D206-K208 PolarHBondContact O-N 3.01Å; D206-K208 WeakPolarHBondContact OD1-CB 3.47Å; D206-K208 PolarHBondContact OD1-N 3.24Å; D206-K208 VanDerWaalsContact OD1-N 3.08Å; D206-K208 WeakPolarHBondContact OD2-CD 3.4Å; D206-K208 WeakPolarHBondContact OD2-CE 3.32Å; D206-K208 WeakPolarHBondContact OD2-CG 3.29Å; D206-K208 IonicContact OD2-NZ 2.91Å; D206-K208 PolarHBondContact OD2-NZ 3.48Å | ||
| 207 | G | 89.2 | Confident | 83.6 | Confident | 2 Ų | 2 | 89.3 Ų | 89.3 | 2% | 0.021 | 48% | 0.479 | C | S | . | . | S | Bend | trans | 71.8 | 14.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D198 R199 C200 G205 | D198-G207 WeakPolarHBondContact OD2-CA 3.38Å; D198-G207 PolarHBondContact OD2-N 2.94Å; R199-G207 PolarHBondContact NE-O 3.24Å; R199-G207 VanDerWaalsContact NH2-C 3.29Å; R199-G207 PolarHBondContact NH2-O 3.03Å; C200-G207 PolarHBondContact SG-O 3.46Å; G205-G207 VanDerWaalsContact C-N 3.33Å |
| 208 | K | 90.7 | Very high | 81.3 | Confident | 159 Ų | 159 | 89.9 Ų | 89.9 | 69% | 0.691 | 49% | 0.485 | S | S | * | . | trans | -98.1 | -9.2 | -179 | -59.8 | -175.6 | -160.3 | 139.7 | 0 | 114 | D206 C210 | D206-K208 VanDerWaalsContact C-N 3.27Å; D206-K208 PolarHBondContact O-N 3.01Å; D206-K208 WeakPolarHBondContact OD1-CB 3.47Å; D206-K208 PolarHBondContact OD1-N 3.24Å; D206-K208 VanDerWaalsContact OD1-N 3.08Å; D206-K208 WeakPolarHBondContact OD2-CD 3.4Å; D206-K208 WeakPolarHBondContact OD2-CE 3.32Å; D206-K208 WeakPolarHBondContact OD2-CG 3.29Å; D206-K208 IonicContact OD2-NZ 2.91Å; D206-K208 PolarHBondContact OD2-NZ 3.48Å; K208-C210 PolarHBondContact O-N 3.25Å | ||
| 209 | S | 89.4 | Confident | 79.7 | Confident | 81 Ų | 81 | 97 Ų | 97 | 57% | 0.566 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -70.4 | -13.5 | 178.4 | 55.9 | 0 | 0 | 0 | 0 | 113.7 | C200 V202 | C200-S209 WeakPolarHBondContact CB-OG 3.31Å; V202-S209 WeakPolarHBondContact CG2-OG 3.26Å |
| 210 | C | 86.5 | Confident | 77.8 | Confident | 30 Ų | 30 | 96.3 Ų | 96.3 | 20% | 0.203 | 53% | 0.528 | C | S | . | . | S | Bend | trans | -138.3 | 163.3 | 177.7 | 78.3 | 0 | 0 | 0 | 0 | 111.2 | R199 C200 K208 | R199-C210 PolarHBondContact O-SG 2.98Å; C200-C210 WeakPolarHBondContact CA-SG 3.43Å; C200-C210 HydrophobicContact CB-CB 3.62Å; C200-C210 WeakPolarHBondContact CB-SG 3.37Å; C200-C210 VanDerWaalsContact SG-CA 3.54Å; C200-C210 WeakPolarHBondContact SG-CB 3.5Å; C200-C210 PolarHBondContact SG-N 3.01Å; C200-C210 CovalentContact SG-SG 2.03Å; C200-C210 PolarHBondContact SG-SG 3.46Å; K208-C210 PolarHBondContact O-N 3.25Å |
| 211 | K | 86.1 | Confident | 75.7 | Confident | 190 Ų | 190 | 106.1 Ų | 106.1 | 83% | 0.826 | 56% | 0.562 | S | S | * | * | trans | -113 | 131.2 | 168 | -66.2 | -177.6 | -179.2 | 178.2 | 0 | 108.5 | I213 | K211-I213 PolarHBondContact O-N 3.27Š| ||
| 212 | I | 74.3 | Confident | 73.6 | Confident | 74 Ų | 74 | 108.2 Ų | 108.2 | 38% | 0.379 | 58% | 0.583 | S | S | . | * | P | Polyproline II helix | trans | -74.3 | 118.5 | 172.5 | -59.7 | -178 | 0 | 0 | 0 | 107.6 | R199 K214 | R199-I212 HydrophobicContact CB-CD1 4.44Å; I212-K214 HydrophobicContact CG2-CG 4.15Å |
| 213 | I | 80.2 | Confident | 70.9 | Confident | 119 Ų | 119 | 114.7 Ų | 114.7 | 61% | 0.61 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 116.3 | 171.7 | -53.6 | 175.8 | 0 | 0 | 0 | 106.6 | K211 L246 | K211-I213 PolarHBondContact O-N 3.27Å; I213-L246 HydrophobicContact CD1-CD1 4.29Å |
| 214 | K | 73.8 | Confident | 68.1 | Low | 139 Ų | 139 | 115.3 Ų | 115.3 | 60% | 0.604 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 132.2 | 171.6 | -66.4 | -171.5 | 175.4 | -169.8 | 0 | 108.6 | I212 E241 | I212-K214 HydrophobicContact CG2-CG 4.15Å; K214-E241 IonicContact NZ-OE1 3.08Å; K214-E241 PolarHBondContact NZ-OE1 3.18Å; K214-E241 IonicContact NZ-OE2 2.64Å; K214-E241 PolarHBondContact NZ-OE2 3.41Å |
| 215 | G | 66.9 | Low | 65.2 | Low | 72 Ų | 72 | 119.4 Ų | 119.4 | 74% | 0.742 | 64% | 0.641 | S | S | * | * | trans | -163.7 | 154.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 216 | D | 61.7 | Low | 62.7 | Low | 170 Ų | 170 | 122.9 Ų | 122.9 | 91% | 0.909 | 65% | 0.653 | S | S | * | * | trans | -81.9 | 122.1 | 178.4 | -65.9 | -52.5 | 0 | 0 | 0 | 110.7 | N218 | D216-N218 PolarHBondContact O-N 2.94Š| ||
| 217 | F | 52.3 | Low | 59.8 | Low | 173 Ų | 173 | 123.1 Ų | 123.1 | 76% | 0.759 | 67% | 0.668 | S | S | * | * | trans | -83.4 | 104.6 | -178.9 | -148.5 | -92.3 | 0 | 0 | 0 | 110.1 | ||||
| 218 | N | 43.3 | Very low | 57.1 | Low | 115 Ų | 115 | 132.4 Ų | 132.4 | 62% | 0.615 | 71% | 0.708 | S | S | * | * | trans | -93.7 | 112.9 | 170.4 | -168.4 | -19.3 | 0 | 0 | 0 | 109.6 | D216 T220 | D216-N218 PolarHBondContact O-N 2.94Å; N218-T220 PolarHBondContact O-N 3.47Å; N218-T220 PolarHBondContact OD1-OG1 3.38Å | ||
| 219 | H | 55.3 | Low | 54.4 | Low | 175 Ų | 175 | 132.5 Ų | 132.5 | 81% | 0.81 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 2.6 | -171.2 | -147.1 | -72.6 | 0 | 0 | 0 | 115.1 | ||
| 220 | T | 45.5 | Very low | 51.6 | Low | 114 Ų | 114 | 139.9 Ų | 139.9 | 70% | 0.699 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -9 | -173.2 | 48.7 | 0 | 0 | 0 | 0 | 114.8 | N218 | N218-T220 PolarHBondContact O-N 3.47Å; N218-T220 PolarHBondContact OD1-OG1 3.38Å |
| 221 | R | 42.5 | Very low | 49 | Very low | 228 Ų | 228 | 146.4 Ų | 146.4 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -126.8 | 94.1 | 177.7 | -71.7 | -177.5 | 173 | 171.5 | -1.6 | 110.6 | ||
| 222 | G | 42.5 | Very low | 46.4 | Very low | 77 Ų | 77 | 143.8 Ų | 143.8 | 79% | 0.794 | 74% | 0.736 | S | S | * | * | trans | -72 | 130.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 223 | M | 36.2 | Very low | 44.4 | Very low | 201 Ų | 201 | 149.4 Ų | 149.4 | 99% | 0.99 | 76% | 0.761 | S | S | * | * | -177.3 | 132 | 117.8 | -139.7 | 179.7 | -83.2 | 0 | 0 | 109.3 | |||||
| 224 | G | 33.1 | Very low | 42.2 | Very low | 61 Ų | 61 | 151.6 Ų | 151.6 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | trans | 152.3 | 103.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | L226 | G224-L226 VanDerWaalsContact C-N 3.29Å; G224-L226 PolarHBondContact O-N 3.32Å | ||
| 225 | E | 34.7 | Very low | 40.2 | Very low | 201 Ų | 201 | 150.8 Ų | 150.8 | 94% | 0.939 | 77% | 0.774 | S | S | * | * | trans | -59.9 | 93.7 | 173.4 | -72.3 | -174.9 | 146.3 | 0 | 0 | 109.2 | A227 | E225-A227 PolarHBondContact O-N 3.01Å; E225-A227 VanDerWaalsContact O-N 3.11Å | ||
| 226 | L | 38.8 | Very low | 38.7 | Very low | 102 Ų | 102 | 157 Ų | 157 | 53% | 0.534 | 78% | 0.775 | S | S | . | * | trans | -58.7 | 114.1 | 163.8 | -74.3 | 161.8 | 0 | 0 | 0 | 106.5 | G224 K228 F244 | G224-L226 VanDerWaalsContact C-N 3.29Å; G224-L226 PolarHBondContact O-N 3.32Å; L226-K228 PolarHBondContact O-N 2.96Å; L226-F244 HydrophobicContact CD2-CD1 4.32Å | ||
| 227 | A | 33.2 | Very low | 37.3 | Very low | 102 Ų | 102 | 157.5 Ų | 157.5 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | trans | -56.4 | 97.4 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.2 | E225 K229 | E225-A227 PolarHBondContact O-N 3.01Å; E225-A227 VanDerWaalsContact O-N 3.11Å; A227-K229 PolarHBondContact O-N 3.48Å | ||
| 228 | K | 31.9 | Very low | 36.3 | Very low | 198 Ų | 198 | 160.3 Ų | 160.3 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -63.9 | 85.2 | 174.3 | -72.8 | -177.7 | 176.7 | 179 | 0 | 108.1 | L226 R230 | L226-K228 PolarHBondContact O-N 2.96Å; K228-R230 PolarHBondContact O-N 2.97Å; K228-R230 VanDerWaalsContact O-N 3.13Å | ||
| 229 | K | 33.9 | Very low | 35.7 | Very low | 161 Ų | 161 | 163.9 Ų | 163.9 | 70% | 0.7 | 79% | 0.79 | S | S | * | * | trans | -65.1 | 111.5 | 155.5 | -159.8 | 175.5 | -174.6 | 177.6 | 0 | 103.9 | E197 A227 E231 | E197-K229 IonicContact OE1-NZ 3.03Å; E197-K229 PolarHBondContact OE1-NZ 3Å; E197-K229 VanDerWaalsContact OE1-NZ 3.13Å; E197-K229 IonicContact OE2-NZ 3.13Å; E197-K229 PolarHBondContact OE2-NZ 2.94Å; E197-K229 VanDerWaalsContact OE2-NZ 3.14Å; A227-K229 PolarHBondContact O-N 3.48Å; K229-E231 PolarHBondContact O-N 3.28Å | ||
| 230 | R | 30.8 | Very low | 34.6 | Very low | 235 Ų | 235 | 161.6 Ų | 161.6 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | trans | -39.5 | 112.3 | -175.1 | -77 | -179.4 | 177.5 | -159.4 | -0.2 | 110.6 | K228 R232 | K228-R230 PolarHBondContact O-N 2.97Å; K228-R230 VanDerWaalsContact O-N 3.13Å; R230-R232 PolarHBondContact O-N 2.91Å; R230-R232 VanDerWaalsContact O-N 3.13Å | ||
| 231 | E | 32.2 | Very low | 33.9 | Very low | 167 Ų | 167 | 162.7 Ų | 162.7 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | trans | -57 | 111.9 | 167.5 | -131.7 | 159.6 | -170.8 | 0 | 0 | 106.9 | K229 | K229-E231 PolarHBondContact O-N 3.28Š| ||
| 232 | R | 32 | Very low | 33.5 | Very low | 136 Ų | 136 | 160.9 Ų | 160.9 | 51% | 0.513 | 77% | 0.773 | S | S | . | * | trans | -91.6 | 111.7 | 157.8 | -79.8 | -168.8 | -91 | -150.7 | -6.2 | 105.5 | Y172 E173 S174 R230 I234 | Y172-R232 WeakPolarHBondContact O-CD 3.49Å; Y172-R232 PolarHBondContact O-NH1 3.13Å; E173-R232 VanDerWaalsContact C-NH1 3.27Å; S174-R232 VanDerWaalsContact OG-CZ 3.26Å; S174-R232 PolarHBondContact OG-NH1 3.09Å; S174-R232 PolarHBondContact OG-NH2 3.15Å; R230-R232 PolarHBondContact O-N 2.91Å; R230-R232 VanDerWaalsContact O-N 3.13Å; R232-I234 PolarHBondContact O-N 3.18Å | ||
| 233 | E | 32.7 | Very low | 33 | Very low | 192 Ų | 192 | 159.2 Ų | 159.2 | 90% | 0.897 | 75% | 0.749 | S | S | * | * | trans | -46 | 103.3 | 167.9 | -89.7 | 170.9 | 137.1 | 0 | 0 | 109.2 | ||||
| 234 | I | 32.4 | Very low | 33.4 | Very low | 165 Ų | 165 | 155.5 Ų | 155.5 | 85% | 0.846 | 73% | 0.727 | S | S | * | * | trans | -109.9 | 98.5 | 158.2 | -62.9 | 175.4 | 0 | 0 | 0 | 104.2 | R232 | R232-I234 PolarHBondContact O-N 3.18Š| ||
| 235 | D | 32.6 | Very low | 33.6 | Very low | 121 Ų | 121 | 158.4 Ų | 158.4 | 65% | 0.647 | 72% | 0.72 | S | S | * | * | trans | -123.5 | 120 | 163.7 | -159.3 | 27 | 0 | 0 | 0 | 104.8 | ||||
| 236 | R | 34.9 | Very low | 33.6 | Very low | 202 Ų | 202 | 155.1 Ų | 155.1 | 76% | 0.762 | 71% | 0.708 | S | S | * | * | S | Bend | -154.6 | 151.5 | 52.3 | -78.6 | 174.2 | -81.7 | -110.6 | 0.2 | 111.6 | |||
| 237 | H | 31.7 | Very low | 33.2 | Very low | 182 Ų | 182 | 154.7 Ų | 154.7 | 84% | 0.843 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 89.7 | 56.7 | 169 | -62.1 | -8.7 | 0 | 0 | 0 | 118.1 | ||
| 238 | R | 32.7 | Very low | 33 | Very low | 231 Ų | 231 | 158 Ų | 158 | 87% | 0.872 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -149.6 | 133.8 | 140 | -144 | 168.9 | -77.5 | -155 | -3.1 | 108.8 | I240 | R238-I240 PolarHBondContact O-N 3.33Š|
| 239 | E | 31.2 | Very low | 33.1 | Very low | 191 Ų | 191 | 160.2 Ų | 160.2 | 89% | 0.893 | 74% | 0.742 | S | S | * | * | trans | -44.5 | 122.4 | 177.6 | -72.7 | 167 | 147.4 | 0 | 0 | 110.4 | E241 | E239-E241 VanDerWaalsContact C-N 3.32Å; E239-E241 PolarHBondContact O-N 3.27Å | ||
| 240 | I | 31.3 | Very low | 33.1 | Very low | 126 Ų | 126 | 160.2 Ų | 160.2 | 65% | 0.646 | 74% | 0.744 | S | S | * | * | trans | -77.7 | 84.4 | -175.6 | -52.2 | 176.9 | 0 | 0 | 0 | 108.1 | R238 R242 | R238-I240 PolarHBondContact O-N 3.33Å; I240-R242 VanDerWaalsContact C-N 3.33Å; I240-R242 HydrophobicContact CG2-CB 4.48Å; I240-R242 HydrophobicContact CG2-CG 3.37Å; I240-R242 PolarHBondContact O-N 3.22Å; I240-R242 VanDerWaalsContact O-N 3.13Å | ||
| 241 | E | 30.3 | Very low | 33.2 | Very low | 138 Ų | 138 | 156.2 Ų | 156.2 | 65% | 0.645 | 74% | 0.737 | S | S | * | * | trans | -72.7 | 94.5 | 153.5 | -77 | -154.1 | 146.2 | 0 | 0 | 107.7 | K214 E239 C243 | K214-E241 IonicContact NZ-OE1 3.08Å; K214-E241 PolarHBondContact NZ-OE1 3.18Å; K214-E241 IonicContact NZ-OE2 2.64Å; K214-E241 PolarHBondContact NZ-OE2 3.41Å; E239-E241 VanDerWaalsContact C-N 3.32Å; E239-E241 PolarHBondContact O-N 3.27Å; E241-C243 VanDerWaalsContact C-N 3.26Å; E241-C243 PolarHBondContact O-N 3.03Å | ||
| 242 | R | 34.5 | Very low | 33.3 | Very low | 190 Ų | 190 | 155.6 Ų | 155.6 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | trans | -67.1 | 82.6 | 172.3 | -66.9 | -171.6 | 176 | -177.2 | -3.3 | 109.8 | I240 F244 | I240-R242 VanDerWaalsContact C-N 3.33Å; I240-R242 HydrophobicContact CG2-CB 4.48Å; I240-R242 HydrophobicContact CG2-CG 3.37Å; I240-R242 PolarHBondContact O-N 3.22Å; I240-R242 VanDerWaalsContact O-N 3.13Å; R242-F244 HydrophobicContact CB-CD2 4.4Å; R242-F244 HydrophobicContact CB-CE2 4.12Å; R242-F244 PolarHBondContact O-N 2.75Å | ||
| 243 | C | 32.3 | Very low | 33.4 | Very low | 41 Ų | 41 | 156.8 Ų | 156.8 | 28% | 0.277 | 75% | 0.747 | S | S | . | * | trans | -85.1 | 106.1 | 167.9 | -68.8 | 0 | 0 | 0 | 0 | 109.1 | E241 | E241-C243 VanDerWaalsContact C-N 3.26Å; E241-C243 PolarHBondContact O-N 3.03Å | ||
| 244 | F | 44.2 | Very low | 33.4 | Very low | 123 Ų | 123 | 154.6 Ų | 154.6 | 54% | 0.539 | 74% | 0.738 | S | S | . | * | trans | -93.6 | 134.3 | 167.4 | -74.4 | -83.7 | 0 | 0 | 0 | 110 | L226 R242 | L226-F244 HydrophobicContact CD2-CD1 4.32Å; R242-F244 HydrophobicContact CB-CD2 4.4Å; R242-F244 HydrophobicContact CB-CE2 4.12Å; R242-F244 PolarHBondContact O-N 2.75Å | ||
| 245 | Y | 37.3 | Very low | 33.5 | Very low | 122 Ų | 122 | 153.9 Ų | 153.9 | 48% | 0.478 | 73% | 0.731 | S | S | . | * | trans | -87.8 | 121.5 | 178.5 | -60.1 | -62.9 | 0 | 0 | 0 | 110.7 | R199 | R199-Y245 WeakPolarHBondContact CA-OH 3.43Å; R199-Y245 WeakPolarHBondContact O-CE1 3.5Å; R199-Y245 PolarHBondContact O-OH 3.29Å | ||
| 246 | L | 34.6 | Very low | 33.5 | Very low | 132 Ų | 132 | 156.2 Ų | 156.2 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | trans | -89.9 | 109.7 | 162.2 | -95.2 | 147 | 0 | 0 | 0 | 107.7 | I213 L248 | I213-L246 HydrophobicContact CD1-CD1 4.29Å; L246-L248 PolarHBondContact O-N 3.25Å | ||
| 247 | A | 29.5 | Very low | 33.4 | Very low | 94 Ų | 94 | 152.7 Ų | 152.7 | 78% | 0.777 | 74% | 0.735 | S | S | * | * | trans | -71.9 | 110.4 | 162 | 0 | 0 | 0 | 0 | 0 | 107.1 | L249 | A247-L249 PolarHBondContact O-N 2.94Š| ||
| 248 | L | 30.6 | Very low | 33.6 | Very low | 172 Ų | 172 | 150.3 Ų | 150.3 | 90% | 0.901 | 73% | 0.726 | S | S | * | * | trans | -71.1 | 116.3 | 167.4 | -80.1 | 157.5 | 0 | 0 | 0 | 107.2 | L246 | L246-L248 PolarHBondContact O-N 3.25Š| ||
| 249 | L | 34.1 | Very low | 33.6 | Very low | 243 Ų | 243 | 142.9 Ų | 142.9 | 100% | 1.272 | 71% | 0.712 | S | S | * | * | trans | -67.6 | 0 | 161.3 | -80.2 | 166.1 | 0 | 0 | 0 | 110 | A247 | A247-L249 PolarHBondContact O-N 2.94Š|
Retrieved 249 of 249 residues in 45.8 ms
(Link to these results)