| 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 | 34.7 | Very low | 36 | Very low | 230 Ų | 230 | 176.8 Ų | 176.8 | 100% | 1.133 | 85% | 0.852 | S | S | * | * | 0 | 142 | 0 | -65 | 79.4 | 173.3 | 0 | 0 | 107.3 | |||||
| 2 | R | 34.3 | Very low | 36.7 | Very low | 239 Ų | 239 | 167.7 Ų | 167.7 | 90% | 0.902 | 84% | 0.839 | S | S | * | * | 54 | 124.9 | 65.2 | -74.9 | -171.3 | -175.9 | -178 | 2.3 | 110.6 | |||||
| 3 | V | 32.8 | Very low | 37.4 | Very low | 134 Ų | 134 | 164.7 Ų | 164.7 | 81% | 0.812 | 83% | 0.826 | S | S | * | * | cis | -138.6 | 169.6 | 12.7 | -176.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 4 | M | 36.3 | Very low | 38.3 | Very low | 166 Ų | 166 | 160.5 Ų | 160.5 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -61 | 160.5 | 176.9 | -60.9 | 158.2 | 156.9 | 0 | 0 | 115.7 | ||||
| 5 | S | 28.7 | Very low | 39 | Very low | 114 Ų | 114 | 164.3 Ų | 164.3 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | trans | -142.6 | 141.9 | 136.4 | -172.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 6 | W | 33.8 | Very low | 40 | Very low | 218 Ų | 218 | 158.6 Ų | 158.6 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | -113 | 128.4 | 178.1 | -97.4 | 24.2 | 0 | 0 | 0 | 109.7 | ||||
| 7 | T | 37 | Very low | 40.8 | Very low | 138 Ų | 138 | 155.9 Ų | 155.9 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | trans | -111.4 | 120.6 | 162.5 | 43.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 8 | R | 38.1 | Very low | 41.8 | Very low | 213 Ų | 213 | 151.2 Ų | 151.2 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | trans | -75.4 | 141.7 | -178.6 | -67.8 | 177.5 | 174 | 178.1 | -3.3 | 110.9 | ||||
| 9 | P | 37.9 | Very low | 42.7 | Very low | 110 Ų | 110 | 148.9 Ų | 148.9 | 71% | 0.714 | 75% | 0.749 | S | S | * | * | trans | -72 | 132.5 | 166.6 | 30.4 | -32.9 | 0 | 0 | 0 | 110.5 | H11 | P9-H11 PolarHBondContact O-N 3.41Å; P9-H11 VanDerWaalsContact O-N 3.16Å | ||
| 10 | F | 35.8 | Very low | 43.7 | Very low | 215 Ų | 215 | 148.1 Ų | 148.1 | 94% | 0.943 | 74% | 0.74 | S | S | * | * | trans | -83 | 80.3 | 171.9 | -103.8 | -90.7 | 0 | 0 | 0 | 110.3 | ||||
| 11 | H | 46.6 | Very low | 44.6 | Very low | 168 Ų | 168 | 148.6 Ų | 148.6 | 78% | 0.778 | 74% | 0.735 | S | S | * | * | trans | -76.7 | 126.9 | 162 | -94.7 | -65.7 | 0 | 0 | 0 | 109.4 | P9 | P9-H11 PolarHBondContact O-N 3.41Å; P9-H11 VanDerWaalsContact O-N 3.16Å | ||
| 12 | G | 44.8 | Very low | 45.8 | Very low | 67 Ų | 67 | 142.3 Ų | 142.3 | 69% | 0.691 | 71% | 0.705 | S | S | * | * | trans | 174.8 | -8.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 13 | L | 45.6 | Very low | 47.2 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 68% | 0.675 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -118.4 | -18.8 | -174.2 | -106.2 | 76.4 | 0 | 0 | 0 | 116.7 | W15 S16 | L13-W15 PolarHBondContact O-N 2.9Å; L13-S16 PolarHBondContact O-OG 2.65Å |
| 14 | D | 50.6 | Low | 48.5 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 57% | 0.567 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -71.1 | -27.6 | -168.8 | -57.9 | -64.9 | 0 | 0 | 0 | 115 | H17 S18 | D14-H17 PolarHBondContact O-N 3.41Å; D14-S18 VanDerWaalsContact O-CB 3.28Å; D14-S18 WeakPolarHBondContact O-CB 3.49Å; D14-S18 PolarHBondContact O-N 3.46Å |
| 15 | W | 47.8 | Very low | 49.5 | Very low | 218 Ų | 218 | 128.8 Ų | 128.8 | 83% | 0.826 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -70.4 | -36.8 | -170.2 | -79.8 | 48.9 | 0 | 0 | 0 | 113.2 | L13 L19 | L13-W15 PolarHBondContact O-N 2.9Å; W15-L19 WeakPolarHBondContact O-CB 3.29Å; W15-L19 VanDerWaalsContact O-CG 3.29Å; W15-L19 WeakPolarHBondContact O-CG 3.25Å; W15-L19 PolarHBondContact O-N 3.36Å |
| 16 | S | 55.8 | Low | 50.9 | Low | 73 Ų | 73 | 128.3 Ų | 128.3 | 51% | 0.51 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -67.4 | -44.4 | 177.3 | 55.6 | 0 | 0 | 0 | 0 | 111.5 | L13 F20 | L13-S16 PolarHBondContact O-OG 2.65Å; S16-F20 VanDerWaalsContact O-CB 3.31Å; S16-F20 WeakPolarHBondContact O-CB 3.28Å; S16-F20 PolarHBondContact O-N 2.96Å |
| 17 | H | 53 | Low | 51.9 | Low | 112 Ų | 112 | 126.2 Ų | 126.2 | 52% | 0.519 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -64.9 | -44.4 | 175.7 | -72.6 | -77.3 | 0 | 0 | 0 | 111.7 | D14 L19 F20 Y21 | D14-H17 PolarHBondContact O-N 3.41Å; H17-L19 PolarHBondContact O-N 2.9Å; H17-F20 PolarHBondContact O-N 2.72Å; H17-Y21 WeakPolarHBondContact O-CD2 3.23Å; H17-Y21 PolarHBondContact O-N 2.68Å |
| 18 | S | 58.9 | Low | 52.7 | Low | 71 Ų | 71 | 122.7 Ų | 122.7 | 50% | 0.497 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -58.3 | -47.5 | 176.6 | -174.5 | 0 | 0 | 0 | 0 | 112.1 | D14 F20 Y21 L22 | D14-S18 VanDerWaalsContact O-CB 3.28Å; D14-S18 WeakPolarHBondContact O-CB 3.49Å; D14-S18 PolarHBondContact O-N 3.46Å; S18-F20 PolarHBondContact O-N 3.04Å; S18-Y21 PolarHBondContact O-N 3.44Å; S18-L22 PolarHBondContact O-N 2.96Å |
| 19 | L | 59.1 | Low | 53.3 | Low | 108 Ų | 108 | 122 Ų | 122 | 57% | 0.565 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -64.5 | -39.3 | 176.2 | -71.9 | 169.4 | 0 | 0 | 0 | 112.7 | W15 H17 L22 T23 | W15-L19 WeakPolarHBondContact O-CB 3.29Å; W15-L19 VanDerWaalsContact O-CG 3.29Å; W15-L19 WeakPolarHBondContact O-CG 3.25Å; W15-L19 PolarHBondContact O-N 3.36Å; H17-L19 PolarHBondContact O-N 2.9Å; L19-L22 PolarHBondContact O-N 2.88Å; L19-T23 PolarHBondContact O-N 3.5Å; L19-T23 PolarHBondContact O-OG1 2.99Å |
| 20 | F | 62.2 | Low | 53.7 | Low | 133 Ų | 133 | 124.8 Ų | 124.8 | 58% | 0.583 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.2 | -38.7 | 177.5 | -169 | -101.1 | 0 | 0 | 0 | 112.4 | S16 H17 S18 T23 L24 | S16-F20 VanDerWaalsContact O-CB 3.31Å; S16-F20 WeakPolarHBondContact O-CB 3.28Å; S16-F20 PolarHBondContact O-N 2.96Å; H17-F20 PolarHBondContact O-N 2.72Å; S18-F20 PolarHBondContact O-N 3.04Å; F20-T23 PolarHBondContact O-OG1 3.14Å; F20-T23 VanDerWaalsContact O-OG1 3.07Å; F20-L24 HydrophobicContact CD1-CD1 3.81Å; F20-L24 HydrophobicContact CE1-CD1 3.49Å; F20-L24 VanDerWaalsContact CE1-CD1 3.49Å; F20-L24 HydrophobicContact CZ-CD1 4.16Å; F20-L24 WeakPolarHBondContact O-CB 3.45Å; F20-L24 PolarHBondContact O-N 3.45Å; F20-L24 VanDerWaalsContact O-N 3.07Å |
| 21 | Y | 63.9 | Low | 54.1 | Low | 158 Ų | 158 | 119.5 Ų | 119.5 | 62% | 0.62 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -65.4 | -39.7 | 170.2 | -89.6 | -76.8 | 0 | 0 | 0 | 111.8 | H17 S18 L24 L25 | H17-Y21 WeakPolarHBondContact O-CD2 3.23Å; H17-Y21 PolarHBondContact O-N 2.68Å; S18-Y21 PolarHBondContact O-N 3.44Å; Y21-L24 PolarHBondContact O-N 3.24Å; Y21-L25 WeakPolarHBondContact O-CB 3.25Å; Y21-L25 WeakPolarHBondContact O-CD1 3.39Å; Y21-L25 VanDerWaalsContact O-CG 3.24Å; Y21-L25 WeakPolarHBondContact O-CG 3.5Å; Y21-L25 PolarHBondContact O-N 3.13Å |
| 22 | L | 58.1 | Low | 54.1 | Low | 98 Ų | 98 | 116.3 Ų | 116.3 | 51% | 0.513 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -62.2 | -44.6 | 176.6 | -127.5 | 87.7 | 0 | 0 | 0 | 112 | S18 L19 L25 L26 | S18-L22 PolarHBondContact O-N 2.96Å; L19-L22 PolarHBondContact O-N 2.88Å; L22-L25 PolarHBondContact O-N 2.71Å; L22-L26 WeakPolarHBondContact O-CB 3.28Å; L22-L26 VanDerWaalsContact O-CG 3.29Å; L22-L26 WeakPolarHBondContact O-CG 3.24Å; L22-L26 PolarHBondContact O-N 3.15Å |
| 23 | T | 63.9 | Low | 54 | Low | 74 Ų | 74 | 115 Ų | 115 | 45% | 0.454 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -68.1 | -36.9 | 178.5 | 54.6 | 0 | 0 | 0 | 0 | 112.1 | L19 F20 L26 W27 | L19-T23 PolarHBondContact O-N 3.5Å; L19-T23 PolarHBondContact O-OG1 2.99Å; F20-T23 PolarHBondContact O-OG1 3.14Å; F20-T23 VanDerWaalsContact O-OG1 3.07Å; T23-L26 PolarHBondContact O-N 3.41Å; T23-W27 WeakPolarHBondContact O-CB 3.45Å; T23-W27 PolarHBondContact O-N 3.38Å |
| 24 | L | 61.7 | Low | 53.7 | Low | 79 Ų | 79 | 113.7 Ų | 113.7 | 41% | 0.414 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -62.1 | -42.8 | 170.7 | -101.7 | 154.9 | 0 | 0 | 0 | 112.9 | F20 Y21 L26 W27 T28 | F20-L24 HydrophobicContact CD1-CD1 3.81Å; F20-L24 HydrophobicContact CE1-CD1 3.49Å; F20-L24 VanDerWaalsContact CE1-CD1 3.49Å; F20-L24 HydrophobicContact CZ-CD1 4.16Å; F20-L24 WeakPolarHBondContact O-CB 3.45Å; F20-L24 PolarHBondContact O-N 3.45Å; F20-L24 VanDerWaalsContact O-N 3.07Å; Y21-L24 PolarHBondContact O-N 3.24Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L24-W27 PolarHBondContact O-N 3.11Å; L24-T28 WeakPolarHBondContact O-CB 3.33Å; L24-T28 WeakPolarHBondContact O-CG2 3.32Å; L24-T28 PolarHBondContact O-N 3.17Å; L24-T28 PolarHBondContact O-OG1 3.42Å |
| 25 | L | 57.2 | Low | 53.3 | Low | 102 Ų | 102 | 111.6 Ų | 111.6 | 53% | 0.534 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.5 | -32.3 | 177.4 | -72.9 | 165.5 | 0 | 0 | 0 | 112.3 | Y21 L22 T28 R29 | Y21-L25 WeakPolarHBondContact O-CB 3.25Å; Y21-L25 WeakPolarHBondContact O-CD1 3.39Å; Y21-L25 VanDerWaalsContact O-CG 3.24Å; Y21-L25 WeakPolarHBondContact O-CG 3.5Å; Y21-L25 PolarHBondContact O-N 3.13Å; L22-L25 PolarHBondContact O-N 2.71Å; L25-T28 WeakPolarHBondContact CA-OG1 3.46Å; L25-T28 PolarHBondContact O-OG1 3.25Å; L25-R29 WeakPolarHBondContact O-CB 3.39Å; L25-R29 VanDerWaalsContact O-CG 3.29Å; L25-R29 WeakPolarHBondContact O-CG 3.31Å; L25-R29 PolarHBondContact O-N 3.3Å |
| 26 | L | 57.9 | Low | 53.3 | Low | 104 Ų | 104 | 106.3 Ų | 106.3 | 55% | 0.545 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -74.6 | -41.4 | 172.8 | -71.1 | 167.8 | 0 | 0 | 0 | 112.1 | L22 T23 L24 R30 | L22-L26 WeakPolarHBondContact O-CB 3.28Å; L22-L26 VanDerWaalsContact O-CG 3.29Å; L22-L26 WeakPolarHBondContact O-CG 3.24Å; L22-L26 PolarHBondContact O-N 3.15Å; T23-L26 PolarHBondContact O-N 3.41Å; L24-L26 VanDerWaalsContact C-N 3.34Å; L26-R30 WeakPolarHBondContact O-CB 3.31Å; L26-R30 PolarHBondContact O-N 3.29Å |
| 27 | W | 53.5 | Low | 52.6 | Low | 175 Ų | 175 | 107.2 Ų | 107.2 | 66% | 0.663 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.1 | -50.5 | 174.9 | -98.9 | 55.7 | 0 | 0 | 0 | 111.9 | T23 L24 R29 R30 M31 | T23-W27 WeakPolarHBondContact O-CB 3.45Å; T23-W27 PolarHBondContact O-N 3.38Å; L24-W27 PolarHBondContact O-N 3.11Å; W27-R29 PolarHBondContact O-N 2.76Å; W27-R30 PolarHBondContact O-N 3.17Å; W27-R30 VanDerWaalsContact O-N 3.15Å; W27-M31 WeakPolarHBondContact O-CB 3.48Å; W27-M31 WeakPolarHBondContact O-CG 3.34Å; W27-M31 PolarHBondContact O-N 3.2Å |
| 28 | T | 54.4 | Low | 52 | Low | 64 Ų | 64 | 104.9 Ų | 104.9 | 39% | 0.393 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 179.2 | 48.1 | 0 | 0 | 0 | 0 | 111.8 | L24 L25 R30 M31 N32 | L24-T28 WeakPolarHBondContact O-CB 3.33Å; L24-T28 WeakPolarHBondContact O-CG2 3.32Å; L24-T28 PolarHBondContact O-N 3.17Å; L24-T28 PolarHBondContact O-OG1 3.42Å; L25-T28 WeakPolarHBondContact CA-OG1 3.46Å; L25-T28 PolarHBondContact O-OG1 3.25Å; T28-R30 VanDerWaalsContact C-N 3.33Å; T28-R30 PolarHBondContact O-N 2.73Å; T28-M31 PolarHBondContact O-N 2.9Å; T28-N32 WeakPolarHBondContact O-CB 3.35Å; T28-N32 PolarHBondContact O-N 2.87Å; T28-N32 PolarHBondContact O-OD1 3.04Å |
| 29 | R | 50.6 | Low | 51.6 | Low | 199 Ų | 199 | 105.1 Ų | 105.1 | 75% | 0.751 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -58.1 | -41 | 172.6 | -78.8 | 179.4 | 170.7 | -170.6 | -1.9 | 113 | L25 W27 | L25-R29 WeakPolarHBondContact O-CB 3.39Å; L25-R29 VanDerWaalsContact O-CG 3.29Å; L25-R29 WeakPolarHBondContact O-CG 3.31Å; L25-R29 PolarHBondContact O-N 3.3Å; W27-R29 PolarHBondContact O-N 2.76Å |
| 30 | R | 46.6 | Very low | 51.1 | Low | 168 Ų | 168 | 101.4 Ų | 101.4 | 63% | 0.634 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -75.4 | -31 | -178.9 | -155.3 | 175.4 | -166.4 | -177.4 | 4.4 | 113 | L26 W27 T28 | L26-R30 WeakPolarHBondContact O-CB 3.31Å; L26-R30 PolarHBondContact O-N 3.29Å; W27-R30 PolarHBondContact O-N 3.17Å; W27-R30 VanDerWaalsContact O-N 3.15Å; T28-R30 VanDerWaalsContact C-N 3.33Å; T28-R30 PolarHBondContact O-N 2.73Å |
| 31 | M | 43.9 | Very low | 50.3 | Low | 104 Ų | 104 | 95.5 Ų | 95.5 | 51% | 0.512 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -74.9 | -40.7 | 176 | -68.7 | -95.2 | 65.6 | 0 | 0 | 112.3 | W27 T28 G33 L34 A35 | W27-M31 WeakPolarHBondContact O-CB 3.48Å; W27-M31 WeakPolarHBondContact O-CG 3.34Å; W27-M31 PolarHBondContact O-N 3.2Å; T28-M31 PolarHBondContact O-N 2.9Å; M31-G33 VanDerWaalsContact C-N 3.27Å; M31-G33 PolarHBondContact O-N 2.95Å; M31-L34 HydrophobicContact CE-CD1 3.99Å; M31-L34 PolarHBondContact O-N 3.34Å; M31-A35 PolarHBondContact O-N 3.27Å; M31-A35 VanDerWaalsContact O-N 3.12Å |
| 32 | N | 46.3 | Very low | 49.6 | Very low | 101 Ų | 101 | 90.1 Ų | 90.1 | 54% | 0.54 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -56.8 | -42.5 | 176.7 | -69.8 | -3.1 | 0 | 0 | 0 | 111.5 | T28 L34 A35 D36 | T28-N32 WeakPolarHBondContact O-CB 3.35Å; T28-N32 PolarHBondContact O-N 2.87Å; T28-N32 PolarHBondContact O-OD1 3.04Å; N32-L34 PolarHBondContact O-N 3.47Å; N32-L34 VanDerWaalsContact O-N 3.09Å; N32-A35 PolarHBondContact O-N 2.94Å; N32-D36 PolarHBondContact O-N 3.44Å; N32-D36 VanDerWaalsContact O-N 3.08Å |
| 33 | G | 42.2 | Very low | 49.5 | Very low | 38 Ų | 38 | 90.2 Ų | 90.2 | 39% | 0.392 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.4 | -7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | M31 F37 | M31-G33 VanDerWaalsContact C-N 3.27Å; M31-G33 PolarHBondContact O-N 2.95Å; G33-F37 WeakPolarHBondContact O-CD2 3.43Å; G33-F37 VanDerWaalsContact O-CE2 3.28Å; G33-F37 WeakPolarHBondContact O-CE2 3.44Å |
| 34 | L | 40.9 | Very low | 49.1 | Very low | 103 Ų | 103 | 88 Ų | 88 | 54% | 0.539 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -101.8 | -38.1 | 170.1 | -74.5 | 164.9 | 0 | 0 | 0 | 111.8 | M31 N32 D36 F37 | M31-L34 HydrophobicContact CE-CD1 3.99Å; M31-L34 PolarHBondContact O-N 3.34Å; N32-L34 PolarHBondContact O-N 3.47Å; N32-L34 VanDerWaalsContact O-N 3.09Å; L34-D36 VanDerWaalsContact C-N 3.27Å; L34-D36 PolarHBondContact O-N 3.12Å; L34-F37 PolarHBondContact O-N 3.05Å |
| 35 | A | 41.1 | Very low | 48.7 | Very low | 61 Ų | 61 | 88.8 Ų | 88.8 | 50% | 0.504 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.2 | -27.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | M31 N32 F37 N39 | M31-A35 PolarHBondContact O-N 3.27Å; M31-A35 VanDerWaalsContact O-N 3.12Å; N32-A35 PolarHBondContact O-N 2.94Å; A35-F37 VanDerWaalsContact C-N 3.26Å; A35-F37 PolarHBondContact O-N 3.08Å; A35-N39 PolarHBondContact O-ND2 3.39Å |
| 36 | D | 47.5 | Very low | 48.9 | Very low | 108 Ų | 108 | 87.6 Ų | 87.6 | 58% | 0.578 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -62.3 | -28.3 | 175.3 | -91.8 | -30.2 | 0 | 0 | 0 | 113.3 | N32 L34 N39 Y40 | N32-D36 PolarHBondContact O-N 3.44Å; N32-D36 VanDerWaalsContact O-N 3.08Å; L34-D36 VanDerWaalsContact C-N 3.27Å; L34-D36 PolarHBondContact O-N 3.12Å; D36-N39 PolarHBondContact O-N 3.14Å; D36-Y40 WeakPolarHBondContact O-CB 3.35Å; D36-Y40 PolarHBondContact O-N 2.96Å |
| 37 | F | 42.1 | Very low | 49.8 | Very low | 92 Ų | 92 | 85.2 Ų | 85.2 | 40% | 0.404 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -74.8 | -30 | -170.4 | -80.5 | -69.7 | 0 | 0 | 0 | 115.2 | G33 L34 A35 Y40 | G33-F37 WeakPolarHBondContact O-CD2 3.43Å; G33-F37 VanDerWaalsContact O-CE2 3.28Å; G33-F37 WeakPolarHBondContact O-CE2 3.44Å; L34-F37 PolarHBondContact O-N 3.05Å; A35-F37 VanDerWaalsContact C-N 3.26Å; A35-F37 PolarHBondContact O-N 3.08Å; F37-Y40 HydrophobicContact CD1-CD2 4.42Å; F37-Y40 VanDerWaalsContact O-CB 3.24Å; F37-Y40 WeakPolarHBondContact O-CB 3.31Å; F37-Y40 PolarHBondContact O-N 3.36Å |
| 38 | S | 39.5 | Very low | 51.2 | Low | 62 Ų | 62 | 78.2 Ų | 78.2 | 43% | 0.434 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -78.2 | -34.8 | 172.8 | 165.5 | 0 | 0 | 0 | 0 | 112 | Y40 S42 E251 | S38-Y40 PolarHBondContact O-N 2.92Å; S38-S42 PolarHBondContact O-OG 2.99Å; S38-S42 VanDerWaalsContact O-OG 3.12Å; S38-E251 VanDerWaalsContact CA-OE2 3.29Å; S38-E251 WeakPolarHBondContact CA-OE2 3.37Å; S38-E251 WeakPolarHBondContact CB-OE1 3.46Å; S38-E251 PolarHBondContact OG-OE1 3.32Å |
| 39 | N | 50.3 | Low | 52.9 | Low | 76 Ų | 76 | 79.1 Ų | 79.1 | 41% | 0.406 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -62.7 | -26.6 | 168.4 | -77.4 | -83.1 | 0 | 0 | 0 | 112.5 | A35 D36 S42 R43 | A35-N39 PolarHBondContact O-ND2 3.39Å; D36-N39 PolarHBondContact O-N 3.14Å; N39-S42 WeakPolarHBondContact CA-OG 3Å; N39-S42 PolarHBondContact O-OG 3.49Å; N39-R43 WeakPolarHBondContact O-CB 3.34Å; N39-R43 VanDerWaalsContact O-CD 3.31Å; N39-R43 WeakPolarHBondContact O-CD 3.04Å; N39-R43 WeakPolarHBondContact O-CG 3.28Å; N39-R43 PolarHBondContact O-N 3.43Å |
| 40 | Y | 49.8 | Very low | 54.8 | Low | 31 Ų | 31 | 70.4 Ų | 70.4 | 12% | 0.122 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -61.8 | -48.3 | -176.6 | -162.5 | -62.3 | 0 | 0 | 0 | 112.2 | D36 F37 S38 I44 P63 R64 L248 | D36-Y40 WeakPolarHBondContact O-CB 3.35Å; D36-Y40 PolarHBondContact O-N 2.96Å; F37-Y40 HydrophobicContact CD1-CD2 4.42Å; F37-Y40 VanDerWaalsContact O-CB 3.24Å; F37-Y40 WeakPolarHBondContact O-CB 3.31Å; F37-Y40 PolarHBondContact O-N 3.36Å; S38-Y40 PolarHBondContact O-N 2.92Å; Y40-I44 HydrophobicContact CD1-CD1 3.66Å; Y40-I44 HydrophobicContact CE1-CD1 3.41Å; Y40-I44 VanDerWaalsContact CE1-CD1 3.41Å; Y40-P63 HydrophobicContact CD1-CB 4.3Å; Y40-P63 HydrophobicContact CD1-CG 3.85Å; Y40-P63 HydrophobicContact CD2-CB 3.78Å; Y40-P63 HydrophobicContact CD2-CG 4.23Å; Y40-P63 HydrophobicContact CE1-CB 4.13Å; Y40-P63 HydrophobicContact CE1-CG 3.77Å; Y40-P63 HydrophobicContact CE2-CB 3.63Å; Y40-P63 HydrophobicContact CE2-CG 4.2Å; Y40-P63 HydrophobicContact CG-CB 4.14Å; Y40-P63 HydrophobicContact CG-CG 4.08Å; Y40-R64 PolarHBondContact OH-O 2.96Å; Y40-L248 HydrophobicContact CD1-CD1 4.27Å; Y40-L248 HydrophobicContact CD1-CD2 3.46Å; Y40-L248 VanDerWaalsContact CD1-CD2 3.46Å; Y40-L248 HydrophobicContact CD1-CG 3.91Å; Y40-L248 HydrophobicContact CE1-CD1 3.81Å; Y40-L248 HydrophobicContact CE1-CD2 3.73Å; Y40-L248 HydrophobicContact CE1-CG 3.98Å |
| 41 | L | 46.1 | Very low | 56.9 | Low | 9 Ų | 9 | 67.9 Ų | 67.9 | 5% | 0.047 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -77.2 | -46.5 | -177.8 | -176.1 | 82 | 0 | 0 | 0 | 112.6 | R43 I44 I45 L248 E251 A252 | L41-R43 PolarHBondContact O-N 3.33Å; L41-R43 VanDerWaalsContact O-N 3.07Å; L41-I44 WeakPolarHBondContact O-CA 3.33Å; L41-I44 PolarHBondContact O-N 3.27Å; L41-I45 HydrophobicContact CD1-CD1 3.64Å; L41-I45 HydrophobicContact CD1-CG1 3.78Å; L41-I45 HydrophobicContact CD2-CD1 4.2Å; L41-I45 HydrophobicContact CG-CD1 4.12Å; L41-I45 HydrophobicContact CG-CG1 4.16Å; L41-I45 PolarHBondContact O-N 3Å; L41-L248 HydrophobicContact CB-CD2 3.94Å; L41-L248 HydrophobicContact CD1-CB 3.9Å; L41-L248 HydrophobicContact CD1-CD2 3.34Å; L41-L248 HydrophobicContact CD1-CG 4.25Å; L41-L248 WeakPolarHBondContact CD1-O 3.42Å; L41-L248 WeakPolarHBondContact CD2-O 3.2Å; L41-L248 HydrophobicContact CG-CD2 4.24Å; L41-E251 HydrophobicContact CB-CB 4.41Å; L41-E251 HydrophobicContact CD2-CB 3.55Å; L41-E251 HydrophobicContact CD2-CG 3.95Å; L41-E251 VanDerWaalsContact CD2-O 3.24Å; L41-E251 WeakPolarHBondContact CD2-O 3.39Å; L41-A252 HydrophobicContact CD1-CB 4.13Å; L41-A252 VanDerWaalsContact CD2-CA 3.43Å; L41-A252 HydrophobicContact CD2-CB 3.7Å |
| 42 | S | 49.1 | Very low | 59.1 | Low | 44 Ų | 44 | 63.2 Ų | 63.2 | 31% | 0.308 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -51.3 | -37.5 | -178.9 | 46.6 | 0 | 0 | 0 | 0 | 110.8 | S38 N39 T46 | S38-S42 PolarHBondContact O-OG 2.99Å; S38-S42 VanDerWaalsContact O-OG 3.12Å; N39-S42 WeakPolarHBondContact CA-OG 3Å; N39-S42 PolarHBondContact O-OG 3.49Å; S42-T46 VanDerWaalsContact O-CB 3.28Å; S42-T46 WeakPolarHBondContact O-CB 3.4Å; S42-T46 WeakPolarHBondContact O-CG2 3.38Å; S42-T46 PolarHBondContact O-N 3.26Å; S42-T46 VanDerWaalsContact O-N 3.08Å; S42-T46 PolarHBondContact O-OG1 2.91Å |
| 43 | R | 55.1 | Low | 61.2 | Low | 101 Ų | 101 | 60.3 Ų | 60.3 | 38% | 0.381 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -70.4 | -23.3 | 172.7 | -67.4 | 178.2 | 174.3 | -131 | 2.2 | 116.5 | N39 L41 Q48 | N39-R43 WeakPolarHBondContact O-CB 3.34Å; N39-R43 VanDerWaalsContact O-CD 3.31Å; N39-R43 WeakPolarHBondContact O-CD 3.04Å; N39-R43 WeakPolarHBondContact O-CG 3.28Å; N39-R43 PolarHBondContact O-N 3.43Å; L41-R43 PolarHBondContact O-N 3.33Å; L41-R43 VanDerWaalsContact O-N 3.07Å; R43-Q48 HydrophobicContact CB-CG 4.49Å; R43-Q48 PolarHBondContact O-OE1 3.3Å |
| 44 | I | 54.8 | Low | 63.3 | Low | 28 Ų | 28 | 61.1 Ų | 61.1 | 14% | 0.144 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -90.4 | -39.5 | 180 | -83.2 | 169.7 | 0 | 0 | 0 | 112.6 | Y40 L41 P63 C142 L248 | Y40-I44 HydrophobicContact CD1-CD1 3.66Å; Y40-I44 HydrophobicContact CE1-CD1 3.41Å; Y40-I44 VanDerWaalsContact CE1-CD1 3.41Å; L41-I44 WeakPolarHBondContact O-CA 3.33Å; L41-I44 PolarHBondContact O-N 3.27Å; I44-P63 HydrophobicContact CD1-CG 3.85Å; I44-P63 HydrophobicContact CG1-CG 4.32Å; I44-C142 HydrophobicContact CB-CB 4.5Å; I44-C142 HydrophobicContact CG1-CB 3.58Å; I44-C142 WeakPolarHBondContact CG1-O 3.46Å; I44-L248 HydrophobicContact CD1-CD2 3.92Å |
| 45 | I | 53.7 | Low | 65.4 | Low | 94 Ų | 94 | 59.3 Ų | 59.3 | 48% | 0.482 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -93.3 | -41.3 | -177.5 | -65.4 | -167.4 | 0 | 0 | 0 | 112.6 | L41 A252 | L41-I45 HydrophobicContact CD1-CD1 3.64Å; L41-I45 HydrophobicContact CD1-CG1 3.78Å; L41-I45 HydrophobicContact CD2-CD1 4.2Å; L41-I45 HydrophobicContact CG-CD1 4.12Å; L41-I45 HydrophobicContact CG-CG1 4.16Å; L41-I45 PolarHBondContact O-N 3Å; I45-A252 HydrophobicContact CD1-CB 3.47Å; I45-A252 VanDerWaalsContact CD1-CB 3.47Å |
| 46 | T | 61.3 | Low | 67.7 | Low | 78 Ų | 78 | 59.4 Ų | 59.4 | 48% | 0.479 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -78 | 155.7 | 179.2 | 79.5 | 0 | 0 | 0 | 0 | 111.4 | S42 Q48 | S42-T46 VanDerWaalsContact O-CB 3.28Å; S42-T46 WeakPolarHBondContact O-CB 3.4Å; S42-T46 WeakPolarHBondContact O-CG2 3.38Å; S42-T46 PolarHBondContact O-N 3.26Å; S42-T46 VanDerWaalsContact O-N 3.08Å; S42-T46 PolarHBondContact O-OG1 2.91Å; T46-Q48 PolarHBondContact O-N 2.9Å |
| 47 | S | 78 | Confident | 69.8 | Low | 54 Ų | 54 | 57.2 Ų | 57.2 | 38% | 0.378 | 34% | 0.335 | S | S | . | . | trans | -78.3 | 114.3 | 174.2 | -133.9 | 0 | 0 | 0 | 0 | 109.3 | N139 K141 | S47-N139 VanDerWaalsContact CB-OD1 3.28Å; S47-N139 WeakPolarHBondContact CB-OD1 3.3Å; S47-N139 PolarHBondContact OG-ND2 3.19Å; S47-N139 PolarHBondContact OG-OD1 3.25Å; S47-K141 VanDerWaalsContact OG-CE 3.23Å; S47-K141 WeakPolarHBondContact OG-CE 3.29Å | ||
| 48 | Q | 83 | Confident | 72.3 | Confident | 27 Ų | 27 | 53 Ų | 53 | 13% | 0.126 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 127.6 | -179.8 | -63.4 | -161 | -103.5 | 0 | 0 | 111 | R43 T46 N139 Y140 | R43-Q48 HydrophobicContact CB-CG 4.49Å; R43-Q48 PolarHBondContact O-OE1 3.3Å; T46-Q48 PolarHBondContact O-N 2.9Å; Q48-N139 CarbonylContact O-C 3.5Å; Q48-N139 WeakPolarHBondContact O-CA 3.28Å; Q48-N139 PolarHBondContact O-OD1 3.27Å; Q48-Y140 HydrophobicContact CB-CD1 3.88Å; Q48-Y140 HydrophobicContact CB-CE1 3.54Å; Q48-Y140 HydrophobicContact CB-CE2 4.26Å; Q48-Y140 HydrophobicContact CB-CG 4.37Å; Q48-Y140 PolarHBondContact N-O 2.93Å; Q48-Y140 PolarHBondContact NE2-OH 3.43Å; Q48-Y140 VanDerWaalsContact O-CD1 3.24Å; Q48-Y140 WeakPolarHBondContact O-CD1 3.4Å; Q48-Y140 PolarHBondContact O-N 2.92Å |
| 49 | S | 88.8 | Confident | 74.9 | Confident | 83 Ų | 83 | 57.7 Ų | 57.7 | 58% | 0.58 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 138.9 | 164.7 | 57.8 | 0 | 0 | 0 | 0 | 111.4 | V138 | S49-V138 CarbonylContact C-O 3.59Å; S49-V138 VanDerWaalsContact CA-O 3.29Å; S49-V138 WeakPolarHBondContact CA-O 3.43Å |
| 50 | A | 90.1 | Very high | 76.8 | Confident | 16 Ų | 16 | 54.1 Ų | 54.1 | 13% | 0.132 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 153.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | L58 L60 V138 Y140 | A50-L58 HydrophobicContact CB-CD1 4.2Å; A50-L60 HydrophobicContact CB-CD2 3.66Å; A50-V138 PolarHBondContact N-O 2.9Å; A50-V138 PolarHBondContact O-N 2.79Å; A50-Y140 HydrophobicContact CB-CE1 3.89Å |
| 51 | H | 90.9 | Very high | 78.8 | Confident | 115 Ų | 115 | 55.7 Ų | 55.7 | 53% | 0.532 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 156 | 177.8 | 62.7 | -89.9 | 0 | 0 | 0 | 112.2 | L82 L136 | H51-L82 HydrophobicContact CB-CD2 3.59Å; H51-L136 CarbonylContact C-O 3.5Å; H51-L136 WeakPolarHBondContact CA-O 3.43Å; H51-L136 WeakPolarHBondContact CB-O 3.43Å |
| 52 | A | 90.9 | Very high | 80.5 | Confident | 7 Ų | 7 | 55.3 Ų | 55.3 | 6% | 0.058 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 155.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | L58 V119 Y135 L136 | A52-L58 HydrophobicContact CB-CB 4.06Å; A52-L58 HydrophobicContact CB-CD1 4.21Å; A52-V119 HydrophobicContact CB-CG2 3.72Å; A52-Y135 CarbonylContact O-C 3.45Å; A52-Y135 WeakPolarHBondContact O-CA 3.33Å; A52-L136 PolarHBondContact N-O 2.8Å; A52-L136 PolarHBondContact O-N 2.03Å |
| 53 | C | 89.8 | Confident | 81.6 | Confident | 39 Ų | 39 | 54.1 Ų | 54.1 | 26% | 0.264 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 157.4 | -178.4 | -54.5 | 0 | 0 | 0 | 0 | 110.4 | G55 T56 C83 V119 | C53-G55 PolarHBondContact O-N 3.39Å; C53-T56 HydrophobicContact CB-CG2 4.31Å; C53-T56 PolarHBondContact N-OG1 2.96Å; C53-T56 PolarHBondContact O-N 2.77Å; C53-T56 PolarHBondContact O-OG1 3Å; C53-C83 WeakPolarHBondContact CA-SG 3.27Å; C53-C83 HydrophobicContact CB-CB 3.7Å; C53-C83 WeakPolarHBondContact CB-SG 3.26Å; C53-C83 WeakPolarHBondContact SG-CB 3.13Å; C53-C83 CovalentContact SG-SG 2.03Å; C53-C83 PolarHBondContact SG-SG 3.18Å; C53-V119 WeakPolarHBondContact O-CB 3.48Å |
| 54 | D | 86.7 | Confident | 82.2 | Confident | 55 Ų | 55 | 57.6 Ų | 57.6 | 29% | 0.294 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 126.6 | 168.2 | -154.7 | 5.9 | 0 | 0 | 0 | 109.5 | Y75 S120 K134 | D54-Y75 PolarHBondContact OD1-OH 3.23Å; D54-Y75 PolarHBondContact OD2-OH 3.05Å; D54-S120 WeakPolarHBondContact OD1-CA 3.19Å; D54-K134 HydrophobicContact CB-CB 4.25Å; D54-K134 PolarHBondContact N-O 2.96Å; D54-K134 WeakPolarHBondContact OD2-CE 3Å; D54-K134 IonicContact OD2-NZ 2.99Å |
| 55 | G | 84.8 | Confident | 83 | Confident | 66 Ų | 66 | 60.9 Ų | 60.9 | 68% | 0.68 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.7 | -12.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | C53 V119 | C53-G55 PolarHBondContact O-N 3.39Å; G55-V119 PolarHBondContact N-O 3.01Å |
| 56 | T | 89.1 | Confident | 84.1 | Confident | 63 Ų | 63 | 56.5 Ų | 56.5 | 39% | 0.387 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -103 | 143.4 | 176 | 68.6 | 0 | 0 | 0 | 0 | 112.4 | C53 L58 V119 | C53-T56 HydrophobicContact CB-CG2 4.31Å; C53-T56 PolarHBondContact N-OG1 2.96Å; C53-T56 PolarHBondContact O-N 2.77Å; C53-T56 PolarHBondContact O-OG1 3Å; T56-L58 PolarHBondContact O-N 2.84Å; T56-V119 VanDerWaalsContact O-CB 3.28Å; T56-V119 WeakPolarHBondContact O-CB 3.35Å; T56-V119 VanDerWaalsContact O-CG2 3.32Å; T56-V119 WeakPolarHBondContact O-CG2 3.42Å; T56-V119 PolarHBondContact O-N 2.89Å |
| 57 | P | 92.1 | Very high | 85.3 | Confident | 61 Ų | 61 | 53.6 Ų | 53.6 | 40% | 0.396 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 125.1 | -179 | 29.5 | -33.4 | 0 | 0 | 0 | 111.3 | Q116 L117 | P57-Q116 HydrophobicContact CB-CG 4.07Å; P57-L117 CarbonylContact C-O 3.53Å; P57-L117 WeakPolarHBondContact CA-O 3.35Å |
| 58 | L | 94.1 | Very high | 85.8 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 139.3 | 164.2 | 179.4 | 75.5 | 0 | 0 | 0 | 109 | A50 A52 T56 L60 L105 Q116 L117 V119 L136 V138 | A50-L58 HydrophobicContact CB-CD1 4.2Å; A52-L58 HydrophobicContact CB-CB 4.06Å; A52-L58 HydrophobicContact CB-CD1 4.21Å; T56-L58 PolarHBondContact O-N 2.84Å; L58-L60 HydrophobicContact CD1-CD2 4.09Å; L58-L60 HydrophobicContact CD2-CD1 4.11Å; L58-L60 HydrophobicContact CD2-CD2 4.08Å; L58-L60 HydrophobicContact CD2-CG 3.91Å; L58-L60 HydrophobicContact CG-CD2 4.13Å; L58-L60 HydrophobicContact CG-CG 4.16Å; L58-L105 HydrophobicContact CD2-CD2 4.01Å; L58-Q116 CarbonylContact O-C 3.53Å; L58-Q116 VanDerWaalsContact O-CA 3.3Å; L58-Q116 WeakPolarHBondContact O-CA 3.43Å; L58-L117 HydrophobicContact CB-CB 4.36Å; L58-L117 PolarHBondContact N-O 3.44Å; L58-L117 PolarHBondContact O-N 3.48Å; L58-V119 HydrophobicContact CB-CG2 4.03Å; L58-L136 HydrophobicContact CB-CD2 4.18Å; L58-L136 HydrophobicContact CD2-CD2 3.78Å; L58-L136 HydrophobicContact CG-CD2 4.39Å; L58-V138 HydrophobicContact CD1-CG2 4.13Å; L58-V138 HydrophobicContact CD2-CG2 3.82Å |
| 59 | R | 93.8 | Very high | 86.2 | Confident | 162 Ų | 162 | 50.9 Ų | 50.9 | 61% | 0.611 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 121.5 | 170.3 | -62.9 | 177.3 | -174.9 | -108.7 | 2.2 | 109.5 | C115 Q116 | R59-C115 WeakPolarHBondContact CA-O 3.38Å; R59-Q116 HydrophobicContact CG-CG 4.22Å |
| 60 | L | 92.1 | Very high | 86.4 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 131.7 | 171.5 | -55.1 | -178.8 | 0 | 0 | 0 | 108.2 | A50 L58 I68 I70 C109 E114 C115 V138 Y140 | A50-L60 HydrophobicContact CB-CD2 3.66Å; L58-L60 HydrophobicContact CD1-CD2 4.09Å; L58-L60 HydrophobicContact CD2-CD1 4.11Å; L58-L60 HydrophobicContact CD2-CD2 4.08Å; L58-L60 HydrophobicContact CD2-CG 3.91Å; L58-L60 HydrophobicContact CG-CD2 4.13Å; L58-L60 HydrophobicContact CG-CG 4.16Å; L60-I68 HydrophobicContact CB-CD1 3.65Å; L60-I68 HydrophobicContact CB-CG1 4.32Å; L60-I68 HydrophobicContact CD1-CD1 4.45Å; L60-I68 HydrophobicContact CD1-CG2 4.12Å; L60-I70 HydrophobicContact CD1-CD1 3.79Å; L60-C109 HydrophobicContact CD1-CB 4.17Å; L60-E114 WeakPolarHBondContact O-CA 3.41Å; L60-C115 HydrophobicContact CB-CB 4.33Å; L60-C115 PolarHBondContact N-O 3.1Å; L60-C115 PolarHBondContact O-N 2.85Å; L60-V138 HydrophobicContact CD1-CG1 4.4Å; L60-Y140 HydrophobicContact CD2-CD1 3.95Å; L60-Y140 HydrophobicContact CD2-CE1 3.68Å |
| 61 | H | 89.8 | Confident | 86.6 | Confident | 64 Ų | 64 | 50.9 Ų | 50.9 | 30% | 0.296 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 117.3 | -179.7 | -172.4 | 102.7 | 0 | 0 | 0 | 111.7 | R113 E114 | H61-R113 PolarHBondContact CE1-NH2 2.81Å; H61-R113 PolarHBondContact NE2-NH2 2.94Å; H61-E114 IonicContact CE1-OE2 3.4Å; H61-E114 PolarHBondContact CE1-OE2 3.42Å; H61-E114 VanDerWaalsContact ND1-CD 3.25Å; H61-E114 IonicContact ND1-OE1 3.53Å; H61-E114 IonicContact ND1-OE2 2.69Å; H61-E114 PolarHBondContact ND1-OE2 2.03Å |
| 62 | C | 82.7 | Confident | 86.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.256 | C | S | . | . | trans | -96.1 | 144.9 | 169.2 | -70.9 | 0 | 0 | 0 | 0 | 111.3 | I68 R113 C142 | C62-I68 HydrophobicContact CB-CG1 4.45Å; C62-I68 VanDerWaalsContact SG-CG1 3.55Å; C62-R113 PolarHBondContact N-O 3.46Å; C62-R113 WeakPolarHBondContact O-CG 3.34Å; C62-R113 PolarHBondContact O-NE 2.93Å; C62-C142 WeakPolarHBondContact CA-SG 3.48Å; C62-C142 HydrophobicContact CB-CB 3.74Å; C62-C142 WeakPolarHBondContact CB-SG 3.46Å; C62-C142 VanDerWaalsContact SG-CA 3.51Å; C62-C142 WeakPolarHBondContact SG-CB 3.46Å; C62-C142 CovalentContact SG-SG 2.03Å; C62-C142 PolarHBondContact SG-SG 3.06Å | ||
| 63 | P | 73.1 | Confident | 86.8 | Confident | 19 Ų | 19 | 48.6 Ų | 48.6 | 12% | 0.123 | 26% | 0.261 | C | S | . | . | trans | -69.3 | 175.7 | 178.2 | 30.9 | -36.3 | 0 | 0 | 0 | 112.1 | Y40 I44 S66 | Y40-P63 HydrophobicContact CD1-CB 4.3Å; Y40-P63 HydrophobicContact CD1-CG 3.85Å; Y40-P63 HydrophobicContact CD2-CB 3.78Å; Y40-P63 HydrophobicContact CD2-CG 4.23Å; Y40-P63 HydrophobicContact CE1-CB 4.13Å; Y40-P63 HydrophobicContact CE1-CG 3.77Å; Y40-P63 HydrophobicContact CE2-CB 3.63Å; Y40-P63 HydrophobicContact CE2-CG 4.2Å; Y40-P63 HydrophobicContact CG-CB 4.14Å; Y40-P63 HydrophobicContact CG-CG 4.08Å; I44-P63 HydrophobicContact CD1-CG 3.85Å; I44-P63 HydrophobicContact CG1-CG 4.32Å; P63-S66 WeakPolarHBondContact CD-OG 3.45Å; P63-S66 PolarHBondContact O-N 3.47Å; P63-S66 PolarHBondContact O-OG 2.99Å | ||
| 64 | R | 67.8 | Low | 87 | Confident | 175 Ų | 175 | 49.6 Ų | 49.6 | 66% | 0.66 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 150.1 | -173 | -64.4 | -159.7 | -179 | -138 | 2.6 | 112.7 | Y40 S66 | Y40-R64 PolarHBondContact OH-O 2.96Å; R64-S66 PolarHBondContact O-N 3.36Å; R64-S66 VanDerWaalsContact O-N 3.1Å |
| 65 | H | 69.7 | Low | 87.2 | Confident | 96 Ų | 96 | 47 Ų | 47 | 44% | 0.444 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 25.3 | -175.3 | -48.6 | -82 | 0 | 0 | 0 | 114.6 | P144 S145 E146 | H65-P144 WeakPolarHBondContact O-CA 3.29Å; H65-S145 VanDerWaalsContact CA-OG 3.3Å; H65-S145 WeakPolarHBondContact CA-OG 3.02Å; H65-S145 PolarHBondContact O-N 2.82Å; H65-S145 PolarHBondContact O-OG 3.22Å; H65-E146 IonicContact CE1-OE1 2.68Å; H65-E146 IonicContact CG-OE1 3.85Å; H65-E146 IonicContact ND1-OE1 2.81Å; H65-E146 PolarHBondContact ND1-OE1 3.13Å |
| 66 | S | 77.2 | Confident | 87.4 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 154.2 | 171.5 | 72.2 | 0 | 0 | 0 | 0 | 111.4 | P63 R64 K143 | P63-S66 WeakPolarHBondContact CD-OG 3.45Å; P63-S66 PolarHBondContact O-N 3.47Å; P63-S66 PolarHBondContact O-OG 2.99Å; R64-S66 PolarHBondContact O-N 3.36Å; R64-S66 VanDerWaalsContact O-N 3.1Å; S66-K143 CarbonylContact C-O 3.54Å; S66-K143 WeakPolarHBondContact CA-O 3.32Å; S66-K143 WeakPolarHBondContact CB-O 3.17Å |
| 67 | T | 86.1 | Confident | 87.2 | Confident | 18 Ų | 18 | 41.9 Ų | 41.9 | 11% | 0.11 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 154 | -175.1 | 53.9 | 0 | 0 | 0 | 0 | 111.6 | S69 N111 L112 C142 K143 | T67-S69 PolarHBondContact O-N 3.43Å; T67-N111 WeakPolarHBondContact CB-O 3.41Å; T67-N111 WeakPolarHBondContact CG2-O 3.35Å; T67-L112 CarbonylContact C-O 3.57Å; T67-L112 VanDerWaalsContact CA-O 3.31Å; T67-L112 WeakPolarHBondContact CA-O 3.18Å; T67-L112 WeakPolarHBondContact CB-O 3.47Å; T67-C142 CarbonylContact O-C 3.58Å; T67-C142 WeakPolarHBondContact O-CA 3.5Å; T67-K143 PolarHBondContact N-O 2.75Å; T67-K143 PolarHBondContact O-N 2.77Å |
| 68 | I | 89.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 129.6 | -178.2 | -62.1 | 158.5 | 0 | 0 | 0 | 109.3 | L60 C62 I70 C109 Q110 N111 L112 C115 Y140 | L60-I68 HydrophobicContact CB-CD1 3.65Å; L60-I68 HydrophobicContact CB-CG1 4.32Å; L60-I68 HydrophobicContact CD1-CD1 4.45Å; L60-I68 HydrophobicContact CD1-CG2 4.12Å; C62-I68 HydrophobicContact CB-CG1 4.45Å; C62-I68 VanDerWaalsContact SG-CG1 3.55Å; I68-I70 HydrophobicContact CG2-CD1 3.55Å; I68-I70 HydrophobicContact CG2-CG1 4.21Å; I68-C109 WeakPolarHBondContact CB-O 3.48Å; I68-C109 HydrophobicContact CG2-CB 4.47Å; I68-Q110 PolarHBondContact O-OE1 3.09Å; I68-N111 PolarHBondContact O-N 2.67Å; I68-L112 WeakPolarHBondContact CG1-O 3.3Å; I68-L112 PolarHBondContact N-O 2.93Å; I68-C115 HydrophobicContact CD1-CB 3.78Å; I68-Y140 HydrophobicContact CG2-CD2 4.21Å |
| 69 | S | 91 | Very high | 85 | Confident | 23 Ų | 23 | 48.9 Ų | 48.9 | 16% | 0.161 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 97.3 | 167.8 | -164.2 | 0 | 0 | 0 | 0 | 109 | T67 Q71 Q110 Y140 K141 | T67-S69 PolarHBondContact O-N 3.43Å; S69-Q71 PolarHBondContact O-N 2.77Å; S69-Q71 PolarHBondContact O-NE2 3.21Å; S69-Q110 VanDerWaalsContact CA-OE1 3.31Å; S69-Y140 WeakPolarHBondContact O-CA 3.4Å; S69-K141 WeakPolarHBondContact CB-O 3.41Å; S69-K141 PolarHBondContact N-O 3.22Å; S69-K141 PolarHBondContact O-N 3Å |
| 70 | I | 93.9 | Very high | 83.6 | Confident | 11 Ų | 11 | 45.5 Ų | 45.5 | 6% | 0.056 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 135.7 | 176.2 | -51 | -61.8 | 0 | 0 | 0 | 109 | L60 I68 L102 L105 L106 C109 V138 | L60-I70 HydrophobicContact CD1-CD1 3.79Å; I68-I70 HydrophobicContact CG2-CD1 3.55Å; I68-I70 HydrophobicContact CG2-CG1 4.21Å; I70-L102 HydrophobicContact CG2-CD1 3.6Å; I70-L105 HydrophobicContact CD1-CB 4.44Å; I70-L105 HydrophobicContact CG1-CB 4.34Å; I70-L106 HydrophobicContact CB-CD2 3.98Å; I70-L106 HydrophobicContact CG1-CD2 4.44Å; I70-C109 HydrophobicContact CD1-CB 4.29Å; I70-V138 HydrophobicContact CD1-CG1 4.04Å; I70-V138 HydrophobicContact CG2-CG1 4.48Å |
| 71 | Q | 93.1 | Very high | 82.4 | Confident | 88 Ų | 88 | 51.9 Ų | 51.9 | 41% | 0.411 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | -46.1 | 175.5 | -52.8 | -64.3 | -75.6 | 0 | 0 | 110.2 | S69 N139 K141 | S69-Q71 PolarHBondContact O-N 2.77Å; S69-Q71 PolarHBondContact O-NE2 3.21Å; Q71-N139 WeakPolarHBondContact CA-O 3.25Å; Q71-N139 HydrophobicContact CB-CB 4.46Å; Q71-N139 WeakPolarHBondContact CB-O 3.45Å; Q71-N139 PolarHBondContact N-O 2.85Å; Q71-K141 HydrophobicContact CG-CD 4.34Å; Q71-K141 HydrophobicContact CG-CG 4.07Å |
| 72 | S | 93.6 | Very high | 81.3 | Confident | 56 Ų | 56 | 50.6 Ų | 50.6 | 39% | 0.392 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 158.7 | 173.4 | 65.3 | 0 | 0 | 0 | 0 | 111.1 | N139 | S72-N139 PolarHBondContact N-O 2.85Å; S72-N139 VanDerWaalsContact N-O 3.13Å; S72-N139 PolarHBondContact O-N 3.38Å; S72-N139 WeakPolarHBondContact OG-CB 3.22Å |
| 73 | A | 93.6 | Very high | 80.8 | Confident | 19 Ų | 19 | 52.3 Ų | 52.3 | 16% | 0.157 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 145.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | L102 L105 H137 | A73-L102 HydrophobicContact CB-CB 4.47Å; A73-L102 HydrophobicContact CB-CD1 4.48Å; A73-L105 HydrophobicContact CB-CD2 3.95Å; A73-H137 CarbonylContact C-O 3.55Å; A73-H137 WeakPolarHBondContact CA-O 3.32Å |
| 74 | F | 92.2 | Very high | 80.6 | Confident | 59 Ų | 59 | 53.6 Ų | 53.6 | 26% | 0.259 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 126.4 | 178.4 | 168.4 | -82.8 | 0 | 0 | 0 | 107.8 | Y135 L136 H137 | F74-Y135 HydrophobicContact CD1-CD2 4.24Å; F74-Y135 AromaticContact CD1-CE2 3.71Å; F74-Y135 HydrophobicContact CD1-CE2 3.71Å; F74-Y135 HydrophobicContact CE1-CD2 4.24Å; F74-Y135 AromaticContact CE1-CE2 3.58Å; F74-Y135 HydrophobicContact CE1-CE2 3.58Å; F74-Y135 AromaticContact CE1-CZ 3.77Å; F74-L136 CarbonylContact O-C 3.56Å; F74-L136 WeakPolarHBondContact O-CA 3.3Å; F74-H137 PolarHBondContact N-O 2.91Å; F74-H137 PolarHBondContact O-N 2.73Å |
| 75 | Y | 91.4 | Very high | 80.3 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 121.8 | 168.9 | 175.2 | -112.6 | 0 | 0 | 0 | 109.7 | D54 S97 A98 V119 H121 F124 P128 K134 Y135 L136 | D54-Y75 PolarHBondContact OD1-OH 3.23Å; D54-Y75 PolarHBondContact OD2-OH 3.05Å; Y75-S97 CarbonylContact O-C 3.43Å; Y75-S97 VanDerWaalsContact O-CA 3.29Å; Y75-S97 WeakPolarHBondContact O-CA 3.44Å; Y75-A98 HydrophobicContact CD1-CB 3.95Å; Y75-A98 PolarHBondContact O-N 3.05Å; Y75-V119 HydrophobicContact CD2-CG1 3.94Å; Y75-V119 HydrophobicContact CE2-CG1 3.55Å; Y75-H121 HydrophobicContact CE1-CB 4.32Å; Y75-H121 PolarHBondContact OH-N 2.9Å; Y75-F124 HydrophobicContact CD1-CB 3.88Å; Y75-F124 AromaticContact CD1-CD2 3.43Å; Y75-F124 HydrophobicContact CD1-CD2 3.43Å; Y75-F124 VanDerWaalsContact CD1-CD2 3.43Å; Y75-F124 HydrophobicContact CD1-CE2 4.23Å; Y75-F124 AromaticContact CD1-CG 3.83Å; Y75-F124 HydrophobicContact CD1-CG 3.83Å; Y75-F124 HydrophobicContact CD2-CD2 4.04Å; Y75-F124 HydrophobicContact CD2-CE2 4.04Å; Y75-F124 HydrophobicContact CE1-CB 4.27Å; Y75-F124 AromaticContact CE1-CD2 3.71Å; Y75-F124 HydrophobicContact CE1-CD2 3.71Å; Y75-F124 HydrophobicContact CE1-CG 4.36Å; Y75-F124 HydrophobicContact CE2-CD2 4.29Å; Y75-F124 HydrophobicContact CE2-CE2 4.4Å; Y75-F124 AromaticContact CG-CD2 3.6Å; Y75-F124 HydrophobicContact CG-CD2 3.6Å; Y75-F124 AromaticContact CG-CE2 3.94Å; Y75-F124 HydrophobicContact CG-CE2 3.94Å; Y75-F124 HydrophobicContact CG-CG 4.18Å; Y75-P128 HydrophobicContact CD1-CG 4.28Å; Y75-P128 HydrophobicContact CE1-CG 4.3Å; Y75-K134 HydrophobicContact CE1-CD 4.12Å; Y75-K134 HydrophobicContact CE2-CB 3.92Å; Y75-K134 WeakPolarHBondContact OH-CE 3.41Å; Y75-Y135 WeakPolarHBondContact CA-O 3.44Å; Y75-L136 HydrophobicContact CD2-CB 4.09Å |
| 76 | G | 88.9 | Confident | 79.8 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 154.4 | -146.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | C96 K134 Y135 | G76-C96 CarbonylContact C-O 3.32Å; G76-C96 VanDerWaalsContact CA-O 3.31Å; G76-C96 WeakPolarHBondContact CA-O 3.16Å; G76-K134 CarbonylContact O-C 3.51Å; G76-K134 VanDerWaalsContact O-CA 3.22Å; G76-K134 WeakPolarHBondContact O-CA 3.04Å; G76-Y135 PolarHBondContact N-O 3.25Å; G76-Y135 PolarHBondContact O-N 3.49Å |
| 77 | S | 86.1 | Confident | 78.6 | Confident | 23 Ų | 23 | 59.6 Ų | 59.6 | 16% | 0.161 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 136.8 | -176.9 | -155.1 | 0 | 0 | 0 | 0 | 109.4 | S95 C96 N133 | S77-S95 CarbonylContact O-C 3.53Å; S77-S95 VanDerWaalsContact O-CA 3.29Å; S77-S95 WeakPolarHBondContact O-CA 3.3Å; S77-C96 VanDerWaalsContact CB-SG 3.59Å; S77-C96 PolarHBondContact N-O 2.98Å; S77-C96 PolarHBondContact O-N 2.96Å; S77-N133 WeakPolarHBondContact CB-O 3.23Å; S77-N133 PolarHBondContact OG-O 2.84Å |
| 78 | G | 76.4 | Confident | 77.1 | Confident | 24 Ų | 24 | 62.7 Ų | 62.7 | 25% | 0.247 | 35% | 0.348 | C | S | . | . | trans | -150.7 | -167.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V80 | G78-V80 VanDerWaalsContact C-N 3.31Å; G78-V80 PolarHBondContact O-N 3.14Å | ||
| 79 | E | 62.8 | Low | 75.4 | Confident | 186 Ų | 186 | 64.6 Ų | 64.6 | 87% | 0.869 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -66.3 | -30.8 | -175 | -64.7 | 171.4 | -174.2 | 0 | 0 | 113.3 | R81 | E79-R81 PolarHBondContact O-N 3.26Š|
| 80 | V | 65.3 | Low | 73.7 | Confident | 92 Ų | 92 | 65.6 Ų | 65.6 | 56% | 0.558 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -80.2 | 116.1 | -179.8 | -157.2 | 0 | 0 | 0 | 0 | 109.5 | G78 L82 Y135 | G78-V80 VanDerWaalsContact C-N 3.31Å; G78-V80 PolarHBondContact O-N 3.14Å; V80-L82 HydrophobicContact CB-CD1 4.11Å; V80-L82 HydrophobicContact CG1-CD1 3.44Å; V80-L82 VanDerWaalsContact CG1-CD1 3.44Å; V80-L82 PolarHBondContact O-N 3.33Å; V80-Y135 VanDerWaalsContact O-CE1 3.26Å; V80-Y135 WeakPolarHBondContact O-CE1 3.37Å |
| 81 | R | 65.5 | Low | 71.6 | Confident | 134 Ų | 134 | 70.9 Ų | 70.9 | 51% | 0.506 | 41% | 0.41 | S | S | . | . | trans | -72.2 | 56.6 | 178.8 | -69.1 | -179.4 | 170.2 | -175.1 | -7.5 | 113.3 | E79 P87 S89 | E79-R81 PolarHBondContact O-N 3.26Å; R81-P87 PolarHBondContact NH1-O 3.45Å; R81-P87 PolarHBondContact NH2-O 3.11Å; R81-P87 VanDerWaalsContact NH2-O 3.07Å; R81-S89 PolarHBondContact NH2-O 3.1Å | ||
| 82 | L | 66.6 | Low | 69.9 | Low | 37 Ų | 37 | 73.5 Ų | 73.5 | 19% | 0.194 | 42% | 0.416 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 148.5 | 163.1 | -90.4 | 61.2 | 0 | 0 | 0 | 109.3 | H51 V80 T84 Y135 | H51-L82 HydrophobicContact CB-CD2 3.59Å; V80-L82 HydrophobicContact CB-CD1 4.11Å; V80-L82 HydrophobicContact CG1-CD1 3.44Å; V80-L82 VanDerWaalsContact CG1-CD1 3.44Å; V80-L82 PolarHBondContact O-N 3.33Å; L82-T84 VanDerWaalsContact C-N 3.32Å; L82-T84 PolarHBondContact O-N 3.06Å; L82-T84 PolarHBondContact O-OG1 3.38Å; L82-Y135 HydrophobicContact CB-CD1 3.76Å; L82-Y135 HydrophobicContact CB-CD2 4.41Å; L82-Y135 HydrophobicContact CB-CE1 4.25Å; L82-Y135 HydrophobicContact CB-CG 3.85Å; L82-Y135 HydrophobicContact CD2-CD2 4.12Å; L82-Y135 HydrophobicContact CD2-CG 4.31Å |
| 83 | C | 72.3 | Confident | 68.1 | Low | 36 Ų | 36 | 77.8 Ų | 77.8 | 24% | 0.243 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 37.6 | 172.4 | -49.7 | 0 | 0 | 0 | 0 | 114.5 | C53 N133 | C53-C83 WeakPolarHBondContact CA-SG 3.27Å; C53-C83 HydrophobicContact CB-CB 3.7Å; C53-C83 WeakPolarHBondContact CB-SG 3.26Å; C53-C83 WeakPolarHBondContact SG-CB 3.13Å; C53-C83 CovalentContact SG-SG 2.03Å; C53-C83 PolarHBondContact SG-SG 3.18Å; C83-N133 PolarHBondContact O-ND2 3.2Å |
| 84 | T | 69.3 | Low | 66.9 | Low | 47 Ų | 47 | 83.9 Ų | 83.9 | 29% | 0.288 | 46% | 0.46 | S | S | . | . | trans | -139.4 | 112.8 | 176.3 | -57.1 | 0 | 0 | 0 | 0 | 109.4 | L82 D86 | L82-T84 VanDerWaalsContact C-N 3.32Å; L82-T84 PolarHBondContact O-N 3.06Å; L82-T84 PolarHBondContact O-OG1 3.38Å; T84-D86 HydrophobicContact CG2-CB 4.38Å; T84-D86 WeakPolarHBondContact CG2-O 2.9Å | ||
| 85 | E | 61.6 | Low | 66.3 | Low | 199 Ų | 199 | 85.2 Ų | 85.2 | 93% | 0.93 | 48% | 0.476 | S | S | * | . | trans | -84.1 | -14.3 | 173.7 | -60.8 | -172 | 149.8 | 0 | 0 | 112.6 | P87 | E85-P87 WeakPolarHBondContact O-CD 3.33Š| ||
| 86 | D | 58.4 | Low | 66.1 | Low | 99 Ų | 99 | 86.1 Ų | 86.1 | 53% | 0.529 | 48% | 0.482 | S | S | . | . | trans | -94.5 | 108.6 | -170.4 | -164.5 | -20.1 | 0 | 0 | 0 | 112 | T84 A88 | T84-D86 HydrophobicContact CG2-CB 4.38Å; T84-D86 WeakPolarHBondContact CG2-O 2.9Å; D86-A88 PolarHBondContact O-N 3.42Å; D86-A88 WeakPolarHBondContact OD1-CB 3.16Å; D86-A88 PolarHBondContact OD1-N 3.39Å | ||
| 87 | P | 53.4 | Low | 66.1 | Low | 101 Ų | 101 | 89.1 Ų | 89.1 | 66% | 0.656 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -17.6 | -176.3 | 29.3 | -35.3 | 0 | 0 | 0 | 113.4 | R81 E85 S89 | R81-P87 PolarHBondContact NH1-O 3.45Å; R81-P87 PolarHBondContact NH2-O 3.11Å; R81-P87 VanDerWaalsContact NH2-O 3.07Å; E85-P87 WeakPolarHBondContact O-CD 3.33Å; P87-S89 PolarHBondContact O-N 3.14Å |
| 88 | A | 52.9 | Low | 66.4 | Low | 83 Ų | 83 | 88.5 Ų | 88.5 | 69% | 0.686 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -14.4 | -167.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D86 G90 | D86-A88 PolarHBondContact O-N 3.42Å; D86-A88 WeakPolarHBondContact OD1-CB 3.16Å; D86-A88 PolarHBondContact OD1-N 3.39Å; A88-G90 PolarHBondContact O-N 3.37Å; A88-G90 VanDerWaalsContact O-N 3.1Å |
| 89 | S | 55.9 | Low | 66.9 | Low | 40 Ų | 40 | 95.4 Ų | 95.4 | 28% | 0.28 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -75.7 | 102.6 | 179.3 | 71.8 | 0 | 0 | 0 | 0 | 111.5 | R81 P87 | R81-S89 PolarHBondContact NH2-O 3.1Å; P87-S89 PolarHBondContact O-N 3.14Å |
| 90 | G | 53.5 | Low | 68.2 | Low | 44 Ų | 44 | 89.4 Ų | 89.4 | 45% | 0.454 | 51% | 0.506 | S | S | . | . | trans | -55.3 | 164.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115 | A88 R92 | A88-G90 PolarHBondContact O-N 3.37Å; A88-G90 VanDerWaalsContact O-N 3.1Å; G90-R92 WeakPolarHBondContact O-CG 3.26Å; G90-R92 PolarHBondContact O-N 3.38Å | ||
| 91 | P | 51.6 | Low | 69.5 | Low | 122 Ų | 122 | 85 Ų | 85 | 79% | 0.792 | 48% | 0.479 | S | S | * | . | trans | -59.1 | 119.6 | -173.1 | 24.5 | -34.2 | 0 | 0 | 0 | 111.6 | ||||
| 92 | R | 55.7 | Low | 70.8 | Confident | 143 Ų | 143 | 81.7 Ų | 81.7 | 54% | 0.54 | 47% | 0.471 | S | S | . | . | trans | -98.1 | 97.8 | 179.9 | -62.4 | -175 | -178.8 | -172.9 | -1.7 | 109.1 | G90 H94 | G90-R92 WeakPolarHBondContact O-CG 3.26Å; G90-R92 PolarHBondContact O-N 3.38Å; R92-H94 PolarHBondContact O-N 3.35Å | ||
| 93 | N | 56.3 | Low | 72.1 | Confident | 146 Ų | 146 | 87.1 Ų | 87.1 | 78% | 0.781 | 50% | 0.496 | S | S | * | . | trans | -68 | 27.4 | 179 | -61.7 | -1 | 0 | 0 | 0 | 114.2 | ||||
| 94 | H | 68.1 | Low | 73.1 | Confident | 147 Ų | 147 | 88 Ų | 88 | 68% | 0.681 | 50% | 0.495 | S | S | * | . | trans | -134.5 | 83.5 | -178.6 | -63.9 | -39.4 | 0 | 0 | 0 | 108.7 | R92 K132 | R92-H94 PolarHBondContact O-N 3.35Å; H94-K132 PolarHBondContact O-NZ 2.79Å | ||
| 95 | S | 80.7 | Confident | 74.3 | Confident | 87 Ų | 87 | 85.8 Ų | 85.8 | 61% | 0.608 | 48% | 0.482 | S | S | * | . | trans | -64.2 | 151.7 | 163 | 55.6 | 0 | 0 | 0 | 0 | 110.1 | S77 | S77-S95 CarbonylContact O-C 3.53Å; S77-S95 VanDerWaalsContact O-CA 3.29Å; S77-S95 WeakPolarHBondContact O-CA 3.3Å | ||
| 96 | C | 87 | Confident | 75.9 | Confident | 19 Ų | 19 | 79.8 Ų | 79.8 | 13% | 0.128 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 138.9 | -178.8 | 42.9 | 0 | 0 | 0 | 0 | 109.1 | G76 S77 P128 C129 | G76-C96 CarbonylContact C-O 3.32Å; G76-C96 VanDerWaalsContact CA-O 3.31Å; G76-C96 WeakPolarHBondContact CA-O 3.16Å; S77-C96 VanDerWaalsContact CB-SG 3.59Å; S77-C96 PolarHBondContact N-O 2.98Å; S77-C96 PolarHBondContact O-N 2.96Å; C96-P128 WeakPolarHBondContact CB-O 3.29Å; C96-C129 HydrophobicContact CB-CB 4.04Å; C96-C129 WeakPolarHBondContact CB-SG 3.36Å; C96-C129 WeakPolarHBondContact SG-CB 3.48Å; C96-C129 CovalentContact SG-SG 2.02Å; C96-C129 PolarHBondContact SG-SG 2.89Å |
| 97 | S | 89.7 | Confident | 77.5 | Confident | 62 Ų | 62 | 78.6 Ų | 78.6 | 43% | 0.434 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 148 | -174.5 | 56.9 | 0 | 0 | 0 | 0 | 112.3 | Y75 | Y75-S97 CarbonylContact O-C 3.43Å; Y75-S97 VanDerWaalsContact O-CA 3.29Å; Y75-S97 WeakPolarHBondContact O-CA 3.44Å |
| 98 | A | 90.7 | Very high | 79.4 | Confident | 11 Ų | 11 | 77.3 Ų | 77.3 | 9% | 0.091 | 44% | 0.441 | C | S | . | . | trans | -88.1 | 116.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y75 T100 A101 F124 P128 | Y75-A98 HydrophobicContact CD1-CB 3.95Å; Y75-A98 PolarHBondContact O-N 3.05Å; A98-T100 PolarHBondContact O-N 3.09Å; A98-A101 VanDerWaalsContact O-CB 3.3Å; A98-A101 WeakPolarHBondContact O-CB 3.42Å; A98-A101 PolarHBondContact O-N 3.48Å; A98-A101 VanDerWaalsContact O-N 3.12Å; A98-F124 HydrophobicContact CB-CB 4.19Å; A98-P128 HydrophobicContact CB-CB 4.37Å; A98-P128 HydrophobicContact CB-CG 4.1Å | ||
| 99 | L | 86.8 | Confident | 81.3 | Confident | 169 Ų | 169 | 73.4 Ų | 73.4 | 89% | 0.885 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -27.8 | 178.4 | -64.4 | 169.9 | 0 | 0 | 0 | 112.8 | A101 | L99-A101 VanDerWaalsContact C-N 3.26Å; L99-A101 PolarHBondContact O-N 2.87Å |
| 100 | T | 91 | Very high | 83.1 | Confident | 59 Ų | 59 | 73.6 Ų | 73.6 | 36% | 0.362 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.3 | -17.5 | 177.2 | 48.5 | 0 | 0 | 0 | 0 | 114.4 | A98 L102 Q103 K104 F124 | A98-T100 PolarHBondContact O-N 3.09Å; T100-L102 PolarHBondContact O-N 3.11Å; T100-Q103 PolarHBondContact O-N 3.28Å; T100-K104 PolarHBondContact O-N 2.89Å; T100-F124 WeakPolarHBondContact CB-O 3.01Å; T100-F124 PolarHBondContact OG1-O 3.5Å |
| 101 | A | 92.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -56.5 | -46.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | A98 L99 L105 F124 | A98-A101 VanDerWaalsContact O-CB 3.3Å; A98-A101 WeakPolarHBondContact O-CB 3.42Å; A98-A101 PolarHBondContact O-N 3.48Å; A98-A101 VanDerWaalsContact O-N 3.12Å; L99-A101 VanDerWaalsContact C-N 3.26Å; L99-A101 PolarHBondContact O-N 2.87Å; A101-L105 WeakPolarHBondContact O-CD1 3.47Å; A101-L105 PolarHBondContact O-N 2.82Å; A101-L105 VanDerWaalsContact O-N 3.08Å; A101-F124 HydrophobicContact CB-CD1 4.4Å |
| 102 | L | 94 | Very high | 86.6 | Confident | 64 Ų | 64 | 74 Ų | 74 | 34% | 0.335 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.1 | -44.9 | 178.3 | 178.6 | 56.3 | 0 | 0 | 0 | 111.9 | I70 A73 T100 K104 L105 L106 | I70-L102 HydrophobicContact CG2-CD1 3.6Å; A73-L102 HydrophobicContact CB-CB 4.47Å; A73-L102 HydrophobicContact CB-CD1 4.48Å; T100-L102 PolarHBondContact O-N 3.11Å; L102-K104 VanDerWaalsContact C-N 3.34Å; L102-K104 PolarHBondContact O-N 3.03Å; L102-L105 PolarHBondContact O-N 3.34Å; L102-L106 HydrophobicContact CD1-CD1 3.93Å; L102-L106 HydrophobicContact CD1-CG 4.08Å; L102-L106 HydrophobicContact CG-CD1 3.9Å; L102-L106 HydrophobicContact CG-CG 4.48Å; L102-L106 WeakPolarHBondContact O-CB 3.13Å; L102-L106 VanDerWaalsContact O-CG 3.28Å; L102-L106 WeakPolarHBondContact O-CG 3.05Å; L102-L106 PolarHBondContact O-N 3.32Å |
| 103 | Q | 93.6 | Very high | 88.1 | Confident | 151 Ų | 151 | 71.8 Ų | 71.8 | 71% | 0.706 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -64.1 | -39.4 | -179.3 | -172.8 | 174.4 | 0.1 | 0 | 0 | 111.9 | T100 L106 S107 | T100-Q103 PolarHBondContact O-N 3.28Å; Q103-L106 PolarHBondContact O-N 2.91Å; Q103-S107 PolarHBondContact O-N 2.98Å |
| 104 | K | 93.2 | Very high | 89.8 | Confident | 55 Ų | 55 | 69.9 Ų | 69.9 | 24% | 0.239 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -69.2 | -40.9 | 176.2 | -171.7 | 59.6 | 175.2 | 167.2 | 0 | 111.9 | T100 L102 L106 S107 E108 L123 F124 | T100-K104 PolarHBondContact O-N 2.89Å; L102-K104 VanDerWaalsContact C-N 3.34Å; L102-K104 PolarHBondContact O-N 3.03Å; K104-L106 VanDerWaalsContact C-N 3.26Å; K104-L106 PolarHBondContact O-N 2.87Å; K104-S107 PolarHBondContact O-N 2.9Å; K104-S107 PolarHBondContact O-OG 3.29Å; K104-E108 HydrophobicContact CD-CG 3.86Å; K104-E108 WeakPolarHBondContact CE-OE1 3.38Å; K104-E108 HydrophobicContact CG-CG 4.23Å; K104-E108 IonicContact NZ-OE1 2.79Å; K104-E108 PolarHBondContact NZ-OE1 2.84Å; K104-E108 IonicContact NZ-OE2 2.98Å; K104-E108 PolarHBondContact NZ-OE2 3.14Å; K104-E108 VanDerWaalsContact O-CG 3.31Å; K104-E108 WeakPolarHBondContact O-CG 3.05Å; K104-E108 PolarHBondContact O-N 3.32Å; K104-L123 HydrophobicContact CD-CG 4.49Å; K104-L123 HydrophobicContact CG-CD2 4.34Å; K104-L123 HydrophobicContact CG-CG 4.09Å; K104-F124 HydrophobicContact CB-CD1 4.04Å; K104-F124 HydrophobicContact CB-CE1 3.99Å; K104-F124 HydrophobicContact CG-CD1 4.24Å; K104-F124 HydrophobicContact CG-CE1 4.06Å |
| 105 | L | 94 | Very high | 91 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -68.3 | -28 | 174.4 | -92.1 | 69.9 | 0 | 0 | 0 | 112.9 | L58 I70 A73 A101 L102 C109 L117 F124 L136 V138 | L58-L105 HydrophobicContact CD2-CD2 4.01Å; I70-L105 HydrophobicContact CD1-CB 4.44Å; I70-L105 HydrophobicContact CG1-CB 4.34Å; A73-L105 HydrophobicContact CB-CD2 3.95Å; A101-L105 WeakPolarHBondContact O-CD1 3.47Å; A101-L105 PolarHBondContact O-N 2.82Å; A101-L105 VanDerWaalsContact O-N 3.08Å; L102-L105 PolarHBondContact O-N 3.34Å; L105-C109 WeakPolarHBondContact O-CB 3.14Å; L105-C109 PolarHBondContact O-N 2.99Å; L105-L117 HydrophobicContact CD1-CD2 3.52Å; L105-L117 HydrophobicContact CG-CD2 4.03Å; L105-F124 HydrophobicContact CD1-CE1 3.68Å; L105-F124 HydrophobicContact CD1-CZ 3.89Å; L105-L136 HydrophobicContact CD1-CD1 4.22Å; L105-L136 HydrophobicContact CD1-CD2 4.17Å; L105-L136 HydrophobicContact CD2-CD1 4.42Å; L105-L136 HydrophobicContact CD2-CD2 4.35Å; L105-V138 HydrophobicContact CD2-CB 4.14Å; L105-V138 HydrophobicContact CD2-CG1 3.62Å; L105-V138 HydrophobicContact CD2-CG2 3.35Å |
| 106 | L | 94.5 | Very high | 91.7 | Very high | 73 Ų | 73 | 64.5 Ų | 64.5 | 38% | 0.382 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -71.5 | -29.2 | 171.1 | -74.3 | 169 | 0 | 0 | 0 | 113.3 | I70 L102 Q103 K104 Q110 | I70-L106 HydrophobicContact CB-CD2 3.98Å; I70-L106 HydrophobicContact CG1-CD2 4.44Å; L102-L106 HydrophobicContact CD1-CD1 3.93Å; L102-L106 HydrophobicContact CD1-CG 4.08Å; L102-L106 HydrophobicContact CG-CD1 3.9Å; L102-L106 HydrophobicContact CG-CG 4.48Å; L102-L106 WeakPolarHBondContact O-CB 3.13Å; L102-L106 VanDerWaalsContact O-CG 3.28Å; L102-L106 WeakPolarHBondContact O-CG 3.05Å; L102-L106 PolarHBondContact O-N 3.32Å; Q103-L106 PolarHBondContact O-N 2.91Å; K104-L106 VanDerWaalsContact C-N 3.26Å; K104-L106 PolarHBondContact O-N 2.87Å; L106-Q110 HydrophobicContact CD2-CB 4.35Å; L106-Q110 HydrophobicContact CD2-CG 4.17Å; L106-Q110 WeakPolarHBondContact O-CB 3.47Å |
| 107 | S | 93.4 | Very high | 91.9 | Very high | 75 Ų | 75 | 63.9 Ų | 63.9 | 52% | 0.524 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -79.8 | -39.7 | 173.5 | 68.8 | 0 | 0 | 0 | 0 | 112.9 | Q103 K104 | Q103-S107 PolarHBondContact O-N 2.98Å; K104-S107 PolarHBondContact O-N 2.9Å; K104-S107 PolarHBondContact O-OG 3.29Å |
| 108 | E | 92.6 | Very high | 92 | Very high | 74 Ų | 74 | 64.9 Ų | 64.9 | 35% | 0.346 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -91 | -31.3 | -172.2 | -50.9 | -54.2 | 117.1 | 0 | 0 | 114.6 | K104 L112 L117 | K104-E108 HydrophobicContact CD-CG 3.86Å; K104-E108 WeakPolarHBondContact CE-OE1 3.38Å; K104-E108 HydrophobicContact CG-CG 4.23Å; K104-E108 IonicContact NZ-OE1 2.79Å; K104-E108 PolarHBondContact NZ-OE1 2.84Å; K104-E108 IonicContact NZ-OE2 2.98Å; K104-E108 PolarHBondContact NZ-OE2 3.14Å; K104-E108 VanDerWaalsContact O-CG 3.31Å; K104-E108 WeakPolarHBondContact O-CG 3.05Å; K104-E108 PolarHBondContact O-N 3.32Å; E108-L112 WeakPolarHBondContact O-CD1 3.49Å; E108-L117 HydrophobicContact CB-CD1 3.71Å; E108-L117 HydrophobicContact CG-CD1 3.71Å |
| 109 | C | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | -16.8 | -171.3 | -62.2 | 0 | 0 | 0 | 0 | 115.1 | L60 I68 I70 L105 L112 C115 | L60-C109 HydrophobicContact CD1-CB 4.17Å; I68-C109 WeakPolarHBondContact CB-O 3.48Å; I68-C109 HydrophobicContact CG2-CB 4.47Å; I70-C109 HydrophobicContact CD1-CB 4.29Å; L105-C109 WeakPolarHBondContact O-CB 3.14Å; L105-C109 PolarHBondContact O-N 2.99Å; C109-L112 PolarHBondContact O-N 3.04Å; C109-C115 WeakPolarHBondContact CA-SG 3.46Å; C109-C115 HydrophobicContact CB-CB 3.55Å; C109-C115 WeakPolarHBondContact CB-SG 3.4Å; C109-C115 WeakPolarHBondContact SG-CB 3.22Å; C109-C115 CovalentContact SG-SG 2.04Å; C109-C115 PolarHBondContact SG-SG 3.28Å |
| 110 | Q | 93.1 | Very high | 92 | Very high | 44 Ų | 44 | 58 Ų | 58 | 21% | 0.206 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.3 | 137.3 | -174.3 | -171 | 69.7 | -6.4 | 0 | 0 | 111.4 | I68 S69 L106 L112 | I68-Q110 PolarHBondContact O-OE1 3.09Å; S69-Q110 VanDerWaalsContact CA-OE1 3.31Å; L106-Q110 HydrophobicContact CD2-CB 4.35Å; L106-Q110 HydrophobicContact CD2-CG 4.17Å; L106-Q110 WeakPolarHBondContact O-CB 3.47Å; Q110-L112 PolarHBondContact O-N 2.9Å; Q110-L112 VanDerWaalsContact O-N 3.08Å |
| 111 | N | 88.9 | Confident | 91.7 | Very high | 95 Ų | 95 | 58.2 Ų | 58.2 | 51% | 0.508 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.1 | 1 | -176.9 | -46.8 | -50.8 | 0 | 0 | 0 | 115.6 | T67 I68 K143 | T67-N111 WeakPolarHBondContact CB-O 3.41Å; T67-N111 WeakPolarHBondContact CG2-O 3.35Å; I68-N111 PolarHBondContact O-N 2.67Å; N111-K143 VanDerWaalsContact OD1-CE 3.32Å; N111-K143 WeakPolarHBondContact OD1-CE 3.16Å; N111-K143 PolarHBondContact OD1-NZ 2.94Å |
| 112 | L | 89.7 | Confident | 91.3 | Very high | 80 Ų | 80 | 64.8 Ų | 64.8 | 42% | 0.419 | 33% | 0.331 | S | S | . | . | trans | -77.6 | 154.2 | 168.8 | -59.8 | -170.1 | 0 | 0 | 0 | 110.6 | T67 I68 E108 C109 Q110 C115 | T67-L112 CarbonylContact C-O 3.57Å; T67-L112 VanDerWaalsContact CA-O 3.31Å; T67-L112 WeakPolarHBondContact CA-O 3.18Å; T67-L112 WeakPolarHBondContact CB-O 3.47Å; I68-L112 WeakPolarHBondContact CG1-O 3.3Å; I68-L112 PolarHBondContact N-O 2.93Å; E108-L112 WeakPolarHBondContact O-CD1 3.49Å; C109-L112 PolarHBondContact O-N 3.04Å; Q110-L112 PolarHBondContact O-N 2.9Å; Q110-L112 VanDerWaalsContact O-N 3.08Å; L112-C115 HydrophobicContact CD1-CB 4.49Å | ||
| 113 | R | 86.1 | Confident | 90.9 | Very high | 96 Ų | 96 | 64 Ų | 64 | 36% | 0.362 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -78.8 | -39.5 | 169.3 | -179.9 | -179.7 | 158.7 | -134.3 | -14.9 | 111.5 | H61 C62 | H61-R113 PolarHBondContact CE1-NH2 2.81Å; H61-R113 PolarHBondContact NE2-NH2 2.94Å; C62-R113 PolarHBondContact N-O 3.46Å; C62-R113 WeakPolarHBondContact O-CG 3.34Å; C62-R113 PolarHBondContact O-NE 2.93Å |
| 114 | E | 92.1 | Very high | 90.6 | Very high | 107 Ų | 107 | 57 Ų | 57 | 50% | 0.5 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 135.2 | -179.1 | -177.4 | 163.1 | 176.4 | 0 | 0 | 108.3 | L60 H61 | L60-E114 WeakPolarHBondContact O-CA 3.41Å; H61-E114 IonicContact CE1-OE2 3.4Å; H61-E114 PolarHBondContact CE1-OE2 3.42Å; H61-E114 VanDerWaalsContact ND1-CD 3.25Å; H61-E114 IonicContact ND1-OE1 3.53Å; H61-E114 IonicContact ND1-OE2 2.69Å; H61-E114 PolarHBondContact ND1-OE2 2.03Å |
| 115 | C | 94.4 | Very high | 90.2 | Very high | 8 Ų | 8 | 56.5 Ų | 56.5 | 5% | 0.054 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 126.2 | 178.9 | -171.4 | 0 | 0 | 0 | 0 | 109.1 | R59 L60 I68 C109 L112 | R59-C115 WeakPolarHBondContact CA-O 3.38Å; L60-C115 HydrophobicContact CB-CB 4.33Å; L60-C115 PolarHBondContact N-O 3.1Å; L60-C115 PolarHBondContact O-N 2.85Å; I68-C115 HydrophobicContact CD1-CB 3.78Å; C109-C115 WeakPolarHBondContact CA-SG 3.46Å; C109-C115 HydrophobicContact CB-CB 3.55Å; C109-C115 WeakPolarHBondContact CB-SG 3.4Å; C109-C115 WeakPolarHBondContact SG-CB 3.22Å; C109-C115 CovalentContact SG-SG 2.04Å; C109-C115 PolarHBondContact SG-SG 3.28Å; L112-C115 HydrophobicContact CD1-CB 4.49Å |
| 116 | Q | 94.7 | Very high | 89.7 | Confident | 112 Ų | 112 | 65.7 Ų | 65.7 | 52% | 0.523 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 122.4 | 169.6 | -175.6 | 176.8 | -60.1 | 0 | 0 | 108.8 | P57 L58 R59 | P57-Q116 HydrophobicContact CB-CG 4.07Å; L58-Q116 CarbonylContact O-C 3.53Å; L58-Q116 VanDerWaalsContact O-CA 3.3Å; L58-Q116 WeakPolarHBondContact O-CA 3.43Å; R59-Q116 HydrophobicContact CG-CG 4.22Å |
| 117 | L | 91.6 | Very high | 89.4 | Confident | 6 Ų | 6 | 63.9 Ų | 63.9 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 122.6 | -170.3 | -166.7 | 72.3 | 0 | 0 | 0 | 111.1 | P57 L58 L105 E108 V119 L123 F124 | P57-L117 CarbonylContact C-O 3.53Å; P57-L117 WeakPolarHBondContact CA-O 3.35Å; L58-L117 HydrophobicContact CB-CB 4.36Å; L58-L117 PolarHBondContact N-O 3.44Å; L58-L117 PolarHBondContact O-N 3.48Å; L105-L117 HydrophobicContact CD1-CD2 3.52Å; L105-L117 HydrophobicContact CG-CD2 4.03Å; E108-L117 HydrophobicContact CB-CD1 3.71Å; E108-L117 HydrophobicContact CG-CD1 3.71Å; L117-V119 PolarHBondContact O-N 2.74Å; L117-L123 HydrophobicContact CD1-CD2 3.75Å; L117-L123 HydrophobicContact CD2-CD2 3.79Å; L117-L123 HydrophobicContact CG-CD2 3.58Å; L117-F124 HydrophobicContact CD2-CZ 4.45Å |
| 118 | P | 90.8 | Very high | 89 | Confident | 84 Ų | 84 | 61.9 Ų | 61.9 | 55% | 0.545 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 114.9 | 177.9 | 28.7 | -32.9 | 0 | 0 | 0 | 110 | S120 L123 | P118-S120 PolarHBondContact O-N 2.92Å; P118-L123 WeakPolarHBondContact O-CD2 3.3Å |
| 119 | V | 90.4 | Very high | 88.7 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | trans | -76.4 | 111.7 | 176.8 | -177.3 | 0 | 0 | 0 | 0 | 108.8 | A52 C53 G55 T56 L58 Y75 L117 F124 L136 | A52-V119 HydrophobicContact CB-CG2 3.72Å; C53-V119 WeakPolarHBondContact O-CB 3.48Å; G55-V119 PolarHBondContact N-O 3.01Å; T56-V119 VanDerWaalsContact O-CB 3.28Å; T56-V119 WeakPolarHBondContact O-CB 3.35Å; T56-V119 VanDerWaalsContact O-CG2 3.32Å; T56-V119 WeakPolarHBondContact O-CG2 3.42Å; T56-V119 PolarHBondContact O-N 2.89Å; L58-V119 HydrophobicContact CB-CG2 4.03Å; Y75-V119 HydrophobicContact CD2-CG1 3.94Å; Y75-V119 HydrophobicContact CE2-CG1 3.55Å; L117-V119 PolarHBondContact O-N 2.74Å; V119-F124 HydrophobicContact CG1-CE2 4.31Å; V119-L136 HydrophobicContact CG1-CB 3.83Å; V119-L136 HydrophobicContact CG2-CB 3.95Å; V119-L136 HydrophobicContact CG2-CD2 3.57Å; V119-L136 HydrophobicContact CG2-CG 4.43Å | ||
| 120 | S | 87.8 | Confident | 88.3 | Confident | 32 Ų | 32 | 63.7 Ų | 63.7 | 22% | 0.224 | 34% | 0.338 | C | S | . | . | trans | -151.5 | 147 | 174.4 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | D54 P118 L122 L123 F124 | D54-S120 WeakPolarHBondContact OD1-CA 3.19Å; P118-S120 PolarHBondContact O-N 2.92Å; S120-L122 PolarHBondContact O-N 2.96Å; S120-L122 PolarHBondContact OG-N 3.36Å; S120-L123 WeakPolarHBondContact O-CB 3.47Å; S120-L123 PolarHBondContact O-N 2.9Å; S120-F124 VanDerWaalsContact O-CD2 3.23Å; S120-F124 WeakPolarHBondContact O-CD2 3.07Å | ||
| 121 | H | 84.1 | Confident | 87.7 | Confident | 64 Ų | 64 | 65.7 Ų | 65.7 | 30% | 0.296 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -53.4 | -35.9 | 171.1 | 62.8 | -88.5 | 0 | 0 | 0 | 112.2 | Y75 L123 F124 G125 D127 | Y75-H121 HydrophobicContact CE1-CB 4.32Å; Y75-H121 PolarHBondContact OH-N 2.9Å; H121-L123 PolarHBondContact O-N 3.13Å; H121-L123 VanDerWaalsContact O-N 3.14Å; H121-F124 CarbonylContact O-C 3.6Å; H121-F124 PolarHBondContact O-N 3.46Å; H121-G125 CarbonylContact O-C 3.55Å; H121-G125 PolarHBondContact O-N 2.92Å; H121-D127 HydrophobicContact CB-CB 4.05Å |
| 122 | L | 85.1 | Confident | 87.3 | Confident | 139 Ų | 139 | 63.2 Ų | 63.2 | 73% | 0.728 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -55.5 | -31.9 | 177 | -62.3 | 176.3 | 0 | 0 | 0 | 113.5 | S120 | S120-L122 PolarHBondContact O-N 2.96Å; S120-L122 PolarHBondContact OG-N 3.36Å |
| 123 | L | 85.5 | Confident | 87 | Confident | 46 Ų | 46 | 64.2 Ų | 64.2 | 24% | 0.241 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -77.9 | -27.1 | 178.4 | -167.8 | 76 | 0 | 0 | 0 | 112.5 | K104 L117 P118 S120 H121 | K104-L123 HydrophobicContact CD-CG 4.49Å; K104-L123 HydrophobicContact CG-CD2 4.34Å; K104-L123 HydrophobicContact CG-CG 4.09Å; L117-L123 HydrophobicContact CD1-CD2 3.75Å; L117-L123 HydrophobicContact CD2-CD2 3.79Å; L117-L123 HydrophobicContact CG-CD2 3.58Å; P118-L123 WeakPolarHBondContact O-CD2 3.3Å; S120-L123 WeakPolarHBondContact O-CB 3.47Å; S120-L123 PolarHBondContact O-N 2.9Å; H121-L123 PolarHBondContact O-N 3.13Å; H121-L123 VanDerWaalsContact O-N 3.14Å |
| 124 | F | 86.9 | Confident | 87 | Confident | 5 Ų | 5 | 60.1 Ų | 60.1 | 2% | 0.022 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -104.4 | -0.8 | -177 | -57.7 | -64.7 | 0 | 0 | 0 | 113.2 | Y75 A98 T100 A101 K104 L105 L117 V119 S120 H121 L136 | Y75-F124 HydrophobicContact CD1-CB 3.88Å; Y75-F124 AromaticContact CD1-CD2 3.43Å; Y75-F124 HydrophobicContact CD1-CD2 3.43Å; Y75-F124 VanDerWaalsContact CD1-CD2 3.43Å; Y75-F124 HydrophobicContact CD1-CE2 4.23Å; Y75-F124 AromaticContact CD1-CG 3.83Å; Y75-F124 HydrophobicContact CD1-CG 3.83Å; Y75-F124 HydrophobicContact CD2-CD2 4.04Å; Y75-F124 HydrophobicContact CD2-CE2 4.04Å; Y75-F124 HydrophobicContact CE1-CB 4.27Å; Y75-F124 AromaticContact CE1-CD2 3.71Å; Y75-F124 HydrophobicContact CE1-CD2 3.71Å; Y75-F124 HydrophobicContact CE1-CG 4.36Å; Y75-F124 HydrophobicContact CE2-CD2 4.29Å; Y75-F124 HydrophobicContact CE2-CE2 4.4Å; Y75-F124 AromaticContact CG-CD2 3.6Å; Y75-F124 HydrophobicContact CG-CD2 3.6Å; Y75-F124 AromaticContact CG-CE2 3.94Å; Y75-F124 HydrophobicContact CG-CE2 3.94Å; Y75-F124 HydrophobicContact CG-CG 4.18Å; A98-F124 HydrophobicContact CB-CB 4.19Å; T100-F124 WeakPolarHBondContact CB-O 3.01Å; T100-F124 PolarHBondContact OG1-O 3.5Å; A101-F124 HydrophobicContact CB-CD1 4.4Å; K104-F124 HydrophobicContact CB-CD1 4.04Å; K104-F124 HydrophobicContact CB-CE1 3.99Å; K104-F124 HydrophobicContact CG-CD1 4.24Å; K104-F124 HydrophobicContact CG-CE1 4.06Å; L105-F124 HydrophobicContact CD1-CE1 3.68Å; L105-F124 HydrophobicContact CD1-CZ 3.89Å; L117-F124 HydrophobicContact CD2-CZ 4.45Å; V119-F124 HydrophobicContact CG1-CE2 4.31Å; S120-F124 VanDerWaalsContact O-CD2 3.23Å; S120-F124 WeakPolarHBondContact O-CD2 3.07Å; H121-F124 CarbonylContact O-C 3.6Å; H121-F124 PolarHBondContact O-N 3.46Å; F124-L136 HydrophobicContact CZ-CD1 4.07Å; F124-L136 HydrophobicContact CZ-CD2 4.03Å |
| 125 | G | 84.3 | Confident | 86.9 | Confident | 44 Ų | 44 | 55.8 Ų | 55.8 | 45% | 0.454 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 100.2 | -128.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | H121 | H121-G125 CarbonylContact O-C 3.55Å; H121-G125 PolarHBondContact O-N 2.92Å |
| 126 | K | 85 | Confident | 86.8 | Confident | 194 Ų | 194 | 55.4 Ų | 55.4 | 84% | 0.843 | 32% | 0.322 | S | S | * | . | S | Bend | trans | -70.3 | 134.2 | 177.3 | -173.5 | 177 | -179.5 | 179.9 | 0 | 109.8 | P128 | K126-P128 WeakPolarHBondContact O-CD 3.45Å; K126-P128 VanDerWaalsContact O-N 3.16Å |
| 127 | D | 87.4 | Confident | 86.6 | Confident | 35 Ų | 35 | 53.3 Ų | 53.3 | 19% | 0.187 | 31% | 0.312 | C | S | . | . | trans | -56.2 | 118.1 | 175.9 | -173.6 | -10.7 | 0 | 0 | 0 | 110.4 | H121 C129 P130 K134 | H121-D127 HydrophobicContact CB-CB 4.05Å; D127-C129 PolarHBondContact O-N 2.8Å; D127-C129 PolarHBondContact OD1-N 2.78Å; D127-P130 HydrophobicContact CB-CG 4.33Å; D127-P130 WeakPolarHBondContact OD2-CA 3.48Å; D127-K134 WeakPolarHBondContact OD1-CD 3.3Å; D127-K134 WeakPolarHBondContact OD1-CE 3.22Å; D127-K134 IonicContact OD1-NZ 2.82Å; D127-K134 PolarHBondContact OD1-NZ 2.78Å; D127-K134 IonicContact OD2-NZ 3.36Å; D127-K134 PolarHBondContact OD2-NZ 3Å | ||
| 128 | P | 85.4 | Confident | 86.7 | Confident | 33 Ų | 33 | 53 Ų | 53 | 21% | 0.214 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -71.1 | -15.9 | 179 | 31.1 | -37.5 | 0 | 0 | 0 | 112.7 | Y75 C96 A98 K126 K134 | Y75-P128 HydrophobicContact CD1-CG 4.28Å; Y75-P128 HydrophobicContact CE1-CG 4.3Å; C96-P128 WeakPolarHBondContact CB-O 3.29Å; A98-P128 HydrophobicContact CB-CB 4.37Å; A98-P128 HydrophobicContact CB-CG 4.1Å; K126-P128 WeakPolarHBondContact O-CD 3.45Å; K126-P128 VanDerWaalsContact O-N 3.16Å; P128-K134 HydrophobicContact CG-CD 4.05Å |
| 129 | C | 86.3 | Confident | 86.8 | Confident | 10 Ų | 10 | 51.1 Ų | 51.1 | 7% | 0.068 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -155.6 | 79.9 | -177.6 | -109.9 | 0 | 0 | 0 | 0 | 112.1 | C96 D127 K132 K134 | C96-C129 HydrophobicContact CB-CB 4.04Å; C96-C129 WeakPolarHBondContact CB-SG 3.36Å; C96-C129 WeakPolarHBondContact SG-CB 3.48Å; C96-C129 CovalentContact SG-SG 2.02Å; C96-C129 PolarHBondContact SG-SG 2.89Å; D127-C129 PolarHBondContact O-N 2.8Å; D127-C129 PolarHBondContact OD1-N 2.78Å; C129-K132 HydrophobicContact CB-CB 4.18Å; C129-K132 HydrophobicContact CB-CD 4.17Å; C129-K132 HydrophobicContact CB-CG 4.21Å; C129-K132 PolarHBondContact O-N 2.87Å; C129-K132 WeakPolarHBondContact SG-CD 3.21Å; C129-K132 WeakPolarHBondContact SG-CE 3.39Å; C129-K132 PolarHBondContact SG-NZ 2.04Å; C129-K134 HydrophobicContact CB-CD 4.43Å; C129-K134 HydrophobicContact CB-CG 4.47Å; C129-K134 PolarHBondContact O-NZ 2.87Å |
| 130 | P | 85.4 | Confident | 86.8 | Confident | 102 Ų | 102 | 51.5 Ų | 51.5 | 66% | 0.662 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 138.4 | 170.3 | -24 | 34.5 | 0 | 0 | 0 | 111.3 | D127 K132 | D127-P130 HydrophobicContact CB-CG 4.33Å; D127-P130 WeakPolarHBondContact OD2-CA 3.48Å; P130-K132 PolarHBondContact O-N 3.07Å |
| 131 | G | 79.8 | Confident | 86.8 | Confident | 85 Ų | 85 | 53.6 Ų | 53.6 | 88% | 0.876 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 12.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 132 | K | 81.2 | Confident | 86.8 | Confident | 43 Ų | 43 | 50.6 Ų | 50.6 | 19% | 0.187 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -116 | 147.4 | 165 | -51 | -167.1 | -165.8 | 161.8 | 0 | 110.7 | H94 C129 P130 K134 | H94-K132 PolarHBondContact O-NZ 2.79Å; C129-K132 HydrophobicContact CB-CB 4.18Å; C129-K132 HydrophobicContact CB-CD 4.17Å; C129-K132 HydrophobicContact CB-CG 4.21Å; C129-K132 PolarHBondContact O-N 2.87Å; C129-K132 WeakPolarHBondContact SG-CD 3.21Å; C129-K132 WeakPolarHBondContact SG-CE 3.39Å; C129-K132 PolarHBondContact SG-NZ 2.04Å; P130-K132 PolarHBondContact O-N 3.07Å; K132-K134 PolarHBondContact O-N 2.85Å; K132-K134 PolarHBondContact O-NZ 2.03Å |
| 133 | N | 81.8 | Confident | 86.4 | Confident | 102 Ų | 102 | 47.4 Ų | 47.4 | 55% | 0.545 | 27% | 0.269 | S | S | . | . | trans | -60.5 | 133.1 | 164.6 | -65.4 | 19.6 | 0 | 0 | 0 | 108.9 | S77 C83 | S77-N133 WeakPolarHBondContact CB-O 3.23Å; S77-N133 PolarHBondContact OG-O 2.84Å; C83-N133 PolarHBondContact O-ND2 3.2Å | ||
| 134 | K | 87.9 | Confident | 85.9 | Confident | 9 Ų | 9 | 46.6 Ų | 46.6 | 4% | 0.039 | 27% | 0.267 | C | S | . | . | trans | -118.4 | 146.6 | 179.3 | -67.6 | 174.9 | -70.3 | -78 | 0 | 109.9 | D54 Y75 G76 D127 P128 C129 K132 | D54-K134 HydrophobicContact CB-CB 4.25Å; D54-K134 PolarHBondContact N-O 2.96Å; D54-K134 WeakPolarHBondContact OD2-CE 3Å; D54-K134 IonicContact OD2-NZ 2.99Å; Y75-K134 HydrophobicContact CE1-CD 4.12Å; Y75-K134 HydrophobicContact CE2-CB 3.92Å; Y75-K134 WeakPolarHBondContact OH-CE 3.41Å; G76-K134 CarbonylContact O-C 3.51Å; G76-K134 VanDerWaalsContact O-CA 3.22Å; G76-K134 WeakPolarHBondContact O-CA 3.04Å; D127-K134 WeakPolarHBondContact OD1-CD 3.3Å; D127-K134 WeakPolarHBondContact OD1-CE 3.22Å; D127-K134 IonicContact OD1-NZ 2.82Å; D127-K134 PolarHBondContact OD1-NZ 2.78Å; D127-K134 IonicContact OD2-NZ 3.36Å; D127-K134 PolarHBondContact OD2-NZ 3Å; P128-K134 HydrophobicContact CG-CD 4.05Å; C129-K134 HydrophobicContact CB-CD 4.43Å; C129-K134 HydrophobicContact CB-CG 4.47Å; C129-K134 PolarHBondContact O-NZ 2.87Å; K132-K134 PolarHBondContact O-N 2.85Å; K132-K134 PolarHBondContact O-NZ 2.03Å | ||
| 135 | Y | 89.1 | Confident | 84.9 | Confident | 16 Ų | 16 | 48.9 Ų | 48.9 | 6% | 0.063 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 147.7 | 171.1 | 60.5 | -97 | 0 | 0 | 0 | 110 | A52 F74 Y75 G76 V80 L82 H137 | A52-Y135 CarbonylContact O-C 3.45Å; A52-Y135 WeakPolarHBondContact O-CA 3.33Å; F74-Y135 HydrophobicContact CD1-CD2 4.24Å; F74-Y135 AromaticContact CD1-CE2 3.71Å; F74-Y135 HydrophobicContact CD1-CE2 3.71Å; F74-Y135 HydrophobicContact CE1-CD2 4.24Å; F74-Y135 AromaticContact CE1-CE2 3.58Å; F74-Y135 HydrophobicContact CE1-CE2 3.58Å; F74-Y135 AromaticContact CE1-CZ 3.77Å; Y75-Y135 WeakPolarHBondContact CA-O 3.44Å; G76-Y135 PolarHBondContact N-O 3.25Å; G76-Y135 PolarHBondContact O-N 3.49Å; V80-Y135 VanDerWaalsContact O-CE1 3.26Å; V80-Y135 WeakPolarHBondContact O-CE1 3.37Å; L82-Y135 HydrophobicContact CB-CD1 3.76Å; L82-Y135 HydrophobicContact CB-CD2 4.41Å; L82-Y135 HydrophobicContact CB-CE1 4.25Å; L82-Y135 HydrophobicContact CB-CG 3.85Å; L82-Y135 HydrophobicContact CD2-CD2 4.12Å; L82-Y135 HydrophobicContact CD2-CG 4.31Å; Y135-H137 HydrophobicContact CD2-CB 4.06Å; Y135-H137 HydrophobicContact CE2-CB 4.07Å |
| 136 | L | 91.8 | Very high | 84.4 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 125.8 | 163.1 | 179.7 | 65.3 | 0 | 0 | 0 | 107.5 | H51 A52 L58 F74 Y75 L105 V119 F124 V138 | H51-L136 CarbonylContact C-O 3.5Å; H51-L136 WeakPolarHBondContact CA-O 3.43Å; H51-L136 WeakPolarHBondContact CB-O 3.43Å; A52-L136 PolarHBondContact N-O 2.8Å; A52-L136 PolarHBondContact O-N 2.03Å; L58-L136 HydrophobicContact CB-CD2 4.18Å; L58-L136 HydrophobicContact CD2-CD2 3.78Å; L58-L136 HydrophobicContact CG-CD2 4.39Å; F74-L136 CarbonylContact O-C 3.56Å; F74-L136 WeakPolarHBondContact O-CA 3.3Å; Y75-L136 HydrophobicContact CD2-CB 4.09Å; L105-L136 HydrophobicContact CD1-CD1 4.22Å; L105-L136 HydrophobicContact CD1-CD2 4.17Å; L105-L136 HydrophobicContact CD2-CD1 4.42Å; L105-L136 HydrophobicContact CD2-CD2 4.35Å; V119-L136 HydrophobicContact CG1-CB 3.83Å; V119-L136 HydrophobicContact CG2-CB 3.95Å; V119-L136 HydrophobicContact CG2-CD2 3.57Å; V119-L136 HydrophobicContact CG2-CG 4.43Å; F124-L136 HydrophobicContact CZ-CD1 4.07Å; F124-L136 HydrophobicContact CZ-CD2 4.03Å; L136-V138 HydrophobicContact CD1-CG2 4.23Å; L136-V138 HydrophobicContact CD2-CG2 4.2Å; L136-V138 HydrophobicContact CG-CG2 3.83Å |
| 137 | H | 91.9 | Very high | 84.2 | Confident | 69 Ų | 69 | 45.8 Ų | 45.8 | 32% | 0.319 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 133.5 | 170.4 | -175.2 | 92.6 | 0 | 0 | 0 | 108.9 | A73 F74 Y135 | A73-H137 CarbonylContact C-O 3.55Å; A73-H137 WeakPolarHBondContact CA-O 3.32Å; F74-H137 PolarHBondContact N-O 2.91Å; F74-H137 PolarHBondContact O-N 2.73Å; Y135-H137 HydrophobicContact CD2-CB 4.06Å; Y135-H137 HydrophobicContact CE2-CB 4.07Å |
| 138 | V | 93.1 | Very high | 84.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 129.9 | -170.9 | -169.9 | 0 | 0 | 0 | 0 | 109.1 | S49 A50 L58 L60 I70 L105 L136 | S49-V138 CarbonylContact C-O 3.59Å; S49-V138 VanDerWaalsContact CA-O 3.29Å; S49-V138 WeakPolarHBondContact CA-O 3.43Å; A50-V138 PolarHBondContact N-O 2.9Å; A50-V138 PolarHBondContact O-N 2.79Å; L58-V138 HydrophobicContact CD1-CG2 4.13Å; L58-V138 HydrophobicContact CD2-CG2 3.82Å; L60-V138 HydrophobicContact CD1-CG1 4.4Å; I70-V138 HydrophobicContact CD1-CG1 4.04Å; I70-V138 HydrophobicContact CG2-CG1 4.48Å; L105-V138 HydrophobicContact CD2-CB 4.14Å; L105-V138 HydrophobicContact CD2-CG1 3.62Å; L105-V138 HydrophobicContact CD2-CG2 3.35Å; L136-V138 HydrophobicContact CD1-CG2 4.23Å; L136-V138 HydrophobicContact CD2-CG2 4.2Å; L136-V138 HydrophobicContact CG-CG2 3.83Å |
| 139 | N | 92.9 | Very high | 84.5 | Confident | 43 Ų | 43 | 51 Ų | 51 | 23% | 0.23 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 124.8 | 167.7 | -171.6 | -0 | 0 | 0 | 0 | 108.6 | S47 Q48 Q71 S72 | S47-N139 VanDerWaalsContact CB-OD1 3.28Å; S47-N139 WeakPolarHBondContact CB-OD1 3.3Å; S47-N139 PolarHBondContact OG-ND2 3.19Å; S47-N139 PolarHBondContact OG-OD1 3.25Å; Q48-N139 CarbonylContact O-C 3.5Å; Q48-N139 WeakPolarHBondContact O-CA 3.28Å; Q48-N139 PolarHBondContact O-OD1 3.27Å; Q71-N139 WeakPolarHBondContact CA-O 3.25Å; Q71-N139 HydrophobicContact CB-CB 4.46Å; Q71-N139 WeakPolarHBondContact CB-O 3.45Å; Q71-N139 PolarHBondContact N-O 2.85Å; S72-N139 PolarHBondContact N-O 2.85Å; S72-N139 VanDerWaalsContact N-O 3.13Å; S72-N139 PolarHBondContact O-N 3.38Å; S72-N139 WeakPolarHBondContact OG-CB 3.22Å |
| 140 | Y | 91 | Very high | 84.9 | Confident | 11 Ų | 11 | 53.4 Ų | 53.4 | 4% | 0.043 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 165.6 | -176.2 | 72.9 | -74.2 | 0 | 0 | 0 | 111.8 | Q48 A50 L60 I68 S69 | Q48-Y140 HydrophobicContact CB-CD1 3.88Å; Q48-Y140 HydrophobicContact CB-CE1 3.54Å; Q48-Y140 HydrophobicContact CB-CE2 4.26Å; Q48-Y140 HydrophobicContact CB-CG 4.37Å; Q48-Y140 PolarHBondContact N-O 2.93Å; Q48-Y140 PolarHBondContact NE2-OH 3.43Å; Q48-Y140 VanDerWaalsContact O-CD1 3.24Å; Q48-Y140 WeakPolarHBondContact O-CD1 3.4Å; Q48-Y140 PolarHBondContact O-N 2.92Å; A50-Y140 HydrophobicContact CB-CE1 3.89Å; L60-Y140 HydrophobicContact CD2-CD1 3.95Å; L60-Y140 HydrophobicContact CD2-CE1 3.68Å; I68-Y140 HydrophobicContact CG2-CD2 4.21Å; S69-Y140 WeakPolarHBondContact O-CA 3.4Å |
| 141 | K | 87.8 | Confident | 85.3 | Confident | 75 Ų | 75 | 51.4 Ų | 51.4 | 33% | 0.326 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 149.8 | 172.6 | -67.5 | -179.4 | -180 | 177.6 | 0 | 109.7 | S47 S69 Q71 | S47-K141 VanDerWaalsContact OG-CE 3.23Å; S47-K141 WeakPolarHBondContact OG-CE 3.29Å; S69-K141 WeakPolarHBondContact CB-O 3.41Å; S69-K141 PolarHBondContact N-O 3.22Å; S69-K141 PolarHBondContact O-N 3Å; Q71-K141 HydrophobicContact CG-CD 4.34Å; Q71-K141 HydrophobicContact CG-CG 4.07Å |
| 142 | C | 83.7 | Confident | 86.1 | Confident | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.014 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 111.6 | 173.2 | -63.7 | 0 | 0 | 0 | 0 | 110.3 | I44 C62 T67 | I44-C142 HydrophobicContact CB-CB 4.5Å; I44-C142 HydrophobicContact CG1-CB 3.58Å; I44-C142 WeakPolarHBondContact CG1-O 3.46Å; C62-C142 WeakPolarHBondContact CA-SG 3.48Å; C62-C142 HydrophobicContact CB-CB 3.74Å; C62-C142 WeakPolarHBondContact CB-SG 3.46Å; C62-C142 VanDerWaalsContact SG-CA 3.51Å; C62-C142 WeakPolarHBondContact SG-CB 3.46Å; C62-C142 CovalentContact SG-SG 2.03Å; C62-C142 PolarHBondContact SG-SG 3.06Å; T67-C142 CarbonylContact O-C 3.58Å; T67-C142 WeakPolarHBondContact O-CA 3.5Å |
| 143 | K | 77.1 | Confident | 86.7 | Confident | 71 Ų | 71 | 46.5 Ų | 46.5 | 31% | 0.309 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 148.4 | 176.8 | 63.6 | 179.8 | 177.1 | -175 | 0 | 110.8 | S66 T67 N111 | S66-K143 CarbonylContact C-O 3.54Å; S66-K143 WeakPolarHBondContact CA-O 3.32Å; S66-K143 WeakPolarHBondContact CB-O 3.17Å; T67-K143 PolarHBondContact N-O 2.75Å; T67-K143 PolarHBondContact O-N 2.77Å; N111-K143 VanDerWaalsContact OD1-CE 3.32Å; N111-K143 WeakPolarHBondContact OD1-CE 3.16Å; N111-K143 PolarHBondContact OD1-NZ 2.94Å |
| 144 | P | 73.4 | Confident | 87.3 | Confident | 30 Ų | 30 | 43.8 Ų | 43.8 | 20% | 0.195 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 138.6 | 174.2 | -30 | 40.2 | 0 | 0 | 0 | 112.9 | H65 H147 Y171 | H65-P144 WeakPolarHBondContact O-CA 3.29Å; P144-H147 PolarHBondContact O-CE1 3.21Å; P144-Y171 WeakPolarHBondContact CG-OH 3.46Å |
| 145 | S | 67.2 | Low | 87.5 | Confident | 53 Ų | 53 | 46.8 Ų | 46.8 | 37% | 0.371 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -86.2 | -34.7 | -171.5 | 66.4 | 0 | 0 | 0 | 0 | 113.6 | H65 | H65-S145 VanDerWaalsContact CA-OG 3.3Å; H65-S145 WeakPolarHBondContact CA-OG 3.02Å; H65-S145 PolarHBondContact O-N 2.82Å; H65-S145 PolarHBondContact O-OG 3.22Å |
| 146 | E | 72.9 | Confident | 87.8 | Confident | 82 Ų | 82 | 50.3 Ų | 50.3 | 38% | 0.383 | 27% | 0.274 | S | S | . | . | trans | -106.7 | 100 | -176.4 | -72.1 | 170.5 | -118 | 0 | 0 | 110.6 | H65 K148 S242 | H65-E146 IonicContact CE1-OE1 2.68Å; H65-E146 IonicContact CG-OE1 3.85Å; H65-E146 IonicContact ND1-OE1 2.81Å; H65-E146 PolarHBondContact ND1-OE1 3.13Å; E146-K148 WeakPolarHBondContact OE2-CE 3.44Å; E146-K148 IonicContact OE2-NZ 2.72Å; E146-K148 PolarHBondContact OE2-NZ 3.19Å; E146-S242 WeakPolarHBondContact O-CB 3.32Å | ||
| 147 | H | 80.4 | Confident | 88 | Confident | 90 Ų | 90 | 54.2 Ų | 54.2 | 42% | 0.417 | 30% | 0.298 | S | S | . | . | trans | -92.1 | 131.1 | 163 | -60.7 | 85.5 | 0 | 0 | 0 | 108.5 | P144 Y171 L240 | P144-H147 PolarHBondContact O-CE1 3.21Å; H147-Y171 AromaticContact CD2-CD2 3.69Å; H147-Y171 AromaticContact CD2-CE2 3.48Å; H147-Y171 VanDerWaalsContact CD2-CE2 3.48Å; H147-Y171 WeakPolarHBondContact CD2-CE2 3.31Å; H147-Y171 AromaticContact NE2-CE2 3.73Å; H147-Y171 AromaticContact NE2-CZ 3.8Å; H147-L240 HydrophobicContact CB-CD1 3.94Å | ||
| 148 | K | 87.9 | Confident | 88.2 | Confident | 84 Ų | 84 | 51.1 Ų | 51.1 | 37% | 0.365 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 124.1 | -177.2 | -60.8 | -173.9 | -176.7 | -177 | 0 | 108.2 | E146 Y241 | E146-K148 WeakPolarHBondContact OE2-CE 3.44Å; E146-K148 IonicContact OE2-NZ 2.72Å; E146-K148 PolarHBondContact OE2-NZ 3.19Å; K148-Y241 HydrophobicContact CB-CD1 4.26Å; K148-Y241 HydrophobicContact CB-CE1 3.88Å; K148-Y241 HydrophobicContact CB-CE2 4.28Å; K148-Y241 PolarHBondContact N-O 3.18Å; K148-Y241 WeakPolarHBondContact O-CD1 3.39Å; K148-Y241 PolarHBondContact O-N 3.29Å |
| 149 | T | 91.9 | Very high | 88.4 | Confident | 93 Ų | 93 | 54.1 Ų | 54.1 | 57% | 0.571 | 30% | 0.299 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 127.6 | 171.5 | -53.8 | 0 | 0 | 0 | 0 | 107.9 | V239 L240 | T149-V239 WeakPolarHBondContact CA-O 3.34Å; T149-L240 WeakPolarHBondContact OG1-CD1 3.49Å |
| 150 | Q | 94.2 | Very high | 88.5 | Confident | 61 Ų | 61 | 52.1 Ų | 52.1 | 29% | 0.285 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 136.8 | 171.6 | -174.7 | 171.8 | -8.9 | 0 | 0 | 109.2 | M158 I159 L160 V239 Y241 | Q150-M158 HydrophobicContact CG-CE 4.47Å; Q150-M158 VanDerWaalsContact O-CE 3.32Å; Q150-M158 WeakPolarHBondContact O-CE 3.12Å; Q150-I159 PolarHBondContact NE2-O 2.98Å; Q150-L160 HydrophobicContact CB-CD2 4.35Å; Q150-L160 VanDerWaalsContact OE1-CD2 3.3Å; Q150-V239 PolarHBondContact N-O 3.43Å; Q150-V239 PolarHBondContact O-N 3.14Å; Q150-Y241 HydrophobicContact CB-CE1 3.91Å; Q150-Y241 PolarHBondContact OE1-OH 2.76Å |
| 151 | V | 95.2 | Very high | 88.7 | Confident | 61 Ų | 61 | 58.9 Ų | 58.9 | 37% | 0.37 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 144.8 | 179 | -179.3 | 0 | 0 | 0 | 0 | 108.6 | T184 Y236 L237 | V151-T184 HydrophobicContact CG1-CG2 3.76Å; V151-Y236 HydrophobicContact CG1-CD2 3.79Å; V151-Y236 HydrophobicContact CG1-CG 4.04Å; V151-L237 VanDerWaalsContact CA-O 3.29Å; V151-L237 WeakPolarHBondContact CA-O 3.07Å |
| 152 | A | 95.6 | Very high | 88.9 | Confident | 7 Ų | 7 | 55.9 Ų | 55.9 | 6% | 0.058 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 146.2 | 170 | 0 | 0 | 0 | 0 | 0 | 109.7 | E156 M158 V220 Y236 L237 | A152-E156 WeakPolarHBondContact CA-OE2 3.43Å; A152-E156 HydrophobicContact CB-CB 4.43Å; A152-M158 HydrophobicContact CB-CB 3.85Å; A152-M158 HydrophobicContact CB-CE 3.74Å; A152-M158 HydrophobicContact CB-CG 4.26Å; A152-V220 HydrophobicContact CB-CG2 4.02Å; A152-Y236 CarbonylContact O-C 3.54Å; A152-Y236 VanDerWaalsContact O-CA 3.3Å; A152-Y236 WeakPolarHBondContact O-CA 3.4Å; A152-Y236 WeakPolarHBondContact O-CB 3.29Å; A152-L237 PolarHBondContact N-O 2.95Å; A152-L237 PolarHBondContact O-N 3.45Å |
| 153 | C | 94.1 | Very high | 89.1 | Confident | 18 Ų | 18 | 64.5 Ų | 64.5 | 12% | 0.122 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 157.9 | -170.9 | -51.6 | 0 | 0 | 0 | 0 | 113 | G155 E156 C185 V220 | C153-G155 PolarHBondContact O-N 3.26Å; C153-E156 HydrophobicContact CB-CG 4.14Å; C153-E156 PolarHBondContact N-OE2 3.2Å; C153-E156 VanDerWaalsContact O-CB 3.31Å; C153-E156 WeakPolarHBondContact O-CB 3.44Å; C153-E156 PolarHBondContact O-N 2.95Å; C153-C185 WeakPolarHBondContact CA-SG 3.47Å; C153-C185 HydrophobicContact CB-CB 3.72Å; C153-C185 WeakPolarHBondContact CB-SG 3.43Å; C153-C185 VanDerWaalsContact SG-CA 3.56Å; C153-C185 WeakPolarHBondContact SG-CB 3.17Å; C153-C185 CovalentContact SG-SG 2.03Å; C153-C185 PolarHBondContact SG-SG 3.1Å; C153-V220 WeakPolarHBondContact O-CB 3.32Å; C153-V220 WeakPolarHBondContact O-CG1 3.48Å |
| 154 | E | 93.6 | Very high | 89.4 | Confident | 44 Ų | 44 | 66.4 Ų | 66.4 | 21% | 0.206 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | 122.6 | 168.3 | -176.5 | 172.1 | -164.7 | 0 | 0 | 111.1 | N222 K235 | E154-N222 PolarHBondContact OE1-ND2 3.25Å; E154-N222 PolarHBondContact OE1-OD1 2.88Å; E154-K235 HydrophobicContact CB-CB 4.39Å; E154-K235 VanDerWaalsContact CB-O 3.28Å; E154-K235 WeakPolarHBondContact CB-O 3.33Å; E154-K235 PolarHBondContact N-O 3.39Å; E154-K235 WeakPolarHBondContact OE1-CE 3.24Å; E154-K235 IonicContact OE1-NZ 3.68Å; E154-K235 PolarHBondContact OE1-NZ 2.94Å; E154-K235 WeakPolarHBondContact OE2-CE 3.33Å; E154-K235 PolarHBondContact OE2-N 3.36Å; E154-K235 IonicContact OE2-NZ 2.96Å; E154-K235 PolarHBondContact OE2-NZ 3.44Å |
| 155 | G | 92.1 | Very high | 89.7 | Confident | 73 Ų | 73 | 69 Ų | 69 | 75% | 0.753 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 102.5 | -16.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115 | C153 V220 | C153-G155 PolarHBondContact O-N 3.26Å; G155-V220 PolarHBondContact N-O 2.8Å |
| 156 | E | 95.3 | Very high | 90.5 | Very high | 89 Ų | 89 | 67.9 Ų | 67.9 | 42% | 0.416 | 36% | 0.364 | S | S | . | . | trans | -90.1 | 170.1 | -177.5 | -61.7 | 176.9 | 176.1 | 0 | 0 | 113 | A152 C153 V220 | A152-E156 WeakPolarHBondContact CA-OE2 3.43Å; A152-E156 HydrophobicContact CB-CB 4.43Å; C153-E156 HydrophobicContact CB-CG 4.14Å; C153-E156 PolarHBondContact N-OE2 3.2Å; C153-E156 VanDerWaalsContact O-CB 3.31Å; C153-E156 WeakPolarHBondContact O-CB 3.44Å; C153-E156 PolarHBondContact O-N 2.95Å; E156-V220 WeakPolarHBondContact O-CB 3.24Å; E156-V220 PolarHBondContact O-N 3.3Å | ||
| 157 | T | 96.3 | Very high | 91.3 | Very high | 83 Ų | 83 | 64.2 Ų | 64.2 | 51% | 0.509 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 111 | 166.7 | -63.8 | 0 | 0 | 0 | 0 | 109.4 | I159 A217 V218 | T157-I159 HydrophobicContact CG2-CG1 4.28Å; T157-I159 PolarHBondContact O-N 3.31Å; T157-A217 HydrophobicContact CG2-CB 4Å; T157-V218 CarbonylContact C-O 3.59Å; T157-V218 WeakPolarHBondContact CA-O 3.28Å |
| 158 | M | 96.4 | Very high | 91.7 | Very high | 4 Ų | 4 | 60 Ų | 60 | 2% | 0.02 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 129.6 | 173.3 | -174.9 | 178.5 | -76.7 | 0 | 0 | 109.5 | Q150 A152 L160 A217 V218 V220 L237 V239 | Q150-M158 HydrophobicContact CG-CE 4.47Å; Q150-M158 VanDerWaalsContact O-CE 3.32Å; Q150-M158 WeakPolarHBondContact O-CE 3.12Å; A152-M158 HydrophobicContact CB-CB 3.85Å; A152-M158 HydrophobicContact CB-CE 3.74Å; A152-M158 HydrophobicContact CB-CG 4.26Å; M158-L160 HydrophobicContact CG-CD2 3.95Å; M158-L160 HydrophobicContact CG-CG 4.44Å; M158-L160 HydrophobicContact SD-CD2 3.74Å; M158-L160 HydrophobicContact SD-CG 4.38Å; M158-A217 CarbonylContact O-C 3.6Å; M158-A217 VanDerWaalsContact O-CA 3.3Å; M158-A217 WeakPolarHBondContact O-CA 3.38Å; M158-V218 PolarHBondContact N-O 3.07Å; M158-V218 PolarHBondContact O-N 3.2Å; M158-V220 HydrophobicContact CB-CG2 4.17Å; M158-L237 HydrophobicContact CE-CB 4.2Å; M158-L237 HydrophobicContact CE-CD2 3.99Å; M158-L237 HydrophobicContact CE-CG 4.08Å; M158-L237 WeakPolarHBondContact CE-O 3.44Å; M158-L237 HydrophobicContact SD-CD2 3.98Å; M158-V239 HydrophobicContact CE-CB 4.49Å; M158-V239 HydrophobicContact CE-CG2 3.92Å; M158-V239 HydrophobicContact SD-CB 3.98Å; M158-V239 HydrophobicContact SD-CG2 3.41Å; M158-V239 WeakPolarHBondContact SD-CG2 3.47Å |
| 159 | I | 96.9 | Very high | 91.6 | Very high | 63 Ų | 63 | 56.8 Ų | 56.8 | 32% | 0.323 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 110.2 | 177 | -52.9 | 178.9 | 0 | 0 | 0 | 109.6 | Q150 T157 R161 C216 A217 | Q150-I159 PolarHBondContact NE2-O 2.98Å; T157-I159 HydrophobicContact CG2-CG1 4.28Å; T157-I159 PolarHBondContact O-N 3.31Å; I159-R161 HydrophobicContact CG2-CG 4.03Å; I159-C216 WeakPolarHBondContact CA-O 3.47Å; I159-C216 WeakPolarHBondContact CG2-O 3.35Å; I159-A217 HydrophobicContact CG1-CB 4.39Å |
| 160 | L | 95.9 | Very high | 91.4 | Very high | 1 Ų | 1 | 52.9 Ų | 52.9 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 137.7 | 175.4 | -53.2 | -178.2 | 0 | 0 | 0 | 109.6 | Q150 M158 L168 I170 V206 C210 K215 C216 V239 Y241 | Q150-L160 HydrophobicContact CB-CD2 4.35Å; Q150-L160 VanDerWaalsContact OE1-CD2 3.3Å; M158-L160 HydrophobicContact CG-CD2 3.95Å; M158-L160 HydrophobicContact CG-CG 4.44Å; M158-L160 HydrophobicContact SD-CD2 3.74Å; M158-L160 HydrophobicContact SD-CG 4.38Å; L160-L168 HydrophobicContact CB-CD1 3.63Å; L160-L168 HydrophobicContact CB-CD2 3.79Å; L160-L168 HydrophobicContact CB-CG 4.39Å; L160-L168 HydrophobicContact CD1-CD1 4.45Å; L160-I170 HydrophobicContact CD1-CD1 3.77Å; L160-V206 HydrophobicContact CD1-CG1 4.47Å; L160-C210 HydrophobicContact CD1-CB 4.38Å; L160-K215 WeakPolarHBondContact O-CA 3.37Å; L160-C216 HydrophobicContact CB-CB 4.31Å; L160-C216 PolarHBondContact N-O 3.1Å; L160-C216 PolarHBondContact O-N 3.08Å; L160-V239 HydrophobicContact CD1-CG1 4.18Å; L160-Y241 HydrophobicContact CD2-CD1 4.07Å; L160-Y241 HydrophobicContact CD2-CE1 3.73Å |
| 161 | R | 94.8 | Very high | 90.9 | Very high | 153 Ų | 153 | 54.3 Ų | 54.3 | 58% | 0.577 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 140.3 | -178.7 | -56.3 | -169.5 | -171.7 | -154.3 | 8.4 | 113.2 | I159 Q214 K215 | I159-R161 HydrophobicContact CG2-CG 4.03Å; R161-Q214 CarbonylContact C-O 3.44Å; R161-Q214 WeakPolarHBondContact CA-O 3.09Å; R161-K215 HydrophobicContact CG-CG 4.3Å |
| 162 | C | 91.3 | Very high | 90.6 | Very high | 11 Ų | 11 | 53.2 Ų | 53.2 | 7% | 0.074 | 29% | 0.291 | C | S | . | . | trans | -118.4 | 149.5 | 168.1 | -61.6 | 0 | 0 | 0 | 0 | 111.1 | N166 L168 Q214 C243 | C162-N166 HydrophobicContact CB-CB 4.1Å; C162-N166 VanDerWaalsContact CB-O 3.22Å; C162-N166 WeakPolarHBondContact CB-O 3.08Å; C162-L168 WeakPolarHBondContact SG-CD2 3.41Å; C162-Q214 HydrophobicContact CB-CG 4.43Å; C162-Q214 PolarHBondContact N-O 3.19Å; C162-Q214 WeakPolarHBondContact O-CG 3.02Å; C162-Q214 PolarHBondContact O-NE2 2.97Å; C162-C243 WeakPolarHBondContact CA-SG 3.46Å; C162-C243 HydrophobicContact CB-CB 3.79Å; C162-C243 WeakPolarHBondContact CB-SG 3.45Å; C162-C243 VanDerWaalsContact SG-CA 3.5Å; C162-C243 WeakPolarHBondContact SG-CB 3.38Å; C162-C243 CovalentContact SG-SG 2.04Å; C162-C243 PolarHBondContact SG-SG 2.93Å | ||
| 163 | K | 89.3 | Confident | 90.5 | Very high | 184 Ų | 184 | 53 Ų | 53 | 80% | 0.8 | 29% | 0.289 | S | S | * | . | trans | -76.6 | 144 | 169.4 | -64.8 | -175.3 | 179 | -176.6 | 0 | 109.5 | N166 | K163-N166 WeakPolarHBondContact O-CA 3.33Å; K163-N166 VanDerWaalsContact O-CB 3.3Å; K163-N166 WeakPolarHBondContact O-CB 3.32Å; K163-N166 PolarHBondContact O-N 2.97Å | ||
| 164 | T | 83.4 | Confident | 90.5 | Very high | 110 Ų | 110 | 53.6 Ų | 53.6 | 68% | 0.675 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 138.6 | 175.9 | -43.2 | 0 | 0 | 0 | 0 | 109.6 | Q214 | T164-Q214 PolarHBondContact OG1-NE2 2.9Š|
| 165 | P | 80.1 | Confident | 90.6 | Very high | 84 Ų | 84 | 51.5 Ų | 51.5 | 55% | 0.545 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -94.2 | 22.7 | 3.9 | 39.9 | -36.9 | 0 | 0 | 0 | 114.2 | K246 | P165-K246 WeakPolarHBondContact O-CB 3.12Å; P165-K246 PolarHBondContact O-N 2.93Å |
| 166 | N | 84 | Confident | 90.6 | Very high | 30 Ų | 30 | 48 Ų | 48 | 16% | 0.16 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 149.5 | -172.6 | -58.3 | -9.6 | 0 | 0 | 0 | 112.5 | C162 K163 C243 V244 P245 | C162-N166 HydrophobicContact CB-CB 4.1Å; C162-N166 VanDerWaalsContact CB-O 3.22Å; C162-N166 WeakPolarHBondContact CB-O 3.08Å; K163-N166 WeakPolarHBondContact O-CA 3.33Å; K163-N166 VanDerWaalsContact O-CB 3.3Å; K163-N166 WeakPolarHBondContact O-CB 3.32Å; K163-N166 PolarHBondContact O-N 2.97Å; N166-C243 HydrophobicContact CB-CB 4.12Å; N166-V244 CarbonylContact C-O 3.57Å; N166-V244 VanDerWaalsContact CA-O 3.25Å; N166-V244 WeakPolarHBondContact CA-O 3.29Å; N166-P245 WeakPolarHBondContact OD1-CA 3.39Å; N166-P245 WeakPolarHBondContact OD1-CD 3.41Å; N166-P245 WeakPolarHBondContact OD1-CG 3.07Å |
| 167 | V | 88.1 | Confident | 90.3 | Very high | 6 Ų | 6 | 44.2 Ų | 44.2 | 4% | 0.036 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 158.8 | -179.9 | -70.1 | 0 | 0 | 0 | 0 | 111 | S212 Q214 C243 V244 K246 L249 | V167-S212 WeakPolarHBondContact CG1-O 3.37Å; V167-Q214 HydrophobicContact CG1-CB 4.49Å; V167-C243 WeakPolarHBondContact O-CA 3.35Å; V167-V244 WeakPolarHBondContact CG2-O 3.45Å; V167-V244 PolarHBondContact N-O 3.14Å; V167-V244 PolarHBondContact O-N 2.94Å; V167-K246 HydrophobicContact CG1-CB 4.04Å; V167-K246 HydrophobicContact CG1-CD 4.2Å; V167-K246 HydrophobicContact CG1-CG 4.12Å; V167-K246 HydrophobicContact CG2-CB 4.16Å; V167-K246 HydrophobicContact CG2-CG 4.41Å; V167-L249 HydrophobicContact CG2-CD1 3.55Å; V167-L249 HydrophobicContact CG2-CG 4.18Å |
| 168 | L | 89.7 | Confident | 89.8 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 130.7 | -175 | -67.2 | 162.8 | 0 | 0 | 0 | 112 | L160 C162 C210 S212 K213 C216 Y241 | L160-L168 HydrophobicContact CB-CD1 3.63Å; L160-L168 HydrophobicContact CB-CD2 3.79Å; L160-L168 HydrophobicContact CB-CG 4.39Å; L160-L168 HydrophobicContact CD1-CD1 4.45Å; C162-L168 WeakPolarHBondContact SG-CD2 3.41Å; L168-C210 HydrophobicContact CD1-CB 4.32Å; L168-S212 PolarHBondContact O-N 3.35Å; L168-K213 WeakPolarHBondContact CB-O 3.28Å; L168-K213 WeakPolarHBondContact CD1-O 3.49Å; L168-K213 VanDerWaalsContact CG-O 3.29Å; L168-K213 WeakPolarHBondContact CG-O 3.33Å; L168-K213 PolarHBondContact N-O 3.44Å; L168-C216 HydrophobicContact CD1-CB 3.7Å; L168-Y241 HydrophobicContact CD2-CD2 3.47Å; L168-Y241 VanDerWaalsContact CD2-CD2 3.47Å; L168-Y241 HydrophobicContact CD2-CE2 3.65Å; L168-Y241 HydrophobicContact CD2-CG 4.41Å |
| 169 | I | 85.7 | Confident | 89.1 | Confident | 17 Ų | 17 | 46.2 Ų | 46.2 | 9% | 0.087 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 127.9 | 163 | -70.2 | -63.5 | 0 | 0 | 0 | 108.5 | Y171 Y211 Y241 S242 V244 L249 | I169-Y171 HydrophobicContact CG2-CD1 4.44Å; I169-Y171 HydrophobicContact CG2-CD2 4.47Å; I169-Y171 HydrophobicContact CG2-CE1 3.89Å; I169-Y171 HydrophobicContact CG2-CE2 3.93Å; I169-Y211 HydrophobicContact CD1-CD2 3.86Å; I169-Y211 HydrophobicContact CD1-CE1 4.18Å; I169-Y211 HydrophobicContact CD1-CE2 3.25Å; I169-Y211 VanDerWaalsContact CD1-CZ 3.42Å; I169-Y241 CarbonylContact O-C 3.57Å; I169-Y241 WeakPolarHBondContact O-CA 3.39Å; I169-Y241 WeakPolarHBondContact O-CB 3.24Å; I169-S242 PolarHBondContact N-O 3.15Å; I169-S242 PolarHBondContact O-N 2.96Å; I169-V244 HydrophobicContact CG1-CG1 4.48Å; I169-V244 HydrophobicContact CG1-CG2 3.66Å; I169-L249 HydrophobicContact CD1-CD1 3.64Å; I169-L249 HydrophobicContact CD1-CD2 3.69Å; I169-L249 HydrophobicContact CD1-CG 4.33Å; I169-L249 HydrophobicContact CG1-CD1 4.29Å; I169-L249 HydrophobicContact CG1-CD2 4.11Å |
| 170 | I | 86.8 | Confident | 87.7 | Confident | 12 Ų | 12 | 46.5 Ų | 46.5 | 6% | 0.062 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 125 | -179.3 | -47.8 | -58.6 | 0 | 0 | 0 | 107.9 | L160 V203 V206 C210 V239 | L160-I170 HydrophobicContact CD1-CD1 3.77Å; I170-V203 HydrophobicContact CG2-CG2 4.36Å; I170-V206 HydrophobicContact CD1-CG1 4.05Å; I170-V206 HydrophobicContact CG1-CG1 4.1Å; I170-V206 HydrophobicContact CG2-CB 4.37Å; I170-V206 HydrophobicContact CG2-CG1 3.95Å; I170-C210 HydrophobicContact CD1-CB 4.04Å; I170-C210 HydrophobicContact CG1-CB 4.19Å; I170-V239 HydrophobicContact CD1-CG1 4.21Å; I170-V239 HydrophobicContact CG2-CG1 4.09Å |
| 171 | Y | 84.8 | Confident | 86.4 | Confident | 90 Ų | 90 | 50.7 Ų | 50.7 | 35% | 0.353 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | -42 | 177.8 | -61.5 | -80.3 | 0 | 0 | 0 | 112 | P144 H147 I169 L240 S242 | P144-Y171 WeakPolarHBondContact CG-OH 3.46Å; H147-Y171 AromaticContact CD2-CD2 3.69Å; H147-Y171 AromaticContact CD2-CE2 3.48Å; H147-Y171 VanDerWaalsContact CD2-CE2 3.48Å; H147-Y171 WeakPolarHBondContact CD2-CE2 3.31Å; H147-Y171 AromaticContact NE2-CE2 3.73Å; H147-Y171 AromaticContact NE2-CZ 3.8Å; I169-Y171 HydrophobicContact CG2-CD1 4.44Å; I169-Y171 HydrophobicContact CG2-CD2 4.47Å; I169-Y171 HydrophobicContact CG2-CE1 3.89Å; I169-Y171 HydrophobicContact CG2-CE2 3.93Å; Y171-L240 PolarHBondContact N-O 3.23Å; Y171-S242 WeakPolarHBondContact CE2-OG 3.47Å; Y171-S242 PolarHBondContact OH-OG 2.99Å |
| 172 | A | 88.3 | Confident | 85 | Confident | 39 Ų | 39 | 47 Ų | 47 | 32% | 0.322 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 147.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | L240 | A172-L240 HydrophobicContact CB-CB 4.2Å; A172-L240 PolarHBondContact N-O 2.79Å; A172-L240 PolarHBondContact O-N 3.21Å |
| 173 | A | 93.6 | Very high | 84.2 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 2% | 0.017 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 141.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 109 | A202 V203 V206 L237 S238 V239 | A173-A202 HydrophobicContact CB-CB 4.39Å; A173-V203 HydrophobicContact CB-CB 4.44Å; A173-V203 PolarHBondContact O-N 3.06Å; A173-V206 HydrophobicContact CB-CB 3.97Å; A173-V206 HydrophobicContact CB-CG1 4.49Å; A173-V206 HydrophobicContact CB-CG2 3.67Å; A173-L237 HydrophobicContact CB-CD1 4.3Å; A173-S238 CarbonylContact C-O 3.56Å; A173-S238 VanDerWaalsContact CA-O 3.22Å; A173-S238 WeakPolarHBondContact CA-O 3.22Å; A173-V239 HydrophobicContact CB-CB 4.46Å; A173-V239 HydrophobicContact CB-CG1 4.45Å; A173-V239 HydrophobicContact CB-CG2 3.87Å |
| 174 | V | 94.8 | Very high | 83.9 | Confident | 30 Ų | 30 | 46.3 Ų | 46.3 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 126.8 | -179.2 | -170.6 | 0 | 0 | 0 | 0 | 108.1 | L198 L237 S238 | V174-L198 HydrophobicContact CG1-CB 3.77Å; V174-L198 HydrophobicContact CG1-CD2 3.87Å; V174-L198 HydrophobicContact CG1-CG 4.26Å; V174-L237 WeakPolarHBondContact O-CA 3.48Å; V174-S238 PolarHBondContact N-O 3.18Å; V174-S238 PolarHBondContact O-N 3.46Å |
| 175 | Y | 95.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 128.3 | 174.2 | -178.5 | -115.5 | 0 | 0 | 0 | 109.9 | N199 V220 N222 F225 R226 K235 Y236 L237 | Y175-N199 PolarHBondContact N-O 3.13Å; Y175-N199 VanDerWaalsContact N-O 3.13Å; Y175-N199 WeakPolarHBondContact O-CB 3.28Å; Y175-N199 PolarHBondContact O-N 2.73Å; Y175-V220 HydrophobicContact CD2-CG1 4.09Å; Y175-V220 HydrophobicContact CE2-CG1 3.58Å; Y175-N222 WeakPolarHBondContact CE1-OD1 3.49Å; Y175-N222 PolarHBondContact OH-OD1 2.99Å; Y175-F225 HydrophobicContact CD1-CB 3.36Å; Y175-F225 HydrophobicContact CD1-CD2 4.48Å; Y175-F225 HydrophobicContact CD1-CG 4.17Å; Y175-F225 HydrophobicContact CD2-CB 4.45Å; Y175-F225 HydrophobicContact CD2-CD2 4.14Å; Y175-F225 HydrophobicContact CD2-CG 4.43Å; Y175-F225 HydrophobicContact CE1-CB 3.94Å; Y175-F225 HydrophobicContact CG-CB 3.64Å; Y175-F225 HydrophobicContact CG-CD2 4.11Å; Y175-F225 AromaticContact CG-CG 3.94Å; Y175-F225 HydrophobicContact CG-CG 3.94Å; Y175-R226 WeakPolarHBondContact CD1-O 3.39Å; Y175-K235 HydrophobicContact CE1-CB 4.5Å; Y175-K235 HydrophobicContact CE1-CD 3.91Å; Y175-K235 HydrophobicContact CE2-CB 3.94Å; Y175-K235 WeakPolarHBondContact OH-CE 3.28Å; Y175-Y236 WeakPolarHBondContact CA-O 3.44Å; Y175-Y236 WeakPolarHBondContact CD2-O 3.39Å; Y175-L237 HydrophobicContact CD2-CB 4.15Å |
| 176 | G | 92.3 | Very high | 84.1 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 152.6 | -147.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | C197 K235 Y236 | G176-C197 CarbonylContact C-O 3.57Å; G176-C197 WeakPolarHBondContact CA-O 3.03Å; G176-K235 CarbonylContact O-C 3.58Å; G176-K235 VanDerWaalsContact O-CA 3.28Å; G176-K235 WeakPolarHBondContact O-CA 3.23Å; G176-K235 WeakPolarHBondContact O-CB 3.47Å; G176-Y236 PolarHBondContact N-O 3.17Å; G176-Y236 PolarHBondContact O-N 2.88Å |
| 177 | R | 89.4 | Confident | 83.5 | Confident | 8 Ų | 8 | 42 Ų | 42 | 3% | 0.03 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 128.5 | 169.8 | -173.1 | 160 | -152.2 | 104.9 | 9.8 | 110.9 | Q181 T182 T184 C185 E196 C197 T233 R234 Y236 | R177-Q181 PolarHBondContact NH2-O 2.98Å; R177-T182 PolarHBondContact NH2-O 3.27Å; R177-T184 PolarHBondContact NH1-O 3.33Å; R177-T184 PolarHBondContact NH2-O 3.02Å; R177-C185 PolarHBondContact NH1-O 2.97Å; R177-E196 WeakPolarHBondContact O-CA 3.31Å; R177-C197 PolarHBondContact N-O 3.02Å; R177-C197 PolarHBondContact O-N 2.76Å; R177-T233 HydrophobicContact CB-CG2 4.1Å; R177-R234 PolarHBondContact NH1-O 2.95Å; R177-Y236 HydrophobicContact CB-CE1 4.25Å; R177-Y236 HydrophobicContact CG-CE1 3.95Å |
| 178 | G | 85.6 | Confident | 82.5 | Confident | 15 Ų | 15 | 50.4 Ų | 50.4 | 16% | 0.155 | 30% | 0.298 | C | S | . | . | trans | -89.1 | 160.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y236 | G178-Y236 PolarHBondContact N-OH 3.39Š| ||
| 179 | L | 80.5 | Confident | 81.2 | Confident | 114 Ų | 114 | 54.4 Ų | 54.4 | 60% | 0.597 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | 143.3 | 175.7 | -158.6 | 82.4 | 0 | 0 | 0 | 111.1 | Q181 | L179-Q181 PolarHBondContact O-N 3Š|
| 180 | G | 67.8 | Low | 79.8 | Confident | 69 Ų | 69 | 59 Ų | 59 | 71% | 0.711 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | -9.5 | 171.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | T182 | G180-T182 PolarHBondContact O-N 3.07Š|
| 181 | Q | 69.6 | Low | 78.7 | Confident | 90 Ų | 90 | 69.1 Ų | 69.1 | 42% | 0.421 | 40% | 0.403 | S | S | . | . | trans | -83.3 | 81 | 177.7 | -64.6 | -169.4 | -2.4 | 0 | 0 | 110.6 | R177 L179 Y236 | R177-Q181 PolarHBondContact NH2-O 2.98Å; L179-Q181 PolarHBondContact O-N 3Å; Q181-Y236 PolarHBondContact OE1-OH 3.46Å | ||
| 182 | T | 64.3 | Low | 77.6 | Confident | 76 Ų | 76 | 67.2 Ų | 67.2 | 47% | 0.466 | 40% | 0.404 | S | S | . | . | trans | -69.7 | -48.1 | 175.8 | 45.2 | 0 | 0 | 0 | 0 | 112 | R177 G180 | R177-T182 PolarHBondContact NH2-O 3.27Å; G180-T182 PolarHBondContact O-N 3.07Å | ||
| 183 | D | 74.9 | Confident | 76.6 | Confident | 139 Ų | 139 | 66.7 Ų | 66.7 | 74% | 0.743 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -83.5 | -21.1 | -164.4 | -47.4 | -16.4 | 0 | 0 | 0 | 111.9 | C185 | D183-C185 PolarHBondContact O-N 3.18Š|
| 184 | T | 83.5 | Confident | 75.5 | Confident | 41 Ų | 41 | 72 Ų | 72 | 25% | 0.252 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -69.3 | 109.4 | 171.7 | -54 | 0 | 0 | 0 | 0 | 109.7 | V151 R177 Y236 | V151-T184 HydrophobicContact CG1-CG2 3.76Å; R177-T184 PolarHBondContact NH1-O 3.33Å; R177-T184 PolarHBondContact NH2-O 3.02Å; T184-Y236 HydrophobicContact CG2-CD1 3.79Å; T184-Y236 HydrophobicContact CG2-CD2 3.9Å; T184-Y236 HydrophobicContact CG2-CE1 3.8Å; T184-Y236 HydrophobicContact CG2-CE2 3.89Å; T184-Y236 HydrophobicContact CG2-CG 3.85Å |
| 185 | C | 86.1 | Confident | 74.7 | Confident | 11 Ų | 11 | 74.5 Ų | 74.5 | 7% | 0.074 | 44% | 0.439 | C | S | . | . | S | Bend | trans | 51.4 | 69 | 177 | -61.6 | 0 | 0 | 0 | 0 | 112.7 | C153 R177 D183 Y236 | C153-C185 WeakPolarHBondContact CA-SG 3.47Å; C153-C185 HydrophobicContact CB-CB 3.72Å; C153-C185 WeakPolarHBondContact CB-SG 3.43Å; C153-C185 VanDerWaalsContact SG-CA 3.56Å; C153-C185 WeakPolarHBondContact SG-CB 3.17Å; C153-C185 CovalentContact SG-SG 2.03Å; C153-C185 PolarHBondContact SG-SG 3.1Å; R177-C185 PolarHBondContact NH1-O 2.97Å; D183-C185 PolarHBondContact O-N 3.18Å; C185-Y236 HydrophobicContact CB-CD1 4.13Å |
| 186 | P | 81.2 | Confident | 74.4 | Confident | 78 Ų | 78 | 80.4 Ų | 80.4 | 51% | 0.506 | 47% | 0.467 | S | S | . | . | trans | -61.9 | 145.2 | -173.9 | 24.9 | -34 | 0 | 0 | 0 | 112.1 | R234 | P186-R234 VanDerWaalsContact O-CD 3.25Å; P186-R234 WeakPolarHBondContact O-CD 3.49Å; P186-R234 PolarHBondContact O-NH1 3.41Å | ||
| 187 | S | 71.8 | Confident | 74.3 | Confident | 45 Ų | 45 | 80.9 Ų | 80.9 | 32% | 0.315 | 47% | 0.47 | S | S | . | . | trans | -93.1 | 152 | 171.6 | -169 | 0 | 0 | 0 | 0 | 110.2 | S189 | S187-S189 PolarHBondContact O-N 2.81Å; S187-S189 PolarHBondContact OG-N 3.16Å | ||
| 188 | L | 66.3 | Low | 74.4 | Confident | 182 Ų | 182 | 83.2 Ų | 83.2 | 95% | 0.953 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -68.2 | -22.3 | 170.9 | -66.1 | 170.2 | 0 | 0 | 0 | 111.7 | A190 | L188-A190 PolarHBondContact O-N 3.12Š|
| 189 | S | 62.2 | Low | 74.8 | Confident | 83 Ų | 83 | 83.8 Ų | 83.8 | 58% | 0.58 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -81 | 110.1 | 168 | -64.1 | 0 | 0 | 0 | 0 | 110 | S187 R191 | S187-S189 PolarHBondContact O-N 2.81Å; S187-S189 PolarHBondContact OG-N 3.16Å; S189-R191 PolarHBondContact O-N 2.93Å |
| 190 | A | 55.8 | Low | 75.3 | Confident | 113 Ų | 113 | 83.9 Ų | 83.9 | 93% | 0.934 | 48% | 0.48 | S | S | * | . | S | Bend | trans | -64.6 | 2.6 | -175.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | L188 | L188-A190 PolarHBondContact O-N 3.12Š|
| 191 | R | 64.1 | Low | 76.3 | Confident | 225 Ų | 225 | 85.4 Ų | 85.4 | 85% | 0.849 | 47% | 0.471 | S | S | * | . | trans | -109.4 | 103.6 | 178.5 | -161.8 | 178.2 | -163.2 | -164 | 4.8 | 110.2 | S189 | S189-R191 PolarHBondContact O-N 2.93Š| ||
| 192 | S | 63.3 | Low | 77.5 | Confident | 51 Ų | 51 | 81.1 Ų | 81.1 | 36% | 0.357 | 45% | 0.451 | S | S | . | . | trans | -62.4 | 143.8 | 166.7 | -70.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 193 | P | 65.9 | Low | 78.7 | Confident | 28 Ų | 28 | 79.4 Ų | 79.4 | 18% | 0.182 | 44% | 0.441 | C | S | . | . | trans | -63.3 | 144.4 | 176 | 26.1 | -33.4 | 0 | 0 | 0 | 110.9 | F195 T233 | P193-F195 HydrophobicContact CB-CD2 4.31Å; P193-F195 HydrophobicContact CB-CE1 4.24Å; P193-F195 HydrophobicContact CB-CE2 3.93Å; P193-F195 HydrophobicContact CB-CZ 3.89Å; P193-F195 PolarHBondContact O-N 2.97Å; P193-T233 HydrophobicContact CG-CG2 4.1Å | ||
| 194 | P | 71.7 | Confident | 79.4 | Confident | 113 Ų | 113 | 79 Ų | 79 | 73% | 0.734 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -80.4 | 10.2 | -178.6 | 34.7 | -36.9 | 0 | 0 | 0 | 113.6 | ||
| 195 | F | 78.1 | Confident | 79.9 | Confident | 82 Ų | 82 | 79.7 Ų | 79.7 | 36% | 0.36 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -136.5 | 153.6 | 179.9 | 51.8 | -100.7 | 0 | 0 | 0 | 108.9 | P193 F230 | P193-F195 HydrophobicContact CB-CD2 4.31Å; P193-F195 HydrophobicContact CB-CE1 4.24Å; P193-F195 HydrophobicContact CB-CE2 3.93Å; P193-F195 HydrophobicContact CB-CZ 3.89Å; P193-F195 PolarHBondContact O-N 2.97Å; F195-F230 HydrophobicContact CE1-CD2 4.44Å; F195-F230 AromaticContact CE2-CD2 3.63Å; F195-F230 HydrophobicContact CE2-CD2 3.63Å; F195-F230 HydrophobicContact CE2-CE2 4.02Å; F195-F230 AromaticContact CZ-CD2 3.42Å; F195-F230 HydrophobicContact CZ-CD2 3.42Å; F195-F230 VanDerWaalsContact CZ-CD2 3.42Å; F195-F230 AromaticContact CZ-CE2 3.83Å; F195-F230 HydrophobicContact CZ-CE2 3.83Å; F195-F230 HydrophobicContact CZ-CG 4.33Å |
| 196 | E | 87.6 | Confident | 80.3 | Confident | 125 Ų | 125 | 79.2 Ų | 79.2 | 58% | 0.584 | 44% | 0.435 | S | S | * | . | trans | -81.5 | 150.6 | 169 | 65.2 | -173.2 | 168.5 | 0 | 0 | 111.3 | R177 L198 | R177-E196 WeakPolarHBondContact O-CA 3.31Å; E196-L198 HydrophobicContact CB-CD1 4.39Å; E196-L198 HydrophobicContact CB-CG 4.29Å; E196-L198 HydrophobicContact CG-CD1 4.48Å; E196-L198 WeakPolarHBondContact OE2-CD1 3.08Å | ||
| 197 | C | 90.2 | Very high | 80.8 | Confident | 11 Ų | 11 | 76.9 Ų | 76.9 | 7% | 0.074 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 101.6 | 172.8 | 52.6 | 0 | 0 | 0 | 0 | 108.3 | G176 R177 C229 | G176-C197 CarbonylContact C-O 3.57Å; G176-C197 WeakPolarHBondContact CA-O 3.03Å; R177-C197 PolarHBondContact N-O 3.02Å; R177-C197 PolarHBondContact O-N 2.76Å; C197-C229 HydrophobicContact CB-CB 3.84Å; C197-C229 WeakPolarHBondContact CB-SG 3.4Å; C197-C229 PolarHBondContact O-SG 3.32Å; C197-C229 WeakPolarHBondContact SG-CB 3.39Å; C197-C229 CovalentContact SG-SG 2.03Å; C197-C229 PolarHBondContact SG-SG 2.99Å |
| 198 | L | 92.2 | Very high | 81.7 | Confident | 56 Ų | 56 | 83.1 Ų | 83.1 | 29% | 0.293 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 125.6 | -165.2 | -61.6 | 179.6 | 0 | 0 | 0 | 111.4 | V174 E196 | V174-L198 HydrophobicContact CG1-CB 3.77Å; V174-L198 HydrophobicContact CG1-CD2 3.87Å; V174-L198 HydrophobicContact CG1-CG 4.26Å; E196-L198 HydrophobicContact CB-CD1 4.39Å; E196-L198 HydrophobicContact CB-CG 4.29Å; E196-L198 HydrophobicContact CG-CD1 4.48Å; E196-L198 WeakPolarHBondContact OE2-CD1 3.08Å |
| 199 | N | 93.4 | Very high | 82.9 | Confident | 27 Ų | 27 | 76.4 Ų | 76.4 | 14% | 0.144 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 100.7 | 171.3 | -174.3 | 2.8 | 0 | 0 | 0 | 110.8 | Y175 N201 A202 F225 P228 | Y175-N199 PolarHBondContact N-O 3.13Å; Y175-N199 VanDerWaalsContact N-O 3.13Å; Y175-N199 WeakPolarHBondContact O-CB 3.28Å; Y175-N199 PolarHBondContact O-N 2.73Å; N199-N201 VanDerWaalsContact C-N 3.31Å; N199-N201 PolarHBondContact O-N 3.45Å; N199-N201 VanDerWaalsContact OD1-CB 3.3Å; N199-N201 WeakPolarHBondContact OD1-CB 3.44Å; N199-N201 PolarHBondContact OD1-N 3.44Å; N199-A202 WeakPolarHBondContact O-CB 3.35Å; N199-A202 PolarHBondContact O-N 3.45Å; N199-F225 PolarHBondContact ND2-O 3.22Å; N199-P228 HydrophobicContact CB-CB 4.1Å; N199-P228 HydrophobicContact CB-CG 3.96Å |
| 200 | H | 91.9 | Very high | 84.4 | Confident | 116 Ų | 116 | 72.4 Ų | 72.4 | 54% | 0.537 | 38% | 0.383 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -17.8 | 176.5 | -64.8 | -90.1 | 0 | 0 | 0 | 113.5 | A202 V203 | H200-A202 PolarHBondContact O-N 2.91Å; H200-A202 VanDerWaalsContact O-N 3.14Å; H200-V203 WeakPolarHBondContact O-CG1 3.38Å; H200-V203 PolarHBondContact O-N 3.4Å |
| 201 | N | 89.4 | Confident | 86 | Confident | 101 Ų | 101 | 71.3 Ų | 71.3 | 54% | 0.54 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -10.9 | 175.4 | -62.2 | -46.5 | 0 | 0 | 0 | 112.5 | N199 V203 Q204 | N199-N201 VanDerWaalsContact C-N 3.31Å; N199-N201 PolarHBondContact O-N 3.45Å; N199-N201 VanDerWaalsContact OD1-CB 3.3Å; N199-N201 WeakPolarHBondContact OD1-CB 3.44Å; N199-N201 PolarHBondContact OD1-N 3.44Å; N201-V203 PolarHBondContact O-N 2.04Å; N201-V203 VanDerWaalsContact O-N 3.13Å; N201-Q204 WeakPolarHBondContact O-CB 3.4Å; N201-Q204 PolarHBondContact O-N 2.78Å |
| 202 | A | 93.1 | Very high | 87.1 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -52.8 | -29.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A173 N199 H200 Q204 V205 V206 F225 L237 | A173-A202 HydrophobicContact CB-CB 4.39Å; N199-A202 WeakPolarHBondContact O-CB 3.35Å; N199-A202 PolarHBondContact O-N 3.45Å; H200-A202 PolarHBondContact O-N 2.91Å; H200-A202 VanDerWaalsContact O-N 3.14Å; A202-Q204 VanDerWaalsContact C-N 3.26Å; A202-Q204 PolarHBondContact O-N 2.83Å; A202-V205 PolarHBondContact O-N 2.72Å; A202-V206 WeakPolarHBondContact O-CG2 3.29Å; A202-V206 PolarHBondContact O-N 3.48Å; A202-F225 HydrophobicContact CB-CD1 3.57Å; A202-F225 HydrophobicContact CB-CE1 3.83Å; A202-F225 HydrophobicContact CB-CG 4.5Å; A202-L237 HydrophobicContact CB-CD1 4.09Å |
| 203 | V | 90.5 | Very high | 88.4 | Confident | 40 Ų | 40 | 64.7 Ų | 64.7 | 24% | 0.242 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56.1 | -37.9 | 173.6 | 74.7 | 0 | 0 | 0 | 0 | 112.8 | I170 A173 H200 N201 S207 | I170-V203 HydrophobicContact CG2-CG2 4.36Å; A173-V203 HydrophobicContact CB-CB 4.44Å; A173-V203 PolarHBondContact O-N 3.06Å; H200-V203 WeakPolarHBondContact O-CG1 3.38Å; H200-V203 PolarHBondContact O-N 3.4Å; N201-V203 PolarHBondContact O-N 2.04Å; N201-V203 VanDerWaalsContact O-N 3.13Å; V203-S207 WeakPolarHBondContact O-CB 3.46Å; V203-S207 PolarHBondContact O-N 2.89Å; V203-S207 PolarHBondContact O-OG 2.78Å |
| 204 | Q | 89.1 | Confident | 89.7 | Confident | 132 Ų | 132 | 67.2 Ų | 67.2 | 62% | 0.617 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -67.5 | -40.5 | -179.6 | -60.9 | -180 | -7.7 | 0 | 0 | 111.2 | N201 A202 K208 | N201-Q204 WeakPolarHBondContact O-CB 3.4Å; N201-Q204 PolarHBondContact O-N 2.78Å; A202-Q204 VanDerWaalsContact C-N 3.26Å; A202-Q204 PolarHBondContact O-N 2.83Å; Q204-K208 VanDerWaalsContact O-CB 3.24Å; Q204-K208 WeakPolarHBondContact O-CB 3.27Å; Q204-K208 PolarHBondContact O-N 2.03Å |
| 205 | V | 93.4 | Very high | 90.8 | Very high | 54 Ų | 54 | 67.9 Ų | 67.9 | 33% | 0.327 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.7 | -46.1 | 179 | -178.1 | 0 | 0 | 0 | 0 | 111 | A202 S209 T224 F225 | A202-V205 PolarHBondContact O-N 2.72Å; V205-S209 WeakPolarHBondContact O-CB 3.29Å; V205-S209 PolarHBondContact O-N 2.69Å; V205-T224 HydrophobicContact CG1-CG2 4.07Å; V205-F225 HydrophobicContact CB-CD1 4.15Å; V205-F225 HydrophobicContact CB-CE1 3.83Å; V205-F225 HydrophobicContact CG1-CD1 4.27Å; V205-F225 HydrophobicContact CG1-CE1 3.85Å; V205-F225 HydrophobicContact CG1-CZ 4.44Å; V205-F225 HydrophobicContact CG2-CD1 4.45Å |
| 206 | V | 94.7 | Very high | 91.7 | Very high | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.006 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.6 | -43.4 | 177.6 | -178.9 | 0 | 0 | 0 | 0 | 111 | L160 I170 A173 A202 S209 C210 F225 L237 V239 | L160-V206 HydrophobicContact CD1-CG1 4.47Å; I170-V206 HydrophobicContact CD1-CG1 4.05Å; I170-V206 HydrophobicContact CG1-CG1 4.1Å; I170-V206 HydrophobicContact CG2-CB 4.37Å; I170-V206 HydrophobicContact CG2-CG1 3.95Å; A173-V206 HydrophobicContact CB-CB 3.97Å; A173-V206 HydrophobicContact CB-CG1 4.49Å; A173-V206 HydrophobicContact CB-CG2 3.67Å; A202-V206 WeakPolarHBondContact O-CG2 3.29Å; A202-V206 PolarHBondContact O-N 3.48Å; V206-S209 PolarHBondContact O-N 3.01Å; V206-C210 HydrophobicContact CG1-CB 4.45Å; V206-C210 VanDerWaalsContact O-CB 3.23Å; V206-C210 WeakPolarHBondContact O-CB 3.35Å; V206-C210 PolarHBondContact O-N 3.17Å; V206-C210 PolarHBondContact O-SG 3.38Å; V206-F225 HydrophobicContact CG2-CE1 3.84Å; V206-F225 HydrophobicContact CG2-CZ 3.9Å; V206-L237 HydrophobicContact CG2-CD1 4.24Å; V206-L237 HydrophobicContact CG2-CD2 4.07Å; V206-V239 HydrophobicContact CG1-CG1 4.03Å; V206-V239 HydrophobicContact CG1-CG2 4.13Å; V206-V239 HydrophobicContact CG2-CG2 4.23Å |
| 207 | S | 91.5 | Very high | 92.1 | Very high | 29 Ų | 29 | 61 Ų | 61 | 20% | 0.203 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.6 | -50.2 | 175.1 | -69.9 | 0 | 0 | 0 | 0 | 111.7 | V203 S209 C210 Y211 | V203-S207 WeakPolarHBondContact O-CB 3.46Å; V203-S207 PolarHBondContact O-N 2.89Å; V203-S207 PolarHBondContact O-OG 2.78Å; S207-S209 PolarHBondContact O-N 3.01Å; S207-C210 PolarHBondContact O-N 3.01Å; S207-Y211 WeakPolarHBondContact O-CB 3.28Å; S207-Y211 PolarHBondContact O-N 2.9Å |
| 208 | K | 90.6 | Very high | 92.4 | Very high | 177 Ų | 177 | 60.9 Ų | 60.9 | 77% | 0.77 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -59.1 | -32.9 | 177 | -175 | 173.5 | -180 | 176.4 | 0 | 112.6 | Q204 | Q204-K208 VanDerWaalsContact O-CB 3.24Å; Q204-K208 WeakPolarHBondContact O-CB 3.27Å; Q204-K208 PolarHBondContact O-N 2.03Å |
| 209 | S | 92.9 | Very high | 92.6 | Very high | 40 Ų | 40 | 60.5 Ų | 60.5 | 28% | 0.28 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -80.5 | -37.2 | 177.6 | -164.8 | 0 | 0 | 0 | 0 | 113.7 | V205 V206 S207 K213 | V205-S209 WeakPolarHBondContact O-CB 3.29Å; V205-S209 PolarHBondContact O-N 2.69Å; V206-S209 PolarHBondContact O-N 3.01Å; S207-S209 PolarHBondContact O-N 3.01Å; S209-K213 VanDerWaalsContact O-CD 3.29Å; S209-K213 WeakPolarHBondContact O-CD 3.24Å; S209-K213 WeakPolarHBondContact O-CE 3.39Å; S209-K213 PolarHBondContact O-NZ 2.98Å |
| 210 | C | 94.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -118 | -20.7 | -163 | -58.1 | 0 | 0 | 0 | 0 | 116.5 | L160 L168 I170 V206 S207 K213 C216 V218 | L160-C210 HydrophobicContact CD1-CB 4.38Å; L168-C210 HydrophobicContact CD1-CB 4.32Å; I170-C210 HydrophobicContact CD1-CB 4.04Å; I170-C210 HydrophobicContact CG1-CB 4.19Å; V206-C210 HydrophobicContact CG1-CB 4.45Å; V206-C210 VanDerWaalsContact O-CB 3.23Å; V206-C210 WeakPolarHBondContact O-CB 3.35Å; V206-C210 PolarHBondContact O-N 3.17Å; V206-C210 PolarHBondContact O-SG 3.38Å; S207-C210 PolarHBondContact O-N 3.01Å; C210-K213 WeakPolarHBondContact O-CB 3.48Å; C210-K213 PolarHBondContact O-N 3.44Å; C210-C216 WeakPolarHBondContact CA-SG 3.39Å; C210-C216 HydrophobicContact CB-CB 3.48Å; C210-C216 VanDerWaalsContact CB-CB 3.48Å; C210-C216 WeakPolarHBondContact CB-SG 3.31Å; C210-C216 WeakPolarHBondContact SG-CB 3.3Å; C210-C216 CovalentContact SG-SG 2.03Å; C210-C216 PolarHBondContact SG-SG 2.71Å; C210-V218 VanDerWaalsContact SG-CG2 3.51Å |
| 211 | Y | 88.4 | Confident | 92.9 | Very high | 90 Ų | 90 | 55.1 Ų | 55.1 | 35% | 0.353 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.8 | 137.6 | -174.5 | -172.8 | -81.1 | 0 | 0 | 0 | 111.8 | I169 S207 K213 L249 I256 | I169-Y211 HydrophobicContact CD1-CD2 3.86Å; I169-Y211 HydrophobicContact CD1-CE1 4.18Å; I169-Y211 HydrophobicContact CD1-CE2 3.25Å; I169-Y211 VanDerWaalsContact CD1-CZ 3.42Å; S207-Y211 WeakPolarHBondContact O-CB 3.28Å; S207-Y211 PolarHBondContact O-N 2.9Å; Y211-K213 PolarHBondContact O-N 2.92Å; Y211-K213 VanDerWaalsContact O-N 3.07Å; Y211-L249 HydrophobicContact CE1-CD1 4.34Å; Y211-I256 HydrophobicContact CE1-CD1 4.09Å |
| 212 | S | 86.8 | Confident | 93 | Very high | 34 Ų | 34 | 53.1 Ų | 53.1 | 24% | 0.238 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | 8.5 | -178.8 | -156.9 | 0 | 0 | 0 | 0 | 115.5 | V167 L168 | V167-S212 WeakPolarHBondContact CG1-O 3.37Å; L168-S212 PolarHBondContact O-N 3.35Å |
| 213 | K | 91.4 | Very high | 92.9 | Very high | 103 Ų | 103 | 62.3 Ų | 62.3 | 45% | 0.448 | 32% | 0.323 | S | S | . | . | trans | -96.4 | 147.6 | 173.6 | -58.6 | -176.4 | -171.4 | 170.7 | 0 | 111 | L168 S209 C210 Y211 | L168-K213 WeakPolarHBondContact CB-O 3.28Å; L168-K213 WeakPolarHBondContact CD1-O 3.49Å; L168-K213 VanDerWaalsContact CG-O 3.29Å; L168-K213 WeakPolarHBondContact CG-O 3.33Å; L168-K213 PolarHBondContact N-O 3.44Å; S209-K213 VanDerWaalsContact O-CD 3.29Å; S209-K213 WeakPolarHBondContact O-CD 3.24Å; S209-K213 WeakPolarHBondContact O-CE 3.39Å; S209-K213 PolarHBondContact O-NZ 2.98Å; C210-K213 WeakPolarHBondContact O-CB 3.48Å; C210-K213 PolarHBondContact O-N 3.44Å; Y211-K213 PolarHBondContact O-N 2.92Å; Y211-K213 VanDerWaalsContact O-N 3.07Å | ||
| 214 | Q | 91.8 | Very high | 93 | Very high | 80 Ų | 80 | 62.8 Ų | 62.8 | 37% | 0.374 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -79.1 | -33.6 | 175.8 | -179.1 | 175.7 | -4.7 | 0 | 0 | 112.7 | R161 C162 T164 V167 | R161-Q214 CarbonylContact C-O 3.44Å; R161-Q214 WeakPolarHBondContact CA-O 3.09Å; C162-Q214 HydrophobicContact CB-CG 4.43Å; C162-Q214 PolarHBondContact N-O 3.19Å; C162-Q214 WeakPolarHBondContact O-CG 3.02Å; C162-Q214 PolarHBondContact O-NE2 2.97Å; T164-Q214 PolarHBondContact OG1-NE2 2.9Å; V167-Q214 HydrophobicContact CG1-CB 4.49Å |
| 215 | K | 95.4 | Very high | 93.1 | Very high | 128 Ų | 128 | 56.8 Ų | 56.8 | 56% | 0.557 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 133.8 | 175.5 | 173.4 | -177 | 172.5 | -165.8 | 0 | 107.8 | L160 R161 | L160-K215 WeakPolarHBondContact O-CA 3.37Å; R161-K215 HydrophobicContact CG-CG 4.3Å |
| 216 | C | 96.6 | Very high | 93 | Very high | 6 Ų | 6 | 64 Ų | 64 | 4% | 0.041 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 151.3 | 173.1 | -169.3 | 0 | 0 | 0 | 0 | 110 | I159 L160 L168 C210 | I159-C216 WeakPolarHBondContact CA-O 3.47Å; I159-C216 WeakPolarHBondContact CG2-O 3.35Å; L160-C216 HydrophobicContact CB-CB 4.31Å; L160-C216 PolarHBondContact N-O 3.1Å; L160-C216 PolarHBondContact O-N 3.08Å; L168-C216 HydrophobicContact CD1-CB 3.7Å; C210-C216 WeakPolarHBondContact CA-SG 3.39Å; C210-C216 HydrophobicContact CB-CB 3.48Å; C210-C216 VanDerWaalsContact CB-CB 3.48Å; C210-C216 WeakPolarHBondContact CB-SG 3.31Å; C210-C216 WeakPolarHBondContact SG-CB 3.3Å; C210-C216 CovalentContact SG-SG 2.03Å; C210-C216 PolarHBondContact SG-SG 2.71Å |
| 217 | A | 96.8 | Very high | 92.6 | Very high | 55 Ų | 55 | 67.1 Ų | 67.1 | 46% | 0.455 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 134.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | T157 M158 I159 | T157-A217 HydrophobicContact CG2-CB 4Å; M158-A217 CarbonylContact O-C 3.6Å; M158-A217 VanDerWaalsContact O-CA 3.3Å; M158-A217 WeakPolarHBondContact O-CA 3.38Å; I159-A217 HydrophobicContact CG1-CB 4.39Å |
| 218 | V | 96.5 | Very high | 92.4 | Very high | 10 Ų | 10 | 68.1 Ų | 68.1 | 6% | 0.061 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 123.8 | 179.7 | -168.9 | 0 | 0 | 0 | 0 | 109.3 | T157 M158 C210 T224 F225 | T157-V218 CarbonylContact C-O 3.59Å; T157-V218 WeakPolarHBondContact CA-O 3.28Å; M158-V218 PolarHBondContact N-O 3.07Å; M158-V218 PolarHBondContact O-N 3.2Å; C210-V218 VanDerWaalsContact SG-CG2 3.51Å; V218-T224 HydrophobicContact CG1-CG2 4.25Å; V218-F225 HydrophobicContact CG1-CE2 4.1Å; V218-F225 HydrophobicContact CG1-CZ 3.72Å |
| 219 | A | 96.4 | Very high | 92.2 | Very high | 47 Ų | 47 | 60.5 Ų | 60.5 | 39% | 0.388 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 131 | 174 | 0 | 0 | 0 | 0 | 0 | 110.2 | S221 T224 F225 | A219-S221 PolarHBondContact O-N 2.9Å; A219-T224 PolarHBondContact O-OG1 2.66Å; A219-F225 WeakPolarHBondContact O-CE2 3.43Å |
| 220 | V | 96.5 | Very high | 91.8 | Very high | 1 Ų | 1 | 65.1 Ų | 65.1 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | trans | -94.6 | 87.4 | -177 | -176.8 | 0 | 0 | 0 | 0 | 109 | A152 C153 G155 E156 M158 Y175 L237 | A152-V220 HydrophobicContact CB-CG2 4.02Å; C153-V220 WeakPolarHBondContact O-CB 3.32Å; C153-V220 WeakPolarHBondContact O-CG1 3.48Å; G155-V220 PolarHBondContact N-O 2.8Å; E156-V220 WeakPolarHBondContact O-CB 3.24Å; E156-V220 PolarHBondContact O-N 3.3Å; M158-V220 HydrophobicContact CB-CG2 4.17Å; Y175-V220 HydrophobicContact CD2-CG1 4.09Å; Y175-V220 HydrophobicContact CE2-CG1 3.58Å; V220-L237 HydrophobicContact CG1-CB 3.77Å; V220-L237 HydrophobicContact CG2-CB 3.96Å; V220-L237 HydrophobicContact CG2-CD2 4.12Å | ||
| 221 | S | 94.3 | Very high | 91.2 | Very high | 30 Ų | 30 | 71.2 Ų | 71.2 | 21% | 0.21 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -144 | 159.1 | -174.8 | 84.6 | 0 | 0 | 0 | 0 | 114.2 | A219 Q223 T224 F225 | A219-S221 PolarHBondContact O-N 2.9Å; S221-Q223 PolarHBondContact O-N 3.15Å; S221-Q223 PolarHBondContact OG-N 3.35Å; S221-T224 PolarHBondContact O-N 2.9Å; S221-T224 VanDerWaalsContact O-N 3.09Å; S221-T224 PolarHBondContact OG-N 3.49Å; S221-T224 VanDerWaalsContact OG-N 3.14Å; S221-T224 PolarHBondContact OG-OG1 2.9Å; S221-F225 PolarHBondContact O-N 3.36Å |
| 222 | N | 92.9 | Very high | 90.8 | Very high | 58 Ų | 58 | 70.3 Ų | 70.3 | 31% | 0.31 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.7 | -25.7 | 173.2 | -57.5 | -38.9 | 0 | 0 | 0 | 112.9 | E154 Y175 R226 D227 K235 | E154-N222 PolarHBondContact OE1-ND2 3.25Å; E154-N222 PolarHBondContact OE1-OD1 2.88Å; Y175-N222 WeakPolarHBondContact CE1-OD1 3.49Å; Y175-N222 PolarHBondContact OH-OD1 2.99Å; N222-R226 WeakPolarHBondContact O-CA 3.35Å; N222-R226 PolarHBondContact O-N 2.87Å; N222-D227 HydrophobicContact CB-CB 4.17Å; N222-D227 PolarHBondContact OD1-OD2 3.38Å; N222-K235 WeakPolarHBondContact OD1-CE 3.41Å; N222-K235 PolarHBondContact OD1-NZ 2.95Å |
| 223 | Q | 90.7 | Very high | 90.7 | Very high | 194 Ų | 194 | 69.5 Ų | 69.5 | 91% | 0.907 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -70.4 | -37.5 | 173.7 | -58.7 | 176 | 4.8 | 0 | 0 | 111 | S221 | S221-Q223 PolarHBondContact O-N 3.15Å; S221-Q223 PolarHBondContact OG-N 3.35Å |
| 224 | T | 91.7 | Very high | 90.4 | Very high | 49 Ų | 49 | 69.1 Ų | 69.1 | 30% | 0.301 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -78.3 | -39.4 | -177.9 | -47.4 | 0 | 0 | 0 | 0 | 112.5 | V205 V218 A219 S221 | V205-T224 HydrophobicContact CG1-CG2 4.07Å; V218-T224 HydrophobicContact CG1-CG2 4.25Å; A219-T224 PolarHBondContact O-OG1 2.66Å; S221-T224 PolarHBondContact O-N 2.9Å; S221-T224 VanDerWaalsContact O-N 3.09Å; S221-T224 PolarHBondContact OG-N 3.49Å; S221-T224 VanDerWaalsContact OG-N 3.14Å; S221-T224 PolarHBondContact OG-OG1 2.9Å |
| 225 | F | 92.7 | Very high | 90.4 | Very high | 7 Ų | 7 | 65.5 Ų | 65.5 | 3% | 0.031 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -115.9 | -12.9 | -169.7 | -68.5 | -69.5 | 0 | 0 | 0 | 115.4 | Y175 N199 A202 V205 V206 V218 A219 S221 L237 | Y175-F225 HydrophobicContact CD1-CB 3.36Å; Y175-F225 HydrophobicContact CD1-CD2 4.48Å; Y175-F225 HydrophobicContact CD1-CG 4.17Å; Y175-F225 HydrophobicContact CD2-CB 4.45Å; Y175-F225 HydrophobicContact CD2-CD2 4.14Å; Y175-F225 HydrophobicContact CD2-CG 4.43Å; Y175-F225 HydrophobicContact CE1-CB 3.94Å; Y175-F225 HydrophobicContact CG-CB 3.64Å; Y175-F225 HydrophobicContact CG-CD2 4.11Å; Y175-F225 AromaticContact CG-CG 3.94Å; Y175-F225 HydrophobicContact CG-CG 3.94Å; N199-F225 PolarHBondContact ND2-O 3.22Å; A202-F225 HydrophobicContact CB-CD1 3.57Å; A202-F225 HydrophobicContact CB-CE1 3.83Å; A202-F225 HydrophobicContact CB-CG 4.5Å; V205-F225 HydrophobicContact CB-CD1 4.15Å; V205-F225 HydrophobicContact CB-CE1 3.83Å; V205-F225 HydrophobicContact CG1-CD1 4.27Å; V205-F225 HydrophobicContact CG1-CE1 3.85Å; V205-F225 HydrophobicContact CG1-CZ 4.44Å; V205-F225 HydrophobicContact CG2-CD1 4.45Å; V206-F225 HydrophobicContact CG2-CE1 3.84Å; V206-F225 HydrophobicContact CG2-CZ 3.9Å; V218-F225 HydrophobicContact CG1-CE2 4.1Å; V218-F225 HydrophobicContact CG1-CZ 3.72Å; A219-F225 WeakPolarHBondContact O-CE2 3.43Å; S221-F225 PolarHBondContact O-N 3.36Å; F225-L237 HydrophobicContact CD1-CD1 4.43Å; F225-L237 HydrophobicContact CE1-CD1 3.89Å; F225-L237 HydrophobicContact CE2-CD1 4.07Å; F225-L237 HydrophobicContact CE2-CD2 3.89Å; F225-L237 HydrophobicContact CE2-CG 4.45Å; F225-L237 HydrophobicContact CZ-CD1 3.69Å; F225-L237 HydrophobicContact CZ-CD2 3.61Å; F225-L237 HydrophobicContact CZ-CG 4.26Å |
| 226 | R | 89.5 | Confident | 90.3 | Very high | 205 Ų | 205 | 60 Ų | 60 | 77% | 0.774 | 33% | 0.332 | S | S | * | . | trans | 63.5 | 143.8 | -161.4 | -52 | -176.8 | 179 | -166.8 | -1.7 | 112.4 | Y175 N222 P228 | Y175-R226 WeakPolarHBondContact CD1-O 3.39Å; N222-R226 WeakPolarHBondContact O-CA 3.35Å; N222-R226 PolarHBondContact O-N 2.87Å; R226-P228 WeakPolarHBondContact O-CD 3.43Å | ||
| 227 | D | 87.9 | Confident | 90.3 | Very high | 66 Ų | 66 | 59.7 Ų | 59.7 | 35% | 0.353 | 33% | 0.33 | S | S | . | . | trans | -85.8 | 120.1 | 179.4 | -160.5 | -22.1 | 0 | 0 | 0 | 110.4 | N222 C229 K235 | N222-D227 HydrophobicContact CB-CB 4.17Å; N222-D227 PolarHBondContact OD1-OD2 3.38Å; D227-C229 WeakPolarHBondContact OD1-CB 3.36Å; D227-C229 PolarHBondContact OD1-N 2.94Å; D227-K235 VanDerWaalsContact CG-NZ 3.32Å; D227-K235 WeakPolarHBondContact OD1-CD 3.29Å; D227-K235 WeakPolarHBondContact OD1-CE 3.47Å; D227-K235 IonicContact OD1-NZ 2.65Å; D227-K235 PolarHBondContact OD1-NZ 3.42Å; D227-K235 VanDerWaalsContact OD2-CE 3.26Å; D227-K235 WeakPolarHBondContact OD2-CE 3.35Å; D227-K235 IonicContact OD2-NZ 3.13Å; D227-K235 PolarHBondContact OD2-NZ 3.28Å | ||
| 228 | P | 86.7 | Confident | 90.2 | Very high | 50 Ų | 50 | 58.7 Ų | 58.7 | 33% | 0.325 | 32% | 0.32 | S | S | . | . | trans | -91.3 | -3.1 | 172.5 | 37.6 | -35.4 | 0 | 0 | 0 | 113.4 | N199 R226 | N199-P228 HydrophobicContact CB-CB 4.1Å; N199-P228 HydrophobicContact CB-CG 3.96Å; R226-P228 WeakPolarHBondContact O-CD 3.43Å | ||
| 229 | C | 86.9 | Confident | 90.1 | Very high | 17 Ų | 17 | 58.2 Ų | 58.2 | 12% | 0.115 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -107.2 | 163.5 | -169.9 | -61.5 | 0 | 0 | 0 | 0 | 112.6 | C197 D227 T233 K235 | C197-C229 HydrophobicContact CB-CB 3.84Å; C197-C229 WeakPolarHBondContact CB-SG 3.4Å; C197-C229 PolarHBondContact O-SG 3.32Å; C197-C229 WeakPolarHBondContact SG-CB 3.39Å; C197-C229 CovalentContact SG-SG 2.03Å; C197-C229 PolarHBondContact SG-SG 2.99Å; D227-C229 WeakPolarHBondContact OD1-CB 3.36Å; D227-C229 PolarHBondContact OD1-N 2.94Å; C229-T233 HydrophobicContact CB-CG2 3.95Å; C229-K235 HydrophobicContact CB-CD 4.04Å; C229-K235 HydrophobicContact CB-CG 4.4Å |
| 230 | F | 83.6 | Confident | 89.9 | Confident | 138 Ų | 138 | 58.8 Ų | 58.8 | 61% | 0.605 | 31% | 0.313 | S | S | * | . | trans | -69.1 | 146.6 | 168.4 | -69.2 | -92.8 | 0 | 0 | 0 | 110.8 | F195 T233 | F195-F230 HydrophobicContact CE1-CD2 4.44Å; F195-F230 AromaticContact CE2-CD2 3.63Å; F195-F230 HydrophobicContact CE2-CD2 3.63Å; F195-F230 HydrophobicContact CE2-CE2 4.02Å; F195-F230 AromaticContact CZ-CD2 3.42Å; F195-F230 HydrophobicContact CZ-CD2 3.42Å; F195-F230 VanDerWaalsContact CZ-CD2 3.42Å; F195-F230 AromaticContact CZ-CE2 3.83Å; F195-F230 HydrophobicContact CZ-CE2 3.83Å; F195-F230 HydrophobicContact CZ-CG 4.33Å; F230-T233 VanDerWaalsContact O-CB 3.27Å; F230-T233 WeakPolarHBondContact O-CB 3.39Å; F230-T233 PolarHBondContact O-N 3.09Å; F230-T233 VanDerWaalsContact O-N 3.17Å; F230-T233 PolarHBondContact O-OG1 2.88Å | ||
| 231 | P | 82.7 | Confident | 89.5 | Confident | 128 Ų | 128 | 59.8 Ų | 59.8 | 83% | 0.831 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 143.4 | -177.2 | 23.3 | -34.5 | 0 | 0 | 0 | 112.2 | T233 | P231-T233 VanDerWaalsContact C-N 3.32Š|
| 232 | G | 78.6 | Confident | 89.2 | Confident | 71 Ų | 71 | 58.4 Ų | 58.4 | 73% | 0.732 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | -9.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | R234 | G232-R234 PolarHBondContact O-N 3.49Š|
| 233 | T | 84.6 | Confident | 88.9 | Confident | 17 Ų | 17 | 56.9 Ų | 56.9 | 10% | 0.104 | 30% | 0.301 | C | S | . | . | trans | -76.1 | 109.8 | 171.7 | -50.1 | 0 | 0 | 0 | 0 | 110.3 | R177 P193 C229 F230 P231 K235 | R177-T233 HydrophobicContact CB-CG2 4.1Å; P193-T233 HydrophobicContact CG-CG2 4.1Å; C229-T233 HydrophobicContact CB-CG2 3.95Å; F230-T233 VanDerWaalsContact O-CB 3.27Å; F230-T233 WeakPolarHBondContact O-CB 3.39Å; F230-T233 PolarHBondContact O-N 3.09Å; F230-T233 VanDerWaalsContact O-N 3.17Å; F230-T233 PolarHBondContact O-OG1 2.88Å; P231-T233 VanDerWaalsContact C-N 3.32Å; T233-K235 PolarHBondContact O-N 2.94Å; T233-K235 PolarHBondContact O-NZ 2.93Å | ||
| 234 | R | 86.2 | Confident | 88.2 | Confident | 95 Ų | 95 | 48.3 Ų | 48.3 | 36% | 0.358 | 26% | 0.262 | S | S | . | . | trans | -72.2 | 122.1 | 171.3 | -167.7 | -178.8 | -165.3 | 174.9 | 5.7 | 110.2 | R177 P186 G232 | R177-R234 PolarHBondContact NH1-O 2.95Å; P186-R234 VanDerWaalsContact O-CD 3.25Å; P186-R234 WeakPolarHBondContact O-CD 3.49Å; P186-R234 PolarHBondContact O-NH1 3.41Å; G232-R234 PolarHBondContact O-N 3.49Å | ||
| 235 | K | 91.1 | Very high | 87.6 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.017 | 25% | 0.252 | C | S | . | . | trans | -103.3 | 173 | -174.8 | -66 | 168 | -64.4 | -66.7 | 0 | 112.3 | E154 Y175 G176 N222 D227 C229 T233 | E154-K235 HydrophobicContact CB-CB 4.39Å; E154-K235 VanDerWaalsContact CB-O 3.28Å; E154-K235 WeakPolarHBondContact CB-O 3.33Å; E154-K235 PolarHBondContact N-O 3.39Å; E154-K235 WeakPolarHBondContact OE1-CE 3.24Å; E154-K235 IonicContact OE1-NZ 3.68Å; E154-K235 PolarHBondContact OE1-NZ 2.94Å; E154-K235 WeakPolarHBondContact OE2-CE 3.33Å; E154-K235 PolarHBondContact OE2-N 3.36Å; E154-K235 IonicContact OE2-NZ 2.96Å; E154-K235 PolarHBondContact OE2-NZ 3.44Å; Y175-K235 HydrophobicContact CE1-CB 4.5Å; Y175-K235 HydrophobicContact CE1-CD 3.91Å; Y175-K235 HydrophobicContact CE2-CB 3.94Å; Y175-K235 WeakPolarHBondContact OH-CE 3.28Å; G176-K235 CarbonylContact O-C 3.58Å; G176-K235 VanDerWaalsContact O-CA 3.28Å; G176-K235 WeakPolarHBondContact O-CA 3.23Å; G176-K235 WeakPolarHBondContact O-CB 3.47Å; N222-K235 WeakPolarHBondContact OD1-CE 3.41Å; N222-K235 PolarHBondContact OD1-NZ 2.95Å; D227-K235 VanDerWaalsContact CG-NZ 3.32Å; D227-K235 WeakPolarHBondContact OD1-CD 3.29Å; D227-K235 WeakPolarHBondContact OD1-CE 3.47Å; D227-K235 IonicContact OD1-NZ 2.65Å; D227-K235 PolarHBondContact OD1-NZ 3.42Å; D227-K235 VanDerWaalsContact OD2-CE 3.26Å; D227-K235 WeakPolarHBondContact OD2-CE 3.35Å; D227-K235 IonicContact OD2-NZ 3.13Å; D227-K235 PolarHBondContact OD2-NZ 3.28Å; C229-K235 HydrophobicContact CB-CD 4.04Å; C229-K235 HydrophobicContact CB-CG 4.4Å; T233-K235 PolarHBondContact O-N 2.94Å; T233-K235 PolarHBondContact O-NZ 2.93Å | ||
| 236 | Y | 93.4 | Very high | 86.6 | Confident | 11 Ų | 11 | 51.6 Ų | 51.6 | 4% | 0.043 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 156.5 | 170 | 48.9 | -88.9 | 0 | 0 | 0 | 110.5 | V151 A152 Y175 G176 R177 G178 Q181 T184 C185 | V151-Y236 HydrophobicContact CG1-CD2 3.79Å; V151-Y236 HydrophobicContact CG1-CG 4.04Å; A152-Y236 CarbonylContact O-C 3.54Å; A152-Y236 VanDerWaalsContact O-CA 3.3Å; A152-Y236 WeakPolarHBondContact O-CA 3.4Å; A152-Y236 WeakPolarHBondContact O-CB 3.29Å; Y175-Y236 WeakPolarHBondContact CA-O 3.44Å; Y175-Y236 WeakPolarHBondContact CD2-O 3.39Å; G176-Y236 PolarHBondContact N-O 3.17Å; G176-Y236 PolarHBondContact O-N 2.88Å; R177-Y236 HydrophobicContact CB-CE1 4.25Å; R177-Y236 HydrophobicContact CG-CE1 3.95Å; G178-Y236 PolarHBondContact N-OH 3.39Å; Q181-Y236 PolarHBondContact OE1-OH 3.46Å; T184-Y236 HydrophobicContact CG2-CD1 3.79Å; T184-Y236 HydrophobicContact CG2-CD2 3.9Å; T184-Y236 HydrophobicContact CG2-CE1 3.8Å; T184-Y236 HydrophobicContact CG2-CE2 3.89Å; T184-Y236 HydrophobicContact CG2-CG 3.85Å; C185-Y236 HydrophobicContact CB-CD1 4.13Å |
| 237 | L | 96.1 | Very high | 85.2 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 122.8 | 166.3 | -179.7 | 72.6 | 0 | 0 | 0 | 107.7 | V151 A152 M158 A173 V174 Y175 A202 V206 V220 F225 V239 | V151-L237 VanDerWaalsContact CA-O 3.29Å; V151-L237 WeakPolarHBondContact CA-O 3.07Å; A152-L237 PolarHBondContact N-O 2.95Å; A152-L237 PolarHBondContact O-N 3.45Å; M158-L237 HydrophobicContact CE-CB 4.2Å; M158-L237 HydrophobicContact CE-CD2 3.99Å; M158-L237 HydrophobicContact CE-CG 4.08Å; M158-L237 WeakPolarHBondContact CE-O 3.44Å; M158-L237 HydrophobicContact SD-CD2 3.98Å; A173-L237 HydrophobicContact CB-CD1 4.3Å; V174-L237 WeakPolarHBondContact O-CA 3.48Å; Y175-L237 HydrophobicContact CD2-CB 4.15Å; A202-L237 HydrophobicContact CB-CD1 4.09Å; V206-L237 HydrophobicContact CG2-CD1 4.24Å; V206-L237 HydrophobicContact CG2-CD2 4.07Å; V220-L237 HydrophobicContact CG1-CB 3.77Å; V220-L237 HydrophobicContact CG2-CB 3.96Å; V220-L237 HydrophobicContact CG2-CD2 4.12Å; F225-L237 HydrophobicContact CD1-CD1 4.43Å; F225-L237 HydrophobicContact CE1-CD1 3.89Å; F225-L237 HydrophobicContact CE2-CD1 4.07Å; F225-L237 HydrophobicContact CE2-CD2 3.89Å; F225-L237 HydrophobicContact CE2-CG 4.45Å; F225-L237 HydrophobicContact CZ-CD1 3.69Å; F225-L237 HydrophobicContact CZ-CD2 3.61Å; F225-L237 HydrophobicContact CZ-CG 4.26Å; L237-V239 HydrophobicContact CD1-CG2 4.4Å; L237-V239 HydrophobicContact CD2-CG2 3.84Å; L237-V239 HydrophobicContact CG-CG2 3.83Å |
| 238 | S | 95.2 | Very high | 83.9 | Confident | 35 Ų | 35 | 41.1 Ų | 41.1 | 25% | 0.245 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 129.5 | 167.1 | -176.2 | 0 | 0 | 0 | 0 | 109.1 | A173 V174 | A173-S238 CarbonylContact C-O 3.56Å; A173-S238 VanDerWaalsContact CA-O 3.22Å; A173-S238 WeakPolarHBondContact CA-O 3.22Å; V174-S238 PolarHBondContact N-O 3.18Å; V174-S238 PolarHBondContact O-N 3.46Å |
| 239 | V | 94.8 | Very high | 82.7 | Confident | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 127.8 | 179.6 | -177.1 | 0 | 0 | 0 | 0 | 110.3 | T149 Q150 M158 L160 I170 A173 V206 L237 Y241 | T149-V239 WeakPolarHBondContact CA-O 3.34Å; Q150-V239 PolarHBondContact N-O 3.43Å; Q150-V239 PolarHBondContact O-N 3.14Å; M158-V239 HydrophobicContact CE-CB 4.49Å; M158-V239 HydrophobicContact CE-CG2 3.92Å; M158-V239 HydrophobicContact SD-CB 3.98Å; M158-V239 HydrophobicContact SD-CG2 3.41Å; M158-V239 WeakPolarHBondContact SD-CG2 3.47Å; L160-V239 HydrophobicContact CD1-CG1 4.18Å; I170-V239 HydrophobicContact CD1-CG1 4.21Å; I170-V239 HydrophobicContact CG2-CG1 4.09Å; A173-V239 HydrophobicContact CB-CB 4.46Å; A173-V239 HydrophobicContact CB-CG1 4.45Å; A173-V239 HydrophobicContact CB-CG2 3.87Å; V206-V239 HydrophobicContact CG1-CG1 4.03Å; V206-V239 HydrophobicContact CG1-CG2 4.13Å; V206-V239 HydrophobicContact CG2-CG2 4.23Å; L237-V239 HydrophobicContact CD1-CG2 4.4Å; L237-V239 HydrophobicContact CD2-CG2 3.84Å; L237-V239 HydrophobicContact CG-CG2 3.83Å; V239-Y241 HydrophobicContact CG1-CD1 4.32Å |
| 240 | L | 91 | Very high | 81.4 | Confident | 59 Ų | 59 | 46.2 Ų | 46.2 | 31% | 0.309 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 114.7 | 171.1 | -174.2 | 69.5 | 0 | 0 | 0 | 109.3 | H147 T149 Y171 A172 | H147-L240 HydrophobicContact CB-CD1 3.94Å; T149-L240 WeakPolarHBondContact OG1-CD1 3.49Å; Y171-L240 PolarHBondContact N-O 3.23Å; A172-L240 HydrophobicContact CB-CB 4.2Å; A172-L240 PolarHBondContact N-O 2.79Å; A172-L240 PolarHBondContact O-N 3.21Å |
| 241 | Y | 89.2 | Confident | 80 | Confident | 21 Ų | 21 | 43.9 Ų | 43.9 | 8% | 0.082 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 166.5 | -174.4 | 73.6 | -83.1 | 0 | 0 | 0 | 113.1 | K148 Q150 L160 L168 I169 V239 | K148-Y241 HydrophobicContact CB-CD1 4.26Å; K148-Y241 HydrophobicContact CB-CE1 3.88Å; K148-Y241 HydrophobicContact CB-CE2 4.28Å; K148-Y241 PolarHBondContact N-O 3.18Å; K148-Y241 WeakPolarHBondContact O-CD1 3.39Å; K148-Y241 PolarHBondContact O-N 3.29Å; Q150-Y241 HydrophobicContact CB-CE1 3.91Å; Q150-Y241 PolarHBondContact OE1-OH 2.76Å; L160-Y241 HydrophobicContact CD2-CD1 4.07Å; L160-Y241 HydrophobicContact CD2-CE1 3.73Å; L168-Y241 HydrophobicContact CD2-CD2 3.47Å; L168-Y241 VanDerWaalsContact CD2-CD2 3.47Å; L168-Y241 HydrophobicContact CD2-CE2 3.65Å; L168-Y241 HydrophobicContact CD2-CG 4.41Å; I169-Y241 CarbonylContact O-C 3.57Å; I169-Y241 WeakPolarHBondContact O-CA 3.39Å; I169-Y241 WeakPolarHBondContact O-CB 3.24Å; V239-Y241 HydrophobicContact CG1-CD1 4.32Å |
| 242 | S | 86.9 | Confident | 78.4 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 166 | 166.4 | 67.9 | 0 | 0 | 0 | 0 | 110.9 | E146 I169 Y171 | E146-S242 WeakPolarHBondContact O-CB 3.32Å; I169-S242 PolarHBondContact N-O 3.15Å; I169-S242 PolarHBondContact O-N 2.96Å; Y171-S242 WeakPolarHBondContact CE2-OG 3.47Å; Y171-S242 PolarHBondContact OH-OG 2.99Å |
| 243 | C | 87.3 | Confident | 77 | Confident | 26 Ų | 26 | 40 Ų | 40 | 18% | 0.176 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 114 | 172.7 | -75.3 | 0 | 0 | 0 | 0 | 109 | C162 N166 V167 | C162-C243 WeakPolarHBondContact CA-SG 3.46Å; C162-C243 HydrophobicContact CB-CB 3.79Å; C162-C243 WeakPolarHBondContact CB-SG 3.45Å; C162-C243 VanDerWaalsContact SG-CA 3.5Å; C162-C243 WeakPolarHBondContact SG-CB 3.38Å; C162-C243 CovalentContact SG-SG 2.04Å; C162-C243 PolarHBondContact SG-SG 2.93Å; N166-C243 HydrophobicContact CB-CB 4.12Å; V167-C243 WeakPolarHBondContact O-CA 3.35Å |
| 244 | V | 76.9 | Confident | 75.5 | Confident | 14 Ų | 14 | 44.1 Ų | 44.1 | 9% | 0.085 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 143 | -175.8 | -52.3 | 0 | 0 | 0 | 0 | 111.2 | N166 V167 I169 K246 L248 L249 | N166-V244 CarbonylContact C-O 3.57Å; N166-V244 VanDerWaalsContact CA-O 3.25Å; N166-V244 WeakPolarHBondContact CA-O 3.29Å; V167-V244 WeakPolarHBondContact CG2-O 3.45Å; V167-V244 PolarHBondContact N-O 3.14Å; V167-V244 PolarHBondContact O-N 2.94Å; I169-V244 HydrophobicContact CG1-CG1 4.48Å; I169-V244 HydrophobicContact CG1-CG2 3.66Å; V244-K246 PolarHBondContact O-N 3.33Å; V244-L248 HydrophobicContact CB-CD1 3.65Å; V244-L248 HydrophobicContact CG2-CD1 4.08Å; V244-L249 HydrophobicContact CG2-CD2 3.85Å; V244-L249 HydrophobicContact CG2-CG 4.23Å |
| 245 | P | 77.8 | Confident | 73.7 | Confident | 13 Ų | 13 | 44.5 Ų | 44.5 | 8% | 0.084 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -47.4 | 133.6 | 175.9 | -31.5 | 33 | 0 | 0 | 0 | 114.3 | N166 S247 L248 | N166-P245 WeakPolarHBondContact OD1-CA 3.39Å; N166-P245 WeakPolarHBondContact OD1-CD 3.41Å; N166-P245 WeakPolarHBondContact OD1-CG 3.07Å; P245-S247 PolarHBondContact O-N 3.03Å; P245-S247 VanDerWaalsContact O-N 3.13Å; P245-L248 HydrophobicContact CB-CD1 4.1Å; P245-L248 HydrophobicContact CG-CD1 4.15Å; P245-L248 VanDerWaalsContact O-CB 3.29Å; P245-L248 WeakPolarHBondContact O-CB 3.46Å; P245-L248 PolarHBondContact O-N 3.03Å |
| 246 | K | 72 | Confident | 71.9 | Confident | 111 Ų | 111 | 47.2 Ų | 47.2 | 48% | 0.483 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.4 | -23.3 | -178.8 | -169.3 | 176 | -179.6 | -177.9 | 0 | 114 | P165 V167 V244 L248 L249 | P165-K246 WeakPolarHBondContact O-CB 3.12Å; P165-K246 PolarHBondContact O-N 2.93Å; V167-K246 HydrophobicContact CG1-CB 4.04Å; V167-K246 HydrophobicContact CG1-CD 4.2Å; V167-K246 HydrophobicContact CG1-CG 4.12Å; V167-K246 HydrophobicContact CG2-CB 4.16Å; V167-K246 HydrophobicContact CG2-CG 4.41Å; V244-K246 PolarHBondContact O-N 3.33Å; K246-L248 VanDerWaalsContact C-N 3.3Å; K246-L248 PolarHBondContact O-N 3.08Å; K246-L249 PolarHBondContact O-N 2.97Å |
| 247 | S | 60.6 | Low | 69.8 | Low | 42 Ų | 42 | 54.5 Ų | 54.5 | 29% | 0.294 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.1 | -39.6 | 172.9 | 37.5 | 0 | 0 | 0 | 0 | 112.5 | P245 L249 | P245-S247 PolarHBondContact O-N 3.03Å; P245-S247 VanDerWaalsContact O-N 3.13Å; S247-L249 PolarHBondContact O-N 3.12Å |
| 248 | L | 61.3 | Low | 67.2 | Low | 10 Ų | 10 | 59.4 Ų | 59.4 | 5% | 0.052 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -53.1 | -55.4 | 176.2 | -77.5 | 153.2 | 0 | 0 | 0 | 112.1 | Y40 L41 I44 V244 P245 K246 K250 E251 A252 | Y40-L248 HydrophobicContact CD1-CD1 4.27Å; Y40-L248 HydrophobicContact CD1-CD2 3.46Å; Y40-L248 VanDerWaalsContact CD1-CD2 3.46Å; Y40-L248 HydrophobicContact CD1-CG 3.91Å; Y40-L248 HydrophobicContact CE1-CD1 3.81Å; Y40-L248 HydrophobicContact CE1-CD2 3.73Å; Y40-L248 HydrophobicContact CE1-CG 3.98Å; L41-L248 HydrophobicContact CB-CD2 3.94Å; L41-L248 HydrophobicContact CD1-CB 3.9Å; L41-L248 HydrophobicContact CD1-CD2 3.34Å; L41-L248 HydrophobicContact CD1-CG 4.25Å; L41-L248 WeakPolarHBondContact CD1-O 3.42Å; L41-L248 WeakPolarHBondContact CD2-O 3.2Å; L41-L248 HydrophobicContact CG-CD2 4.24Å; I44-L248 HydrophobicContact CD1-CD2 3.92Å; V244-L248 HydrophobicContact CB-CD1 3.65Å; V244-L248 HydrophobicContact CG2-CD1 4.08Å; P245-L248 HydrophobicContact CB-CD1 4.1Å; P245-L248 HydrophobicContact CG-CD1 4.15Å; P245-L248 VanDerWaalsContact O-CB 3.29Å; P245-L248 WeakPolarHBondContact O-CB 3.46Å; P245-L248 PolarHBondContact O-N 3.03Å; K246-L248 VanDerWaalsContact C-N 3.3Å; K246-L248 PolarHBondContact O-N 3.08Å; L248-K250 PolarHBondContact O-N 3.46Å; L248-E251 PolarHBondContact O-N 3.2Å; L248-A252 PolarHBondContact O-N 2.62Å |
| 249 | L | 61.5 | Low | 64.4 | Low | 15 Ų | 15 | 62.2 Ų | 62.2 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.3 | -26.1 | -164.4 | -54.8 | -169.5 | 0 | 0 | 0 | 113.1 | V167 I169 Y211 V244 K246 S247 E251 A252 | V167-L249 HydrophobicContact CG2-CD1 3.55Å; V167-L249 HydrophobicContact CG2-CG 4.18Å; I169-L249 HydrophobicContact CD1-CD1 3.64Å; I169-L249 HydrophobicContact CD1-CD2 3.69Å; I169-L249 HydrophobicContact CD1-CG 4.33Å; I169-L249 HydrophobicContact CG1-CD1 4.29Å; I169-L249 HydrophobicContact CG1-CD2 4.11Å; Y211-L249 HydrophobicContact CE1-CD1 4.34Å; V244-L249 HydrophobicContact CG2-CD2 3.85Å; V244-L249 HydrophobicContact CG2-CG 4.23Å; K246-L249 PolarHBondContact O-N 2.97Å; S247-L249 PolarHBondContact O-N 3.12Å; L249-E251 VanDerWaalsContact C-N 3.27Å; L249-E251 PolarHBondContact O-N 3.32Å; L249-A252 PolarHBondContact O-N 3.36Å |
| 250 | K | 59.3 | Low | 61.8 | Low | 159 Ų | 159 | 68.5 Ų | 68.5 | 69% | 0.691 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -64.8 | -28.8 | 177.8 | -74.4 | -170.7 | 167.8 | -167.3 | 0 | 113.9 | L248 | L248-K250 PolarHBondContact O-N 3.46Å |
| 251 | E | 54.2 | Low | 59 | Low | 89 Ų | 89 | 71 Ų | 71 | 42% | 0.416 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -101 | -6.2 | -174.3 | -169.1 | 167.3 | -165.2 | 0 | 0 | 111.3 | S38 L41 L248 L249 | S38-E251 VanDerWaalsContact CA-OE2 3.29Å; S38-E251 WeakPolarHBondContact CA-OE2 3.37Å; S38-E251 WeakPolarHBondContact CB-OE1 3.46Å; S38-E251 PolarHBondContact OG-OE1 3.32Å; L41-E251 HydrophobicContact CB-CB 4.41Å; L41-E251 HydrophobicContact CD2-CB 3.55Å; L41-E251 HydrophobicContact CD2-CG 3.95Å; L41-E251 VanDerWaalsContact CD2-O 3.24Å; L41-E251 WeakPolarHBondContact CD2-O 3.39Å; L248-E251 PolarHBondContact O-N 3.2Å; L249-E251 VanDerWaalsContact C-N 3.27Å; L249-E251 PolarHBondContact O-N 3.32Å |
| 252 | A | 47.7 | Very low | 56.3 | Low | 46 Ų | 46 | 77.1 Ų | 77.1 | 38% | 0.38 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -87.9 | -40.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L41 I45 L248 L249 | L41-A252 HydrophobicContact CD1-CB 4.13Å; L41-A252 VanDerWaalsContact CD2-CA 3.43Å; L41-A252 HydrophobicContact CD2-CB 3.7Å; I45-A252 HydrophobicContact CD1-CB 3.47Å; I45-A252 VanDerWaalsContact CD1-CB 3.47Å; L248-A252 PolarHBondContact O-N 2.62Å; L249-A252 PolarHBondContact O-N 3.36Å |
| 253 | D | 50 | Low | 54 | Low | 70 Ų | 70 | 82 Ų | 82 | 37% | 0.374 | 47% | 0.474 | S | S | . | . | trans | -143.6 | 98.9 | 172.6 | 179.1 | 0.5 | 0 | 0 | 0 | 108 | N255 I256 | D253-N255 PolarHBondContact O-N 3.36Å; D253-N255 VanDerWaalsContact O-N 3.15Å; D253-N255 WeakPolarHBondContact OD1-CB 3.3Å; D253-N255 PolarHBondContact OD1-N 3.01Å; D253-I256 HydrophobicContact CB-CD1 3.85Å; D253-I256 HydrophobicContact CB-CG1 3.81Å; D253-I256 WeakPolarHBondContact OD2-CG1 3.39Å | ||
| 254 | P | 52.3 | Low | 51.3 | Low | 105 Ų | 105 | 87.4 Ų | 87.4 | 68% | 0.682 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -7.7 | 179.6 | 28.1 | -34.5 | 0 | 0 | 0 | 113.2 | ||
| 255 | N | 49.5 | Very low | 49 | Very low | 103 Ų | 103 | 93 Ų | 93 | 55% | 0.551 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | -1.2 | -174.4 | -58.4 | -66.6 | 0 | 0 | 0 | 114.5 | D253 L257 S258 | D253-N255 PolarHBondContact O-N 3.36Å; D253-N255 VanDerWaalsContact O-N 3.15Å; D253-N255 WeakPolarHBondContact OD1-CB 3.3Å; D253-N255 PolarHBondContact OD1-N 3.01Å; N255-L257 PolarHBondContact O-N 3Å; N255-S258 PolarHBondContact O-N 3.47Å |
| 256 | I | 53.1 | Low | 46.9 | Very low | 61 Ų | 61 | 101.1 Ų | 101.1 | 31% | 0.313 | 58% | 0.577 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.8 | -21.8 | -176.5 | -71.2 | -179.4 | 0 | 0 | 0 | 113.8 | Y211 D253 | Y211-I256 HydrophobicContact CE1-CD1 4.09Å; D253-I256 HydrophobicContact CB-CD1 3.85Å; D253-I256 HydrophobicContact CB-CG1 3.81Å; D253-I256 WeakPolarHBondContact OD2-CG1 3.39Å |
| 257 | L | 48.9 | Very low | 44.8 | Very low | 164 Ų | 164 | 105.8 Ų | 105.8 | 86% | 0.859 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -14.5 | 175.9 | -101.5 | 76.1 | 0 | 0 | 0 | 114.9 | N255 | N255-L257 PolarHBondContact O-N 3Š|
| 258 | S | 41.3 | Very low | 43.1 | Very low | 102 Ų | 102 | 108 Ų | 108 | 71% | 0.713 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -85.7 | -5.8 | -171.1 | -60.2 | 0 | 0 | 0 | 0 | 114.5 | N255 | N255-S258 PolarHBondContact O-N 3.47Š|
| 259 | S | 37 | Very low | 42.3 | Very low | 95 Ų | 95 | 113.7 Ų | 113.7 | 66% | 0.664 | 66% | 0.656 | S | S | * | * | trans | -119.8 | 48.3 | -170.3 | 52.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 260 | T | 39 | Very low | 40.7 | Very low | 131 Ų | 131 | 117 Ų | 117 | 80% | 0.804 | 69% | 0.686 | S | S | * | * | trans | -121.1 | 71 | 165.2 | -57.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 261 | S | 34.1 | Very low | 39.2 | Very low | 112 Ų | 112 | 113.9 Ų | 113.9 | 78% | 0.783 | 69% | 0.689 | S | S | * | * | trans | -143 | 135.2 | 156.2 | 52.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 262 | L | 32.5 | Very low | 37.8 | Very low | 149 Ų | 149 | 116.5 Ų | 116.5 | 78% | 0.78 | 71% | 0.706 | S | S | * | * | trans | -126.3 | 164.6 | 174.5 | -91.3 | 85.4 | 0 | 0 | 0 | 107.5 | ||||
| 263 | P | 38.3 | Very low | 37.1 | Very low | 105 Ų | 105 | 121.2 Ų | 121.2 | 68% | 0.682 | 72% | 0.724 | S | S | * | * | cis | -128.8 | 174.9 | -22.1 | 36 | -20.1 | 0 | 0 | 0 | 112.5 | ||||
| 264 | T | 29.5 | Very low | 36.1 | Very low | 140 Ų | 140 | 125.7 Ų | 125.7 | 86% | 0.859 | 74% | 0.743 | S | S | * | * | trans | -75.4 | 136.6 | 170.2 | -37.8 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 265 | T | 28.2 | Very low | 34.8 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | trans | -143 | 140.4 | 164 | -17.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 266 | E | 35 | Very low | 33.9 | Very low | 183 Ų | 183 | 127 Ų | 127 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | trans | -94.2 | 132.5 | -169.8 | -56.5 | 174.5 | 118.1 | 0 | 0 | 113.6 | ||||
| 267 | K | 26.8 | Very low | 32.8 | Very low | 209 Ų | 209 | 135.9 Ų | 135.9 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | 178.9 | 158.8 | 126 | -103.6 | 176.2 | 177.5 | -179.8 | 0 | 113.8 | |||||
| 268 | A | 26.6 | Very low | 32.2 | Very low | 89 Ų | 89 | 133.4 Ų | 133.4 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | -152 | 178.1 | 173 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 269 | P | 43.3 | Very low | 32 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | cis | -114 | -154.2 | -6.8 | 42 | -26 | 0 | 0 | 0 | 110.4 | ||||
| 270 | A | 27.7 | Very low | 32.1 | Very low | 85 Ų | 85 | 137.4 Ų | 137.4 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | cis | -157.5 | 169.9 | 3.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 271 | A | 28.3 | Very low | 31.9 | Very low | 92 Ų | 92 | 137.1 Ų | 137.1 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | 66.2 | 147.2 | 159.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 272 | D | 25.1 | Very low | 32.1 | Very low | 145 Ų | 145 | 134.9 Ų | 134.9 | 78% | 0.775 | 79% | 0.789 | S | S | * | * | cis | -153.4 | 167.3 | -2.7 | -132.1 | -22.3 | 0 | 0 | 0 | 113.8 | ||||
| 273 | L | 32.9 | Very low | 32.6 | Very low | 145 Ų | 145 | 132.4 Ų | 132.4 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | 45.4 | 108.2 | 167.3 | -88 | 84.9 | 0 | 0 | 0 | 122.8 | ||||
| 274 | E | 27.7 | Very low | 32.7 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | 53 | 113.3 | 110.7 | -143.9 | 76.6 | 164.5 | 0 | 0 | 122.9 | |||||
| 275 | S | 26.9 | Very low | 33.7 | Very low | 103 Ų | 103 | 135.1 Ų | 135.1 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | 165 | 111 | 108.1 | -167.7 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 276 | N | 30.1 | Very low | 35.2 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | 36.5 | 99.5 | 139.8 | -59.4 | -75.4 | 0 | 0 | 0 | 123 | ||||
| 277 | R | 29.4 | Very low | 36.4 | Very low | 246 Ų | 246 | 129.6 Ų | 129.6 | 93% | 0.928 | 76% | 0.764 | S | S | * | * | 178 | 163.6 | 100 | -98.6 | -167.7 | 169.3 | 177.7 | -1.5 | 113.1 | |||||
| 278 | P | 37.2 | Very low | 37.9 | Very low | 112 Ų | 112 | 123.9 Ų | 123.9 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | trans | -104.9 | 161 | -153.9 | 39.5 | -37.7 | 0 | 0 | 0 | 117.7 | ||||
| 279 | N | 36.5 | Very low | 39.6 | Very low | 164 Ų | 164 | 124.2 Ų | 124.2 | 88% | 0.877 | 74% | 0.739 | S | S | * | * | trans | 40.2 | 102.3 | 153.5 | -81.5 | 7.4 | 0 | 0 | 0 | 120.1 | ||||
| 280 | S | 38.2 | Very low | 40.5 | Very low | 118 Ų | 118 | 122.3 Ų | 122.3 | 83% | 0.825 | 72% | 0.722 | S | S | * | * | trans | -157 | 100.4 | 136.4 | -171.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 281 | S | 34.8 | Very low | 42.2 | Very low | 124 Ų | 124 | 122 Ų | 122 | 87% | 0.867 | 71% | 0.711 | S | S | * | * | trans | -162.6 | 33.5 | 161.3 | -81.6 | 0 | 0 | 0 | 0 | 111.9 | A283 | S281-A283 PolarHBondContact O-N 3.43Š| ||
| 282 | G | 38.4 | Very low | 44 | Very low | 66 Ų | 66 | 124.6 Ų | 124.6 | 68% | 0.68 | 70% | 0.702 | S | S | * | * | trans | -72.8 | 107.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | M284 | G282-M284 PolarHBondContact O-N 2.88Š| ||
| 283 | A | 42.8 | Very low | 45.9 | Very low | 97 Ų | 97 | 119.9 Ų | 119.9 | 80% | 0.802 | 68% | 0.684 | S | S | * | * | trans | -69.4 | 82.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | S281 M285 | S281-A283 PolarHBondContact O-N 3.43Å; A283-M285 VanDerWaalsContact C-N 3.3Å; A283-M285 PolarHBondContact O-N 3.48Å | ||
| 284 | M | 42.2 | Very low | 47.2 | Very low | 183 Ų | 183 | 118.7 Ų | 118.7 | 90% | 0.901 | 67% | 0.673 | S | S | * | * | trans | -63.8 | 89 | 173.6 | -76.8 | -71.8 | 175.9 | 0 | 0 | 109.5 | G282 S286 | G282-M284 PolarHBondContact O-N 2.88Å; M284-S286 PolarHBondContact O-N 2.88Å | ||
| 285 | M | 49.5 | Very low | 49.1 | Very low | 118 Ų | 118 | 114.7 Ų | 114.7 | 58% | 0.581 | 66% | 0.656 | S | S | * | * | trans | -60.8 | 104 | 165.7 | -74 | -166.4 | 166.6 | 0 | 0 | 108 | A283 L289 L290 | A283-M285 VanDerWaalsContact C-N 3.3Å; A283-M285 PolarHBondContact O-N 3.48Å; M285-L289 HydrophobicContact CB-CD2 4.44Å; M285-L289 HydrophobicContact CE-CD2 4.46Å; M285-L289 HydrophobicContact CG-CD2 4.06Å; M285-L289 HydrophobicContact SD-CD2 4.46Å; M285-L290 HydrophobicContact CB-CD1 4.45Å; M285-L290 HydrophobicContact CB-CD2 4.14Å; M285-L290 HydrophobicContact CB-CG 4.04Å; M285-L290 HydrophobicContact SD-CD2 3.82Å | ||
| 286 | S | 60.5 | Low | 50.9 | Low | 71 Ų | 71 | 116.8 Ų | 116.8 | 50% | 0.497 | 65% | 0.652 | S | S | . | * | trans | -50.5 | 145.1 | 172.6 | 174.1 | 0 | 0 | 0 | 0 | 110.1 | M284 S288 L289 L290 | M284-S286 PolarHBondContact O-N 2.88Å; S286-S288 PolarHBondContact O-N 3.28Å; S286-S288 PolarHBondContact OG-N 3.46Å; S286-L289 WeakPolarHBondContact O-CA 3.34Å; S286-L289 WeakPolarHBondContact O-CB 3.4Å; S286-L289 PolarHBondContact O-N 2.93Å; S286-L290 PolarHBondContact O-N 3.5Å | ||
| 287 | N | 58.5 | Low | 52.4 | Low | 128 Ų | 128 | 116.5 Ų | 116.5 | 68% | 0.684 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -49.4 | -36.6 | 174.2 | -70.1 | -18.5 | 0 | 0 | 0 | 111.2 | L289 L290 T291 | N287-L289 VanDerWaalsContact C-N 3.32Å; N287-L289 PolarHBondContact O-N 3.25Å; N287-L290 PolarHBondContact O-N 3.4Å; N287-T291 WeakPolarHBondContact O-CB 3.47Å; N287-T291 PolarHBondContact O-N 3.27Å; N287-T291 PolarHBondContact O-OG1 3.07Å |
| 288 | S | 59.6 | Low | 54 | Low | 89 Ų | 89 | 109.2 Ų | 109.2 | 62% | 0.622 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -60.3 | -36.3 | 175.2 | -45.1 | 0 | 0 | 0 | 0 | 113.7 | S286 Y292 | S286-S288 PolarHBondContact O-N 3.28Å; S286-S288 PolarHBondContact OG-N 3.46Å; S288-Y292 VanDerWaalsContact O-CB 3.3Å; S288-Y292 WeakPolarHBondContact O-CB 3.48Å; S288-Y292 PolarHBondContact O-N 2.94Å |
| 289 | L | 62.3 | Low | 55.5 | Low | 96 Ų | 96 | 108 Ų | 108 | 50% | 0.503 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -75.3 | -39.7 | 179.3 | -157.9 | 81.7 | 0 | 0 | 0 | 111.3 | M285 S286 N287 Y292 A293 | M285-L289 HydrophobicContact CB-CD2 4.44Å; M285-L289 HydrophobicContact CE-CD2 4.46Å; M285-L289 HydrophobicContact CG-CD2 4.06Å; M285-L289 HydrophobicContact SD-CD2 4.46Å; S286-L289 WeakPolarHBondContact O-CA 3.34Å; S286-L289 WeakPolarHBondContact O-CB 3.4Å; S286-L289 PolarHBondContact O-N 2.93Å; N287-L289 VanDerWaalsContact C-N 3.32Å; N287-L289 PolarHBondContact O-N 3.25Å; L289-Y292 PolarHBondContact O-N 2.93Å; L289-A293 WeakPolarHBondContact O-CB 3.37Å; L289-A293 PolarHBondContact O-N 3.31Å |
| 290 | L | 62.7 | Low | 57.1 | Low | 89 Ų | 89 | 108 Ų | 108 | 47% | 0.466 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.1 | -42.8 | 173.1 | -67.6 | 172.2 | 0 | 0 | 0 | 111.3 | M285 S286 N287 A293 F294 | M285-L290 HydrophobicContact CB-CD1 4.45Å; M285-L290 HydrophobicContact CB-CD2 4.14Å; M285-L290 HydrophobicContact CB-CG 4.04Å; M285-L290 HydrophobicContact SD-CD2 3.82Å; S286-L290 PolarHBondContact O-N 3.5Å; N287-L290 PolarHBondContact O-N 3.4Å; L290-A293 PolarHBondContact O-N 2.99Å; L290-F294 WeakPolarHBondContact O-CB 3.29Å; L290-F294 PolarHBondContact O-N 3.44Å |
| 291 | T | 61.7 | Low | 58.5 | Low | 78 Ų | 78 | 106.7 Ų | 106.7 | 48% | 0.479 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63.5 | -41.7 | 174.1 | -60.8 | 0 | 0 | 0 | 0 | 111.5 | N287 F294 I295 | N287-T291 WeakPolarHBondContact O-CB 3.47Å; N287-T291 PolarHBondContact O-N 3.27Å; N287-T291 PolarHBondContact O-OG1 3.07Å; T291-F294 PolarHBondContact O-N 3.42Å; T291-I295 HydrophobicContact CG2-CD1 3.8Å; T291-I295 HydrophobicContact CG2-CG1 4.43Å; T291-I295 WeakPolarHBondContact O-CB 3.36Å; T291-I295 VanDerWaalsContact O-CG1 3.28Å; T291-I295 WeakPolarHBondContact O-CG1 3.32Å; T291-I295 PolarHBondContact O-N 2.91Å |
| 292 | Y | 65.9 | Low | 60.2 | Low | 147 Ų | 147 | 101.9 Ų | 101.9 | 58% | 0.576 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -63.4 | -42.8 | 175.2 | 179.2 | -106.3 | 0 | 0 | 0 | 112.5 | S288 L289 I295 K296 | S288-Y292 VanDerWaalsContact O-CB 3.3Å; S288-Y292 WeakPolarHBondContact O-CB 3.48Å; S288-Y292 PolarHBondContact O-N 2.94Å; L289-Y292 PolarHBondContact O-N 2.93Å; Y292-I295 PolarHBondContact O-N 3.24Å; Y292-K296 WeakPolarHBondContact O-CB 3.28Å; Y292-K296 PolarHBondContact O-N 3.34Å |
| 293 | A | 65.6 | Low | 61.7 | Low | 47 Ų | 47 | 101.3 Ų | 101.3 | 39% | 0.388 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.3 | -45.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L289 L290 I295 K296 D297 | L289-A293 WeakPolarHBondContact O-CB 3.37Å; L289-A293 PolarHBondContact O-N 3.31Å; L290-A293 PolarHBondContact O-N 2.99Å; A293-I295 PolarHBondContact O-N 2.96Å; A293-K296 PolarHBondContact O-N 3.41Å; A293-D297 PolarHBondContact O-N 3.43Å |
| 294 | F | 61.7 | Low | 63 | Low | 119 Ų | 119 | 100.1 Ų | 100.1 | 52% | 0.522 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.4 | -40.1 | 177.3 | -175.7 | -95.4 | 0 | 0 | 0 | 113 | L290 T291 H298 | L290-F294 WeakPolarHBondContact O-CB 3.29Å; L290-F294 PolarHBondContact O-N 3.44Å; T291-F294 PolarHBondContact O-N 3.42Å; F294-H298 AromaticContact CE2-CD2 3.77Å; F294-H298 AromaticContact CZ-CD2 3.98Å; F294-H298 PolarHBondContact O-N 2.82Å |
| 295 | I | 67.3 | Low | 64.4 | Low | 81 Ų | 81 | 96.8 Ų | 96.8 | 42% | 0.415 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 173.7 | -76.7 | 169.4 | 0 | 0 | 0 | 111 | T291 Y292 A293 H298 A302 | T291-I295 HydrophobicContact CG2-CD1 3.8Å; T291-I295 HydrophobicContact CG2-CG1 4.43Å; T291-I295 WeakPolarHBondContact O-CB 3.36Å; T291-I295 VanDerWaalsContact O-CG1 3.28Å; T291-I295 WeakPolarHBondContact O-CG1 3.32Å; T291-I295 PolarHBondContact O-N 2.91Å; Y292-I295 PolarHBondContact O-N 3.24Å; A293-I295 PolarHBondContact O-N 2.96Å; I295-H298 CarbonylContact O-C 3.55Å; I295-H298 VanDerWaalsContact O-C 3.32Å; I295-H298 PolarHBondContact O-N 2.92Å; I295-A302 HydrophobicContact CB-CB 4.32Å; I295-A302 HydrophobicContact CG1-CB 4.18Å; I295-A302 HydrophobicContact CG2-CB 3.82Å |
| 296 | K | 63.2 | Low | 65.8 | Low | 147 Ų | 147 | 98.3 Ų | 98.3 | 64% | 0.639 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.7 | -37.7 | 179.8 | -174.7 | 176.5 | 178 | -179.6 | 0 | 112.9 | Y292 A293 H298 | Y292-K296 WeakPolarHBondContact O-CB 3.28Å; Y292-K296 PolarHBondContact O-N 3.34Å; A293-K296 PolarHBondContact O-N 3.41Å; K296-H298 VanDerWaalsContact C-N 3.32Å |
| 297 | D | 63.5 | Low | 66.7 | Low | 126 Ų | 126 | 98.3 Ų | 98.3 | 67% | 0.674 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -75.1 | -20.5 | 176.9 | -78.7 | -2.3 | 0 | 0 | 0 | 112.9 | A293 | A293-D297 PolarHBondContact O-N 3.43Å |
| 298 | H | 61.5 | Low | 67.8 | Low | 93 Ų | 93 | 94.6 Ų | 94.6 | 43% | 0.431 | 50% | 0.502 | S | S | . | . | trans | -134.4 | 63.4 | -176.3 | -62.2 | -35.3 | 0 | 0 | 0 | 113.5 | F294 I295 K296 E300 M301 A302 | F294-H298 AromaticContact CE2-CD2 3.77Å; F294-H298 AromaticContact CZ-CD2 3.98Å; F294-H298 PolarHBondContact O-N 2.82Å; I295-H298 CarbonylContact O-C 3.55Å; I295-H298 VanDerWaalsContact O-C 3.32Å; I295-H298 PolarHBondContact O-N 2.92Å; K296-H298 VanDerWaalsContact C-N 3.32Å; H298-E300 VanDerWaalsContact C-N 3.31Å; H298-E300 PolarHBondContact O-N 2.92Å; H298-M301 HydrophobicContact CB-CB 4.04Å; H298-M301 HydrophobicContact CB-CG 4.22Å; H298-M301 PolarHBondContact O-N 3.17Å; H298-A302 PolarHBondContact O-N 3.38Å | ||
| 299 | P | 68.6 | Low | 69 | Low | 88 Ų | 88 | 94.2 Ų | 94.2 | 57% | 0.571 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.7 | -35.7 | -175.7 | 24.1 | -34.6 | 0 | 0 | 0 | 113.4 | M301 A302 A303 | P299-M301 VanDerWaalsContact C-N 3.34Å; P299-M301 PolarHBondContact O-N 3.23Å; P299-A302 PolarHBondContact O-N 2.95Å; P299-A303 WeakPolarHBondContact O-CB 3.47Å; P299-A303 PolarHBondContact O-N 3.48Å |
| 300 | E | 71 | Confident | 70.2 | Confident | 163 Ų | 163 | 92.7 Ų | 92.7 | 76% | 0.762 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.1 | -40.1 | 175.5 | -63.5 | 176.5 | -171.1 | 0 | 0 | 112.3 | H298 L304 | H298-E300 VanDerWaalsContact C-N 3.31Å; H298-E300 PolarHBondContact O-N 2.92Å; E300-L304 WeakPolarHBondContact O-CB 3.31Å; E300-L304 VanDerWaalsContact O-CG 3.28Å; E300-L304 WeakPolarHBondContact O-CG 3.1Å; E300-L304 PolarHBondContact O-N 2.8Å |
| 301 | M | 66.7 | Low | 71.1 | Confident | 90 Ų | 90 | 92.3 Ų | 92.3 | 44% | 0.443 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.9 | -37.3 | 177.7 | -66 | -67.3 | -72.5 | 0 | 0 | 111.3 | H298 P299 L304 L305 | H298-M301 HydrophobicContact CB-CB 4.04Å; H298-M301 HydrophobicContact CB-CG 4.22Å; H298-M301 PolarHBondContact O-N 3.17Å; P299-M301 VanDerWaalsContact C-N 3.34Å; P299-M301 PolarHBondContact O-N 3.23Å; M301-L304 PolarHBondContact O-N 2.98Å; M301-L304 HydrophobicContact SD-CD1 4.44Å; M301-L305 WeakPolarHBondContact O-CB 3.35Å; M301-L305 VanDerWaalsContact O-CG 3.31Å; M301-L305 WeakPolarHBondContact O-CG 3.38Å; M301-L305 PolarHBondContact O-N 2.85Å |
| 302 | A | 71.1 | Confident | 72.1 | Confident | 24 Ų | 24 | 92.2 Ų | 92.2 | 20% | 0.198 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -62.8 | -44 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I295 H298 P299 L305 F306 | I295-A302 HydrophobicContact CB-CB 4.32Å; I295-A302 HydrophobicContact CG1-CB 4.18Å; I295-A302 HydrophobicContact CG2-CB 3.82Å; H298-A302 PolarHBondContact O-N 3.38Å; P299-A302 PolarHBondContact O-N 2.95Å; A302-L305 PolarHBondContact O-N 3.12Å; A302-F306 WeakPolarHBondContact O-CB 3.28Å; A302-F306 PolarHBondContact O-N 3.26Å |
| 303 | A | 70.8 | Confident | 73 | Confident | 54 Ų | 54 | 87 Ų | 87 | 45% | 0.446 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.7 | -41.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | P299 F306 T307 | P299-A303 WeakPolarHBondContact O-CB 3.47Å; P299-A303 PolarHBondContact O-N 3.48Å; A303-F306 PolarHBondContact O-N 3.23Å; A303-T307 WeakPolarHBondContact O-CB 3.4Å; A303-T307 WeakPolarHBondContact O-CG2 3.37Å; A303-T307 PolarHBondContact O-N 3.41Å; A303-T307 PolarHBondContact O-OG1 2.82Å |
| 304 | L | 69.5 | Low | 74 | Confident | 72 Ų | 72 | 89.4 Ų | 89.4 | 38% | 0.377 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 175.1 | -75.9 | 168 | 0 | 0 | 0 | 112.6 | E300 M301 T307 S308 | E300-L304 WeakPolarHBondContact O-CB 3.31Å; E300-L304 VanDerWaalsContact O-CG 3.28Å; E300-L304 WeakPolarHBondContact O-CG 3.1Å; E300-L304 PolarHBondContact O-N 2.8Å; M301-L304 PolarHBondContact O-N 2.98Å; M301-L304 HydrophobicContact SD-CD1 4.44Å; L304-T307 WeakPolarHBondContact CA-OG1 3.23Å; L304-T307 PolarHBondContact O-OG1 3.33Å; L304-S308 VanDerWaalsContact O-CB 3.27Å; L304-S308 WeakPolarHBondContact O-CB 3.24Å; L304-S308 PolarHBondContact O-N 3.18Å; L304-S308 PolarHBondContact O-OG 3.36Å |
| 305 | L | 71.2 | Confident | 75 | Confident | 112 Ų | 112 | 88.7 Ų | 88.7 | 59% | 0.586 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -71 | -40.4 | 176.6 | -72.2 | 170.7 | 0 | 0 | 0 | 112.1 | M301 A302 S308 S309 | M301-L305 WeakPolarHBondContact O-CB 3.35Å; M301-L305 VanDerWaalsContact O-CG 3.31Å; M301-L305 WeakPolarHBondContact O-CG 3.38Å; M301-L305 PolarHBondContact O-N 2.85Å; A302-L305 PolarHBondContact O-N 3.12Å; L305-S308 WeakPolarHBondContact CA-OG 3.4Å; L305-S308 PolarHBondContact O-OG 3.36Å; L305-S309 VanDerWaalsContact O-CB 3.22Å; L305-S309 WeakPolarHBondContact O-CB 3.46Å; L305-S309 PolarHBondContact O-N 3.08Å |
| 306 | F | 78.5 | Confident | 75.6 | Confident | 150 Ų | 150 | 91.3 Ų | 91.3 | 66% | 0.658 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.8 | -52.6 | 174 | -179.5 | -100.4 | 0 | 0 | 0 | 111.5 | A302 A303 S308 S309 V310 | A302-F306 WeakPolarHBondContact O-CB 3.28Å; A302-F306 PolarHBondContact O-N 3.26Å; A303-F306 PolarHBondContact O-N 3.23Å; F306-S308 PolarHBondContact O-N 2.81Å; F306-S309 WeakPolarHBondContact O-CB 3.28Å; F306-S309 PolarHBondContact O-N 3.38Å; F306-V310 HydrophobicContact CD1-CG2 4.38Å; F306-V310 HydrophobicContact CE1-CG2 4.01Å; F306-V310 HydrophobicContact CE2-CG2 4.25Å; F306-V310 HydrophobicContact CZ-CG2 3.94Å; F306-V310 WeakPolarHBondContact O-CG2 3.49Å; F306-V310 PolarHBondContact O-N 3.18Å |
| 307 | T | 80.9 | Confident | 76.5 | Confident | 71 Ų | 71 | 87.8 Ų | 87.8 | 44% | 0.436 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 179.9 | 49.8 | 0 | 0 | 0 | 0 | 112.5 | A303 L304 V310 C311 | A303-T307 WeakPolarHBondContact O-CB 3.4Å; A303-T307 WeakPolarHBondContact O-CG2 3.37Å; A303-T307 PolarHBondContact O-N 3.41Å; A303-T307 PolarHBondContact O-OG1 2.82Å; L304-T307 WeakPolarHBondContact CA-OG1 3.23Å; L304-T307 PolarHBondContact O-OG1 3.33Å; T307-V310 PolarHBondContact O-N 2.92Å; T307-C311 WeakPolarHBondContact O-CB 3.37Å; T307-C311 PolarHBondContact O-N 2.6Å; T307-C311 PolarHBondContact O-SG 3.33Å |
| 308 | S | 81.4 | Confident | 77.4 | Confident | 50 Ų | 50 | 87.3 Ų | 87.3 | 35% | 0.35 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.5 | -37.2 | 175.4 | 55.1 | 0 | 0 | 0 | 0 | 113.1 | L304 L305 F306 C311 V312 | L304-S308 VanDerWaalsContact O-CB 3.27Å; L304-S308 WeakPolarHBondContact O-CB 3.24Å; L304-S308 PolarHBondContact O-N 3.18Å; L304-S308 PolarHBondContact O-OG 3.36Å; L305-S308 WeakPolarHBondContact CA-OG 3.4Å; L305-S308 PolarHBondContact O-OG 3.36Å; F306-S308 PolarHBondContact O-N 2.81Å; S308-C311 PolarHBondContact O-N 2.93Å; S308-V312 WeakPolarHBondContact O-CB 3.22Å; S308-V312 VanDerWaalsContact O-CG2 3.29Å; S308-V312 WeakPolarHBondContact O-CG2 3.34Å; S308-V312 PolarHBondContact O-N 3.4Å |
| 309 | S | 83.1 | Confident | 78.1 | Confident | 81 Ų | 81 | 87.2 Ų | 87.2 | 57% | 0.566 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.1 | -48.1 | 171.9 | -175 | 0 | 0 | 0 | 0 | 111.7 | L305 F306 C311 V312 G313 | L305-S309 VanDerWaalsContact O-CB 3.22Å; L305-S309 WeakPolarHBondContact O-CB 3.46Å; L305-S309 PolarHBondContact O-N 3.08Å; F306-S309 WeakPolarHBondContact O-CB 3.28Å; F306-S309 PolarHBondContact O-N 3.38Å; S309-C311 PolarHBondContact O-N 3.45Å; S309-V312 PolarHBondContact O-N 3.35Å; S309-G313 PolarHBondContact O-N 3.07Å |
| 310 | V | 88 | Confident | 78.5 | Confident | 65 Ų | 65 | 85.4 Ų | 85.4 | 39% | 0.394 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61 | -44.7 | 176 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | F306 T307 V312 G313 L314 | F306-V310 HydrophobicContact CD1-CG2 4.38Å; F306-V310 HydrophobicContact CE1-CG2 4.01Å; F306-V310 HydrophobicContact CE2-CG2 4.25Å; F306-V310 HydrophobicContact CZ-CG2 3.94Å; F306-V310 WeakPolarHBondContact O-CG2 3.49Å; F306-V310 PolarHBondContact O-N 3.18Å; T307-V310 PolarHBondContact O-N 2.92Å; V310-V312 PolarHBondContact O-N 3.34Å; V310-G313 PolarHBondContact O-N 3.06Å; V310-L314 HydrophobicContact CG1-CD1 3.9Å; V310-L314 HydrophobicContact CG1-CG 4.36Å; V310-L314 WeakPolarHBondContact O-CB 3.35Å; V310-L314 WeakPolarHBondContact O-CG 3.31Å; V310-L314 PolarHBondContact O-N 3.29Å |
| 311 | C | 82.5 | Confident | 79 | Confident | 81 Ų | 81 | 82.2 Ų | 82.2 | 55% | 0.547 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.6 | -41.1 | 177.5 | -67.9 | 0 | 0 | 0 | 0 | 112.5 | T307 S308 S309 L315 | T307-C311 WeakPolarHBondContact O-CB 3.37Å; T307-C311 PolarHBondContact O-N 2.6Å; T307-C311 PolarHBondContact O-SG 3.33Å; S308-C311 PolarHBondContact O-N 2.93Å; S309-C311 PolarHBondContact O-N 3.45Å; C311-L315 WeakPolarHBondContact O-CB 3.3Å; C311-L315 PolarHBondContact O-N 2.84Å |
| 312 | V | 82.1 | Confident | 79.5 | Confident | 76 Ų | 76 | 80.6 Ų | 80.6 | 46% | 0.461 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.9 | -41.8 | 175.6 | 168.4 | 0 | 0 | 0 | 0 | 110.9 | S308 S309 V310 L315 F316 | S308-V312 WeakPolarHBondContact O-CB 3.22Å; S308-V312 VanDerWaalsContact O-CG2 3.29Å; S308-V312 WeakPolarHBondContact O-CG2 3.34Å; S308-V312 PolarHBondContact O-N 3.4Å; S309-V312 PolarHBondContact O-N 3.35Å; V310-V312 PolarHBondContact O-N 3.34Å; V312-L315 PolarHBondContact O-N 3.12Å; V312-F316 HydrophobicContact CG1-CD2 3.74Å; V312-F316 HydrophobicContact CG1-CE2 3.6Å; V312-F316 VanDerWaalsContact O-CD2 3.27Å; V312-F316 WeakPolarHBondContact O-CD2 3.23Å; V312-F316 PolarHBondContact O-N 2.86Å |
| 313 | G | 84.8 | Confident | 79.8 | Confident | 36 Ų | 36 | 83.7 Ų | 83.7 | 37% | 0.371 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60 | -48 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | S309 V310 L315 F316 T317 | S309-G313 PolarHBondContact O-N 3.07Å; V310-G313 PolarHBondContact O-N 3.06Å; G313-L315 VanDerWaalsContact C-N 3.31Å; G313-L315 PolarHBondContact O-N 3.41Å; G313-F316 PolarHBondContact O-N 2.88Å; G313-T317 PolarHBondContact O-N 3.32Å |
| 314 | L | 86.2 | Confident | 80 | Confident | 98 Ų | 98 | 89.6 Ų | 89.6 | 51% | 0.513 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -37.1 | 175.1 | -71 | 171.6 | 0 | 0 | 0 | 112.3 | V310 T317 L318 | V310-L314 HydrophobicContact CG1-CD1 3.9Å; V310-L314 HydrophobicContact CG1-CG 4.36Å; V310-L314 WeakPolarHBondContact O-CB 3.35Å; V310-L314 WeakPolarHBondContact O-CG 3.31Å; V310-L314 PolarHBondContact O-N 3.29Å; L314-T317 WeakPolarHBondContact CA-OG1 3.35Å; L314-T317 PolarHBondContact O-N 2.83Å; L314-T317 PolarHBondContact O-OG1 3.22Å; L314-L318 WeakPolarHBondContact O-CB 3.31Å; L314-L318 VanDerWaalsContact O-CG 3.23Å; L314-L318 WeakPolarHBondContact O-CG 3.27Å; L314-L318 PolarHBondContact O-N 3.39Å |
| 315 | L | 83.3 | Confident | 80.3 | Confident | 104 Ų | 104 | 91 Ų | 91 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 175.7 | -164 | 152.3 | 0 | 0 | 0 | 111.1 | C311 V312 G313 L319 | C311-L315 WeakPolarHBondContact O-CB 3.3Å; C311-L315 PolarHBondContact O-N 2.84Å; V312-L315 PolarHBondContact O-N 3.12Å; G313-L315 VanDerWaalsContact C-N 3.31Å; G313-L315 PolarHBondContact O-N 3.41Å; L315-L319 HydrophobicContact CD2-CD1 3.66Å; L315-L319 HydrophobicContact CD2-CG 4.22Å; L315-L319 WeakPolarHBondContact O-CB 3.49Å; L315-L319 VanDerWaalsContact O-CG 3.31Å; L315-L319 WeakPolarHBondContact O-CG 3.47Å; L315-L319 PolarHBondContact O-N 2.83Å |
| 316 | F | 79.2 | Confident | 80.4 | Confident | 136 Ų | 136 | 90.5 Ų | 90.5 | 60% | 0.596 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.7 | -38.9 | 172.9 | -82.1 | -63.9 | 0 | 0 | 0 | 113.5 | V312 G313 L319 A320 | V312-F316 HydrophobicContact CG1-CD2 3.74Å; V312-F316 HydrophobicContact CG1-CE2 3.6Å; V312-F316 VanDerWaalsContact O-CD2 3.27Å; V312-F316 WeakPolarHBondContact O-CD2 3.23Å; V312-F316 PolarHBondContact O-N 2.86Å; G313-F316 PolarHBondContact O-N 2.88Å; F316-L319 PolarHBondContact O-N 3.08Å; F316-A320 WeakPolarHBondContact O-CB 2.99Å; F316-A320 PolarHBondContact O-N 3.2Å |
| 317 | T | 83.1 | Confident | 79.4 | Confident | 74 Ų | 74 | 86.8 Ų | 86.8 | 45% | 0.454 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.9 | -39.4 | 176.1 | 58.4 | 0 | 0 | 0 | 0 | 111.7 | G313 L314 L319 A320 L321 | G313-T317 PolarHBondContact O-N 3.32Å; L314-T317 WeakPolarHBondContact CA-OG1 3.35Å; L314-T317 PolarHBondContact O-N 2.83Å; L314-T317 PolarHBondContact O-OG1 3.22Å; T317-L319 PolarHBondContact O-N 2.92Å; T317-A320 PolarHBondContact O-N 2.85Å; T317-L321 WeakPolarHBondContact O-CB 3.43Å; T317-L321 VanDerWaalsContact O-CG 3.27Å; T317-L321 WeakPolarHBondContact O-CG 3.15Å; T317-L321 PolarHBondContact O-N 3.26Å |
| 318 | L | 82.4 | Confident | 78.4 | Confident | 115 Ų | 115 | 93 Ų | 93 | 60% | 0.602 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.2 | -38.3 | 173.5 | -72.4 | 169.8 | 0 | 0 | 0 | 112.5 | L314 L321 S322 | L314-L318 WeakPolarHBondContact O-CB 3.31Å; L314-L318 VanDerWaalsContact O-CG 3.23Å; L314-L318 WeakPolarHBondContact O-CG 3.27Å; L314-L318 PolarHBondContact O-N 3.39Å; L318-L321 PolarHBondContact O-N 2.62Å; L318-S322 WeakPolarHBondContact O-CB 3.29Å; L318-S322 PolarHBondContact O-N 2.8Å; L318-S322 PolarHBondContact O-OG 2.63Å |
| 319 | L | 76.4 | Confident | 77 | Confident | 92 Ų | 92 | 92.9 Ų | 92.9 | 48% | 0.482 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.7 | -40.7 | 171.6 | -73 | 175.8 | 0 | 0 | 0 | 112.4 | L315 F316 T317 L321 S322 V323 | L315-L319 HydrophobicContact CD2-CD1 3.66Å; L315-L319 HydrophobicContact CD2-CG 4.22Å; L315-L319 WeakPolarHBondContact O-CB 3.49Å; L315-L319 VanDerWaalsContact O-CG 3.31Å; L315-L319 WeakPolarHBondContact O-CG 3.47Å; L315-L319 PolarHBondContact O-N 2.83Å; F316-L319 PolarHBondContact O-N 3.08Å; T317-L319 PolarHBondContact O-N 2.92Å; L319-L321 VanDerWaalsContact C-N 3.33Å; L319-L321 PolarHBondContact O-N 2.85Å; L319-S322 PolarHBondContact O-N 2.89Å; L319-S322 PolarHBondContact O-OG 3.37Å; L319-S322 VanDerWaalsContact O-OG 3.08Å; L319-V323 WeakPolarHBondContact O-CB 3.08Å; L319-V323 VanDerWaalsContact O-CG2 3.32Å; L319-V323 WeakPolarHBondContact O-CG2 3.43Å; L319-V323 PolarHBondContact O-N 3.2Å |
| 320 | A | 77 | Confident | 75.4 | Confident | 50 Ų | 50 | 97.6 Ų | 97.6 | 41% | 0.413 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.3 | -37.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F316 T317 R324 | F316-A320 WeakPolarHBondContact O-CB 2.99Å; F316-A320 PolarHBondContact O-N 3.2Å; T317-A320 PolarHBondContact O-N 2.85Å; A320-R324 WeakPolarHBondContact O-CB 3.33Å; A320-R324 VanDerWaalsContact O-CG 3.25Å; A320-R324 WeakPolarHBondContact O-CG 3.35Å; A320-R324 PolarHBondContact O-N 3.18Å |
| 321 | L | 80.6 | Confident | 73.4 | Confident | 95 Ų | 95 | 103.8 Ų | 103.8 | 50% | 0.497 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.5 | -44.6 | 175.1 | -73 | 169.3 | 0 | 0 | 0 | 111.8 | T317 L318 L319 V323 R324 V325 | T317-L321 WeakPolarHBondContact O-CB 3.43Å; T317-L321 VanDerWaalsContact O-CG 3.27Å; T317-L321 WeakPolarHBondContact O-CG 3.15Å; T317-L321 PolarHBondContact O-N 3.26Å; L318-L321 PolarHBondContact O-N 2.62Å; L319-L321 VanDerWaalsContact C-N 3.33Å; L319-L321 PolarHBondContact O-N 2.85Å; L321-V323 VanDerWaalsContact C-N 3.33Å; L321-V323 PolarHBondContact O-N 2.84Å; L321-R324 PolarHBondContact O-N 3.13Å; L321-R324 VanDerWaalsContact O-N 3.13Å; L321-V325 WeakPolarHBondContact O-CG2 3.09Å; L321-V325 PolarHBondContact O-N 3.27Å |
| 322 | S | 78.3 | Confident | 71.6 | Confident | 56 Ų | 56 | 107 Ų | 107 | 39% | 0.392 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.2 | -37.9 | 177.9 | 71.4 | 0 | 0 | 0 | 0 | 112.1 | L318 L319 T326 | L318-S322 WeakPolarHBondContact O-CB 3.29Å; L318-S322 PolarHBondContact O-N 2.8Å; L318-S322 PolarHBondContact O-OG 2.63Å; L319-S322 PolarHBondContact O-N 2.89Å; L319-S322 PolarHBondContact O-OG 3.37Å; L319-S322 VanDerWaalsContact O-OG 3.08Å; S322-T326 VanDerWaalsContact O-CB 3.28Å; S322-T326 WeakPolarHBondContact O-CB 3.18Å; S322-T326 PolarHBondContact O-N 3.4Å; S322-T326 PolarHBondContact O-OG1 2.99Å |
| 323 | V | 77.1 | Confident | 69.7 | Low | 89 Ų | 89 | 112.3 Ų | 112.3 | 54% | 0.539 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.1 | -46.1 | 169.7 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | L319 L321 V325 T326 C327 | L319-V323 WeakPolarHBondContact O-CB 3.08Å; L319-V323 VanDerWaalsContact O-CG2 3.32Å; L319-V323 WeakPolarHBondContact O-CG2 3.43Å; L319-V323 PolarHBondContact O-N 3.2Å; L321-V323 VanDerWaalsContact C-N 3.33Å; L321-V323 PolarHBondContact O-N 2.84Å; V323-V325 PolarHBondContact O-N 2.93Å; V323-T326 PolarHBondContact O-N 2.93Å; V323-C327 VanDerWaalsContact O-CB 3.28Å; V323-C327 WeakPolarHBondContact O-CB 3.22Å; V323-C327 PolarHBondContact O-N 3.04Å; V323-C327 PolarHBondContact O-SG 3.16Å; V323-C327 VanDerWaalsContact O-SG 3.34Å |
| 324 | R | 74.2 | Confident | 67.8 | Low | 179 Ų | 179 | 115.5 Ų | 115.5 | 68% | 0.675 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.3 | -43.1 | 177.5 | -78.5 | 174.4 | 179.2 | -151.4 | 0.5 | 112.7 | A320 L321 R328 | A320-R324 WeakPolarHBondContact O-CB 3.33Å; A320-R324 VanDerWaalsContact O-CG 3.25Å; A320-R324 WeakPolarHBondContact O-CG 3.35Å; A320-R324 PolarHBondContact O-N 3.18Å; L321-R324 PolarHBondContact O-N 3.13Å; L321-R324 VanDerWaalsContact O-N 3.13Å; R324-R328 WeakPolarHBondContact O-CB 3.43Å; R324-R328 WeakPolarHBondContact O-CG 3.34Å; R324-R328 PolarHBondContact O-N 3.5Å |
| 325 | V | 76.9 | Confident | 65.9 | Low | 102 Ų | 102 | 118.8 Ų | 118.8 | 62% | 0.618 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.3 | -46.8 | 177.2 | 171.5 | 0 | 0 | 0 | 0 | 110.6 | L321 V323 C327 R328 G329 | L321-V325 WeakPolarHBondContact O-CG2 3.09Å; L321-V325 PolarHBondContact O-N 3.27Å; V323-V325 PolarHBondContact O-N 2.93Å; V325-C327 VanDerWaalsContact C-N 3.35Å; V325-C327 PolarHBondContact O-N 2.91Å; V325-R328 PolarHBondContact O-N 2.88Å; V325-G329 PolarHBondContact O-N 3.21Å |
| 326 | T | 73.1 | Confident | 64.2 | Low | 100 Ų | 100 | 119.1 Ų | 119.1 | 61% | 0.613 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.6 | -40.9 | 178.7 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | S322 V323 R330 | S322-T326 VanDerWaalsContact O-CB 3.28Å; S322-T326 WeakPolarHBondContact O-CB 3.18Å; S322-T326 PolarHBondContact O-N 3.4Å; S322-T326 PolarHBondContact O-OG1 2.99Å; V323-T326 PolarHBondContact O-N 2.93Å; T326-R330 PolarHBondContact O-N 2.96Å |
| 327 | C | 56.8 | Low | 62.6 | Low | 73 Ų | 73 | 119.9 Ų | 119.9 | 49% | 0.493 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -72.5 | -34.7 | 177 | -71.4 | 0 | 0 | 0 | 0 | 113.5 | V323 V325 R330 R331 | V323-C327 VanDerWaalsContact O-CB 3.28Å; V323-C327 WeakPolarHBondContact O-CB 3.22Å; V323-C327 PolarHBondContact O-N 3.04Å; V323-C327 PolarHBondContact O-SG 3.16Å; V323-C327 VanDerWaalsContact O-SG 3.34Å; V325-C327 VanDerWaalsContact C-N 3.35Å; V325-C327 PolarHBondContact O-N 2.91Å; C327-R330 PolarHBondContact O-N 3.43Å; C327-R331 PolarHBondContact O-N 2.86Å; C327-R331 VanDerWaalsContact O-N 3.08Å |
| 328 | R | 60.4 | Low | 60.5 | Low | 201 Ų | 201 | 119.9 Ų | 119.9 | 76% | 0.758 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -66.1 | -44.3 | 170.6 | -83.8 | -177.6 | 164.2 | 178.5 | -6.8 | 111.5 | R324 V325 R330 R331 H332 | R324-R328 WeakPolarHBondContact O-CB 3.43Å; R324-R328 WeakPolarHBondContact O-CG 3.34Å; R324-R328 PolarHBondContact O-N 3.5Å; V325-R328 PolarHBondContact O-N 2.88Å; R328-R330 PolarHBondContact O-N 3.27Å; R328-R331 PolarHBondContact O-N 3.25Å; R328-H332 PolarHBondContact O-N 2.95Å |
| 329 | G | 51.6 | Low | 58.2 | Low | 47 Ų | 47 | 119 Ų | 119 | 49% | 0.485 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -60.2 | -30.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | V325 R333 | V325-G329 PolarHBondContact O-N 3.21Å; G329-R333 PolarHBondContact O-N 2.94Å |
| 330 | R | 50.3 | Low | 56.1 | Low | 181 Ų | 181 | 124.4 Ų | 124.4 | 68% | 0.683 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -70.2 | -51.6 | 172.2 | -148.1 | 172.4 | -168.7 | 169.2 | 3.5 | 111.9 | T326 C327 R328 H332 R333 D334 | T326-R330 PolarHBondContact O-N 2.96Å; C327-R330 PolarHBondContact O-N 3.43Å; R328-R330 PolarHBondContact O-N 3.27Å; R330-H332 VanDerWaalsContact C-N 3.29Å; R330-H332 PolarHBondContact O-N 3.07Å; R330-R333 WeakPolarHBondContact O-CA 3.45Å; R330-R333 PolarHBondContact O-N 3.38Å; R330-D334 PolarHBondContact O-N 2.94Å |
| 331 | R | 45 | Very low | 54 | Low | 194 Ų | 194 | 127.2 Ų | 127.2 | 73% | 0.732 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -55.5 | -42.1 | 175.6 | -77.6 | -169.9 | 175.2 | -169.2 | -1.5 | 112.7 | C327 R328 R333 D334 H335 | C327-R331 PolarHBondContact O-N 2.86Å; C327-R331 VanDerWaalsContact O-N 3.08Å; R328-R331 PolarHBondContact O-N 3.25Å; R331-R333 PolarHBondContact O-N 3.06Å; R331-D334 PolarHBondContact O-N 2.84Å; R331-H335 PolarHBondContact O-CD2 3.24Å; R331-H335 VanDerWaalsContact O-CD2 3.27Å; R331-H335 PolarHBondContact O-N 2.8Å |
| 332 | H | 43.9 | Very low | 51.6 | Low | 149 Ų | 149 | 130.7 Ų | 130.7 | 69% | 0.69 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -67.2 | -21.3 | 178.7 | -154 | -48.2 | 0 | 0 | 0 | 113 | R328 R330 T336 | R328-H332 PolarHBondContact O-N 2.95Å; R330-H332 VanDerWaalsContact C-N 3.29Å; R330-H332 PolarHBondContact O-N 3.07Å; H332-T336 PolarHBondContact O-OG1 2.95Å |
| 333 | R | 42.5 | Very low | 49.1 | Very low | 187 Ų | 187 | 131.4 Ų | 131.4 | 71% | 0.706 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -88.1 | -28.6 | 175.7 | -151.4 | 171.9 | 86.7 | 162.1 | 8.6 | 113.2 | G329 R330 R331 | G329-R333 PolarHBondContact O-N 2.94Å; R330-R333 WeakPolarHBondContact O-CA 3.45Å; R330-R333 PolarHBondContact O-N 3.38Å; R331-R333 PolarHBondContact O-N 3.06Å |
| 334 | D | 46.5 | Very low | 46.8 | Very low | 104 Ų | 104 | 134.9 Ų | 134.9 | 56% | 0.556 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -73.2 | -32.1 | 176.5 | -61 | -32.1 | 0 | 0 | 0 | 111.5 | R330 R331 T336 L337 | R330-D334 PolarHBondContact O-N 2.94Å; R331-D334 PolarHBondContact O-N 2.84Å; D334-T336 VanDerWaalsContact C-N 3.25Å; D334-T336 PolarHBondContact O-N 3.17Å; D334-L337 PolarHBondContact O-N 3.24Å |
| 335 | H | 46.2 | Very low | 44.8 | Very low | 167 Ų | 167 | 132.4 Ų | 132.4 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -15.5 | 174.9 | -82.2 | -69.8 | 0 | 0 | 0 | 115 | R331 | R331-H335 PolarHBondContact O-CD2 3.24Å; R331-H335 VanDerWaalsContact O-CD2 3.27Å; R331-H335 PolarHBondContact O-N 2.8Å |
| 336 | T | 46.5 | Very low | 42.6 | Very low | 110 Ų | 110 | 133.7 Ų | 133.7 | 68% | 0.675 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -6 | 178.1 | -34.7 | 0 | 0 | 0 | 0 | 113.2 | H332 D334 | H332-T336 PolarHBondContact O-OG1 2.95Å; D334-T336 VanDerWaalsContact C-N 3.25Å; D334-T336 PolarHBondContact O-N 3.17Å |
| 337 | L | 45.4 | Very low | 40.4 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -131.7 | 51 | -172.3 | -67.9 | 174.2 | 0 | 0 | 0 | 112.5 | D334 | D334-L337 PolarHBondContact O-N 3.24Š|
| 338 | G | 39.9 | Very low | 38.9 | Very low | 74 Ų | 74 | 139.2 Ų | 139.2 | 76% | 0.763 | 76% | 0.757 | S | S | * | * | trans | -145.7 | 31.4 | -171 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 339 | A | 34.6 | Very low | 37.3 | Very low | 97 Ų | 97 | 134.4 Ų | 134.4 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | trans | -136 | 76.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 340 | K | 32.1 | Very low | 36.3 | Very low | 206 Ų | 206 | 140.6 Ų | 140.6 | 90% | 0.896 | 77% | 0.767 | S | S | * | * | trans | 174.8 | 109.7 | 142.1 | -101.4 | 165.3 | -179.3 | 175.8 | 0 | 113.3 | ||||
| 341 | S | 32.3 | Very low | 35.2 | Very low | 108 Ų | 108 | 139.2 Ų | 139.2 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | -176.2 | 130.4 | 108.9 | 43.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 342 | N | 30.1 | Very low | 34.6 | Very low | 168 Ų | 168 | 136.2 Ų | 136.2 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | trans | 45.4 | 118.9 | 150.2 | -50.9 | -4.1 | 0 | 0 | 0 | 120.7 | ||||
| 343 | G | 26.7 | Very low | 33.9 | Very low | 72 Ų | 72 | 136.6 Ų | 136.6 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | trans | 167 | 35.4 | 162.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 344 | L | 27.5 | Very low | 33.5 | Very low | 161 Ų | 161 | 136.2 Ų | 136.2 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | 59.2 | 121.1 | 170 | -85.4 | 69.9 | 0 | 0 | 0 | 119.5 | ||||
| 345 | T | 31.6 | Very low | 32.8 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | trans | 50.8 | 122 | 150.7 | 55.6 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 346 | P | 32 | Very low | 32 | Very low | 130 Ų | 130 | 139.1 Ų | 139.1 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | -123.1 | 158.5 | 106.6 | 36 | -34.4 | 0 | 0 | 0 | 113.3 | |||||
| 347 | N | 26.8 | Very low | 31.4 | Very low | 171 Ų | 171 | 142.6 Ų | 142.6 | 91% | 0.914 | 80% | 0.804 | S | S | * | * | trans | -80.2 | 152.3 | 170.7 | -161.8 | 21.4 | 0 | 0 | 0 | 110.2 | ||||
| 348 | C | 25.1 | Very low | 30.8 | Very low | 118 Ų | 118 | 140 Ų | 140 | 80% | 0.797 | 81% | 0.805 | S | S | * | * | trans | -130.8 | 132.4 | -169.2 | -170.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 349 | S | 26.1 | Very low | 30.3 | Very low | 100 Ų | 100 | 145 Ų | 145 | 70% | 0.699 | 81% | 0.809 | S | S | * | * | trans | -131.9 | 124.6 | 155.8 | 51.4 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 350 | K | 30.8 | Very low | 30.3 | Very low | 177 Ų | 177 | 147.3 Ų | 147.3 | 77% | 0.77 | 81% | 0.807 | S | S | * | * | 54.2 | 137.4 | 93.4 | -65.9 | -165.4 | 172.9 | -161.3 | 0 | 113.7 | |||||
| 351 | Q | 27.8 | Very low | 30.4 | Very low | 151 Ų | 151 | 144 Ų | 144 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | cis | -141.8 | 173.4 | 21.6 | -156.8 | 153.3 | -67.1 | 0 | 0 | 113 | ||||
| 352 | D | 32.3 | Very low | 30.8 | Very low | 131 Ų | 131 | 145.7 Ų | 145.7 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | -65.8 | 172.2 | 164.5 | -34.1 | -93.3 | 0 | 0 | 0 | 111.2 | ||||
| 353 | D | 29.6 | Very low | 31.2 | Very low | 157 Ų | 157 | 144.9 Ų | 144.9 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | trans | -172.5 | 155.7 | 145.8 | -85.9 | -27.9 | 0 | 0 | 0 | 109.1 | ||||
| 354 | E | 33.6 | Very low | 31.8 | Very low | 180 Ų | 180 | 147.9 Ų | 147.9 | 84% | 0.841 | 80% | 0.795 | S | S | * | * | trans | -116.2 | -158.4 | -170.2 | -59.2 | -171.5 | 124.5 | 0 | 0 | 112.6 | ||||
| 355 | E | 31.6 | Very low | 32.2 | Very low | 176 Ų | 176 | 148.1 Ų | 148.1 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | 71.5 | 154.1 | 165.2 | -62.7 | 166.6 | 172.4 | 0 | 0 | 116 | ||||
| 356 | D | 29.9 | Very low | 32.5 | Very low | 155 Ų | 155 | 150.8 Ų | 150.8 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | cis | -127.5 | 162.7 | 13 | -84 | -63.7 | 0 | 0 | 0 | 113.9 | ||||
| 357 | E | 33.8 | Very low | 32.6 | Very low | 183 Ų | 183 | 152.4 Ų | 152.4 | 86% | 0.855 | 79% | 0.792 | S | S | * | * | trans | -95.4 | 168.8 | 169.7 | -72.4 | -74.6 | -173.3 | 0 | 0 | 112.6 | ||||
| 358 | A | 32.5 | Very low | 32.8 | Very low | 98 Ų | 98 | 149.5 Ų | 149.5 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -155.9 | 121.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 359 | E | 30.5 | Very low | 33.1 | Very low | 180 Ų | 180 | 152.2 Ų | 152.2 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | trans | -79.5 | 145.8 | -174 | -61.4 | 164.1 | 155.1 | 0 | 0 | 113.7 | ||||
| 360 | D | 32.9 | Very low | 33.5 | Very low | 144 Ų | 144 | 151.6 Ų | 151.6 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | 37 | 162.9 | 116.1 | -46.7 | -36.3 | 0 | 0 | 0 | 120.9 | |||||
| 361 | D | 35.5 | Very low | 33.7 | Very low | 138 Ų | 138 | 147.8 Ų | 147.8 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | cis | -139.4 | 161.2 | 15.6 | -75.5 | -58.9 | 0 | 0 | 0 | 112.8 | ||||
| 362 | D | 40.3 | Very low | 34.3 | Very low | 143 Ų | 143 | 148.9 Ų | 148.9 | 77% | 0.765 | 78% | 0.782 | S | S | * | * | trans | 29.3 | 164.2 | 136.8 | -54.9 | -16.2 | 0 | 0 | 0 | 123 | ||||
| 363 | D | 38.5 | Very low | 34.5 | Very low | 150 Ų | 150 | 150.7 Ų | 150.7 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | cis | -151.9 | 174.2 | 21.2 | -102.5 | -30.9 | 0 | 0 | 0 | 107.7 | ||||
| 364 | D | 38.8 | Very low | 35 | Very low | 135 Ų | 135 | 147.6 Ų | 147.6 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | cis | -168.8 | -170 | -26.3 | -170.7 | 19.1 | 0 | 0 | 0 | 108.4 | ||||
| 365 | E | 36.6 | Very low | 35.7 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | 75.6 | 103.7 | 171.1 | -61.4 | -168.5 | -170.4 | 0 | 0 | 117.6 | ||||
| 366 | E | 37.7 | Very low | 36.4 | Very low | 184 Ų | 184 | 140.4 Ų | 140.4 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | 72.3 | 135.2 | 85.7 | -59.7 | -111.2 | 125.4 | 0 | 0 | 112.9 | |||||
| 367 | E | 33.4 | Very low | 37.1 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 77% | 0.766 | 76% | 0.764 | S | S | * | * | cis | -135.5 | -177.3 | 18.3 | -145.8 | -159.8 | -139.2 | 0 | 0 | 107.8 | ||||
| 368 | T | 31 | Very low | 37.6 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | cis | -154.6 | 167.3 | 11.1 | -28 | 0 | 0 | 0 | 0 | 112 | ||||
| 369 | E | 32.6 | Very low | 38.2 | Very low | 174 Ų | 174 | 145.7 Ų | 145.7 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | trans | -63.6 | 173.7 | 165 | -68.8 | -164.5 | 114 | 0 | 0 | 116.5 | ||||
| 370 | S | 33.1 | Very low | 38.8 | Very low | 87 Ų | 87 | 139.4 Ų | 139.4 | 61% | 0.608 | 74% | 0.744 | S | S | * | * | cis | -168.4 | -176.5 | -29.5 | 69.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 371 | S | 35.9 | Very low | 39.4 | Very low | 97 Ų | 97 | 138 Ų | 138 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | trans | 56.1 | 98.3 | 152.9 | -52.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 372 | L | 39.5 | Very low | 39.7 | Very low | 174 Ų | 174 | 138.5 Ų | 138.5 | 91% | 0.911 | 73% | 0.731 | S | S | * | * | 53.8 | 102.8 | 82.6 | -64 | 176.9 | 0 | 0 | 0 | 116.3 | |||||
| 373 | L | 38 | Very low | 39.6 | Very low | 170 Ų | 170 | 133.4 Ų | 133.4 | 89% | 0.89 | 71% | 0.713 | S | S | * | * | trans | -135.4 | 156 | 154.2 | -104.7 | 171.8 | 0 | 0 | 0 | 111 | ||||
| 374 | S | 40.1 | Very low | 39.7 | Very low | 91 Ų | 91 | 136.5 Ų | 136.5 | 64% | 0.636 | 71% | 0.713 | S | S | * | * | trans | -79.1 | 152.2 | -158.9 | -171.3 | 0 | 0 | 0 | 0 | 115.1 | A376 | S374-A376 PolarHBondContact O-N 3.04Å; S374-A376 VanDerWaalsContact O-N 3.1Å | ||
| 375 | T | 47 | Very low | 40.1 | Very low | 130 Ų | 130 | 136.6 Ų | 136.6 | 80% | 0.798 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 6 | -174.8 | 50 | 0 | 0 | 0 | 0 | 115.4 | ||
| 376 | A | 47.6 | Very low | 40.7 | Very low | 75 Ų | 75 | 135.7 Ų | 135.7 | 62% | 0.62 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -45.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | S374 R378 | S374-A376 PolarHBondContact O-N 3.04Å; S374-A376 VanDerWaalsContact O-N 3.1Å; A376-R378 VanDerWaalsContact C-N 3.28Å; A376-R378 PolarHBondContact O-N 2.97Å |
| 377 | E | 44 | Very low | 41.2 | Very low | 152 Ų | 152 | 131.7 Ų | 131.7 | 71% | 0.71 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -69.4 | -23.6 | -172.9 | -73.3 | 178.4 | 100.8 | 0 | 0 | 113.7 | K379 G380 | E377-K379 PolarHBondContact O-N 2.98Å; E377-G380 PolarHBondContact O-N 2.82Å |
| 378 | R | 45.2 | Very low | 42.1 | Very low | 207 Ų | 207 | 127.7 Ų | 127.7 | 78% | 0.781 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -65.5 | -6.9 | -175.6 | -152.2 | 171.9 | -132.2 | 162.2 | 6.3 | 114.4 | A376 | A376-R378 VanDerWaalsContact C-N 3.28Å; A376-R378 PolarHBondContact O-N 2.97Å |
| 379 | K | 44.1 | Very low | 43 | Very low | 188 Ų | 188 | 130.7 Ų | 130.7 | 82% | 0.817 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -93.3 | -21.8 | 173.1 | -89.3 | -173 | 172.9 | -178 | 0 | 115.1 | E377 | E377-K379 PolarHBondContact O-N 2.98Š|
| 380 | G | 42.6 | Very low | 44.2 | Very low | 48 Ų | 48 | 127.1 Ų | 127.1 | 50% | 0.495 | 67% | 0.67 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.9 | -50 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | E377 K382 G383 | E377-G380 PolarHBondContact O-N 2.82Å; G380-K382 PolarHBondContact O-N 2.85Å; G380-G383 PolarHBondContact O-N 3.45Å; G380-G383 VanDerWaalsContact O-N 3.11Å |
| 381 | I | 45.3 | Very low | 45.5 | Very low | 114 Ų | 114 | 126.1 Ų | 126.1 | 59% | 0.585 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -58.3 | -45.4 | -171.1 | -59.5 | 171.1 | 0 | 0 | 0 | 112.1 | G383 W384 E385 | I381-G383 VanDerWaalsContact C-N 3.26Å; I381-G383 PolarHBondContact O-N 2.98Å; I381-W384 PolarHBondContact O-N 3.01Å; I381-W384 VanDerWaalsContact O-N 3.14Å; I381-E385 PolarHBondContact O-N 3.17Å |
| 382 | K | 42.3 | Very low | 46.8 | Very low | 150 Ų | 150 | 127.9 Ų | 127.9 | 65% | 0.652 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -63.1 | -28 | -179.9 | -74.8 | -162.3 | 168.4 | -160.7 | 0 | 114.4 | G380 W384 E386 | G380-K382 PolarHBondContact O-N 2.85Å; K382-W384 VanDerWaalsContact C-N 3.3Å; K382-E386 PolarHBondContact O-N 2.79Å |
| 383 | G | 37.7 | Very low | 47.9 | Very low | 36 Ų | 36 | 122.1 Ų | 122.1 | 37% | 0.371 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -72.5 | -24.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G380 I381 V387 | G380-G383 PolarHBondContact O-N 3.45Å; G380-G383 VanDerWaalsContact O-N 3.11Å; I381-G383 VanDerWaalsContact C-N 3.26Å; I381-G383 PolarHBondContact O-N 2.98Å; G383-V387 VanDerWaalsContact O-CG2 3.26Å; G383-V387 WeakPolarHBondContact O-CG2 3.31Å |
| 384 | W | 41.8 | Very low | 49.2 | Very low | 214 Ų | 214 | 116.9 Ų | 116.9 | 81% | 0.811 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -84.5 | -39.9 | -179.8 | -77.6 | 35.2 | 0 | 0 | 0 | 111.8 | I381 K382 E386 V387 T388 | I381-W384 PolarHBondContact O-N 3.01Å; I381-W384 VanDerWaalsContact O-N 3.14Å; K382-W384 VanDerWaalsContact C-N 3.3Å; W384-E386 VanDerWaalsContact C-N 3.32Å; W384-E386 PolarHBondContact O-N 2.8Å; W384-V387 PolarHBondContact O-N 3.34Å; W384-T388 WeakPolarHBondContact O-CG2 3.48Å; W384-T388 PolarHBondContact O-N 2.83Å; W384-T388 PolarHBondContact O-OG1 3.48Å |
| 385 | E | 45.8 | Very low | 50.6 | Low | 137 Ų | 137 | 117.7 Ų | 117.7 | 64% | 0.64 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -61 | -36.6 | 174.1 | -80.7 | -177.9 | 125.6 | 0 | 0 | 113.2 | I381 T388 Y389 | I381-E385 PolarHBondContact O-N 3.17Å; E385-T388 PolarHBondContact O-OG1 2.82Å; E385-Y389 PolarHBondContact O-N 2.86Å |
| 386 | E | 49.1 | Very low | 51.7 | Low | 148 Ų | 148 | 115.9 Ų | 115.9 | 69% | 0.692 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -74.2 | -36 | 179.9 | -168.4 | 165 | -159.8 | 0 | 0 | 111.9 | K382 W384 V390 | K382-E386 PolarHBondContact O-N 2.79Å; W384-E386 VanDerWaalsContact C-N 3.32Å; W384-E386 PolarHBondContact O-N 2.8Å; E386-V390 WeakPolarHBondContact O-CG2 3.29Å; E386-V390 PolarHBondContact O-N 2.7Å |
| 387 | V | 48.7 | Very low | 52.6 | Low | 100 Ų | 100 | 114.5 Ų | 114.5 | 61% | 0.606 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -71.2 | -42.8 | 177.7 | 169.9 | 0 | 0 | 0 | 0 | 112 | G383 W384 V390 S391 | G383-V387 VanDerWaalsContact O-CG2 3.26Å; G383-V387 WeakPolarHBondContact O-CG2 3.31Å; W384-V387 PolarHBondContact O-N 3.34Å; V387-V390 PolarHBondContact O-N 3.03Å; V387-S391 PolarHBondContact O-N 3.37Å; V387-S391 VanDerWaalsContact O-N 3.1Å; V387-S391 PolarHBondContact O-OG 3.47Å |
| 388 | T | 52.5 | Low | 53.9 | Low | 79 Ų | 79 | 111.9 Ų | 111.9 | 49% | 0.485 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -63.3 | -44 | 179.4 | 50.9 | 0 | 0 | 0 | 0 | 111.8 | W384 E385 V390 S391 E392 | W384-T388 WeakPolarHBondContact O-CG2 3.48Å; W384-T388 PolarHBondContact O-N 2.83Å; W384-T388 PolarHBondContact O-OG1 3.48Å; E385-T388 PolarHBondContact O-OG1 2.82Å; T388-V390 VanDerWaalsContact C-N 3.32Å; T388-V390 PolarHBondContact O-N 3.43Å; T388-S391 WeakPolarHBondContact CA-OG 3.36Å; T388-S391 PolarHBondContact O-N 3.08Å; T388-S391 VanDerWaalsContact O-N 3.14Å; T388-S391 PolarHBondContact O-OG 3.13Å; T388-E392 PolarHBondContact O-N 2.99Å |
| 389 | Y | 51 | Low | 54.9 | Low | 174 Ų | 174 | 107.3 Ų | 107.3 | 68% | 0.682 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -61.5 | -38.3 | 178.9 | -165.3 | -99.8 | 0 | 0 | 0 | 112.8 | E385 A393 | E385-Y389 PolarHBondContact O-N 2.86Å; Y389-A393 WeakPolarHBondContact O-CB 3.27Å; Y389-A393 PolarHBondContact O-N 3.48Å; Y389-A393 VanDerWaalsContact O-N 3.09Å |
| 390 | V | 56.7 | Low | 56.1 | Low | 98 Ų | 98 | 102.2 Ų | 102.2 | 59% | 0.594 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.1 | -39.9 | 175 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | E386 V387 T388 A394 | E386-V390 WeakPolarHBondContact O-CG2 3.29Å; E386-V390 PolarHBondContact O-N 2.7Å; V387-V390 PolarHBondContact O-N 3.03Å; T388-V390 VanDerWaalsContact C-N 3.32Å; T388-V390 PolarHBondContact O-N 3.43Å; V390-A394 WeakPolarHBondContact O-CB 3.4Å; V390-A394 PolarHBondContact O-N 2.98Å |
| 391 | S | 60.8 | Low | 57.4 | Low | 66 Ų | 66 | 106.9 Ų | 106.9 | 46% | 0.462 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.3 | -43.1 | 176 | 50.5 | 0 | 0 | 0 | 0 | 113.4 | V387 T388 A393 A394 E395 | V387-S391 PolarHBondContact O-N 3.37Å; V387-S391 VanDerWaalsContact O-N 3.1Å; V387-S391 PolarHBondContact O-OG 3.47Å; T388-S391 WeakPolarHBondContact CA-OG 3.36Å; T388-S391 PolarHBondContact O-N 3.08Å; T388-S391 VanDerWaalsContact O-N 3.14Å; T388-S391 PolarHBondContact O-OG 3.13Å; S391-A393 PolarHBondContact O-N 2.88Å; S391-A394 PolarHBondContact O-N 3.46Å; S391-E395 PolarHBondContact O-N 3.43Å |
| 392 | E | 63.6 | Low | 58.6 | Low | 135 Ų | 135 | 107.9 Ų | 107.9 | 63% | 0.631 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.1 | -38.6 | 177.1 | -70.4 | -170.3 | 162.6 | 0 | 0 | 112.2 | T388 L396 | T388-E392 PolarHBondContact O-N 2.99Å; E392-L396 VanDerWaalsContact O-CB 3.28Å; E392-L396 WeakPolarHBondContact O-CB 3.43Å; E392-L396 PolarHBondContact O-N 2.83Å |
| 393 | A | 62.5 | Low | 59.9 | Low | 52 Ų | 52 | 108.4 Ų | 108.4 | 43% | 0.43 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.7 | -39.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y389 S391 A397 | Y389-A393 WeakPolarHBondContact O-CB 3.27Å; Y389-A393 PolarHBondContact O-N 3.48Å; Y389-A393 VanDerWaalsContact O-N 3.09Å; S391-A393 PolarHBondContact O-N 2.88Å; A393-A397 PolarHBondContact O-N 3.21Å; A393-A397 VanDerWaalsContact O-N 3.11Å |
| 394 | A | 64.3 | Low | 61.5 | Low | 61 Ų | 61 | 111.1 Ų | 111.1 | 50% | 0.504 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.1 | -44.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V390 S391 L396 A397 E398 | V390-A394 WeakPolarHBondContact O-CB 3.4Å; V390-A394 PolarHBondContact O-N 2.98Å; S391-A394 PolarHBondContact O-N 3.46Å; A394-L396 VanDerWaalsContact C-N 3.31Å; A394-L396 PolarHBondContact O-N 2.86Å; A394-A397 WeakPolarHBondContact O-CB 3.25Å; A394-A397 PolarHBondContact O-N 3.49Å; A394-A397 VanDerWaalsContact O-N 3.14Å; A394-E398 PolarHBondContact O-N 3.32Å |
| 395 | E | 69.9 | Low | 62.9 | Low | 107 Ų | 107 | 106.4 Ų | 106.4 | 50% | 0.5 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -67.2 | -33.6 | 178.6 | -148.5 | -149.4 | 152.8 | 0 | 0 | 111.7 | S391 R399 | S391-E395 PolarHBondContact O-N 3.43Å; E395-R399 VanDerWaalsContact O-CB 3.24Å; E395-R399 WeakPolarHBondContact O-CB 3.41Å; E395-R399 PolarHBondContact O-N 3.23Å; E395-R399 VanDerWaalsContact O-N 3.12Å; E395-R399 IonicContact OE1-CZ 2.74Å; E395-R399 IonicContact OE1-NH2 3.56Å; E395-R399 PolarHBondContact OE1-NH2 2.91Å; E395-R399 IonicContact OE2-NH2 2.75Å; E395-R399 PolarHBondContact OE2-NH2 2.03Å |
| 396 | L | 70.1 | Confident | 64.4 | Low | 93 Ų | 93 | 103.6 Ų | 103.6 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | 171.4 | -174.8 | 66.1 | 0 | 0 | 0 | 111.9 | E392 A394 R399 I400 | E392-L396 VanDerWaalsContact O-CB 3.28Å; E392-L396 WeakPolarHBondContact O-CB 3.43Å; E392-L396 PolarHBondContact O-N 2.83Å; A394-L396 VanDerWaalsContact C-N 3.31Å; A394-L396 PolarHBondContact O-N 2.86Å; L396-R399 PolarHBondContact O-N 3.5Å; L396-I400 HydrophobicContact CG-CD1 4.13Å; L396-I400 VanDerWaalsContact O-CG1 3.31Å; L396-I400 WeakPolarHBondContact O-CG1 3.32Å; L396-I400 PolarHBondContact O-N 3.3Å; L396-I400 VanDerWaalsContact O-N 3.08Å |
| 397 | A | 67.7 | Low | 65.5 | Low | 46 Ų | 46 | 101.5 Ų | 101.5 | 38% | 0.38 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.7 | -48.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | A393 A394 R399 I400 E401 | A393-A397 PolarHBondContact O-N 3.21Å; A393-A397 VanDerWaalsContact O-N 3.11Å; A394-A397 WeakPolarHBondContact O-CB 3.25Å; A394-A397 PolarHBondContact O-N 3.49Å; A394-A397 VanDerWaalsContact O-N 3.14Å; A397-R399 PolarHBondContact O-N 2.02Å; A397-I400 WeakPolarHBondContact O-CA 3.46Å; A397-I400 WeakPolarHBondContact O-CB 3.26Å; A397-I400 PolarHBondContact O-N 2.89Å; A397-E401 PolarHBondContact O-N 3.29Å |
| 398 | E | 71.2 | Confident | 66.4 | Low | 97 Ų | 97 | 103.1 Ų | 103.1 | 45% | 0.453 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -58.2 | -38.1 | 175.1 | -167.1 | -164.3 | 142.9 | 0 | 0 | 111.2 | A394 I400 E401 R402 | A394-E398 PolarHBondContact O-N 3.32Å; E398-I400 PolarHBondContact O-N 3.45Å; E398-E401 PolarHBondContact O-N 2.99Å; E398-R402 VanDerWaalsContact O-CB 3.29Å; E398-R402 WeakPolarHBondContact O-CB 3.49Å; E398-R402 PolarHBondContact O-N 2.84Å; E398-R402 IonicContact OE1-CZ 2.79Å; E398-R402 IonicContact OE1-NH1 3.12Å; E398-R402 PolarHBondContact OE1-NH1 3.28Å; E398-R402 IonicContact OE1-NH2 3.91Å; E398-R402 PolarHBondContact OE1-NH2 2.87Å |
| 399 | R | 65.3 | Low | 67.3 | Low | 111 Ų | 111 | 104.4 Ų | 104.4 | 42% | 0.419 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -73.8 | -11.9 | 178.1 | -151.5 | -176.1 | -61.9 | 138 | -12.3 | 113.5 | E395 L396 A397 R403 | E395-R399 VanDerWaalsContact O-CB 3.24Å; E395-R399 WeakPolarHBondContact O-CB 3.41Å; E395-R399 PolarHBondContact O-N 3.23Å; E395-R399 VanDerWaalsContact O-N 3.12Å; E395-R399 IonicContact OE1-CZ 2.74Å; E395-R399 IonicContact OE1-NH2 3.56Å; E395-R399 PolarHBondContact OE1-NH2 2.91Å; E395-R399 IonicContact OE2-NH2 2.75Å; E395-R399 PolarHBondContact OE2-NH2 2.03Å; L396-R399 PolarHBondContact O-N 3.5Å; A397-R399 PolarHBondContact O-N 2.02Å; R399-R403 WeakPolarHBondContact O-CD 3.01Å; R399-R403 WeakPolarHBondContact O-CG 3.43Å |
| 400 | I | 69 | Low | 68.2 | Low | 81 Ų | 81 | 101.4 Ų | 101.4 | 42% | 0.415 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -91 | -50.1 | 169.3 | -71 | 163.8 | 0 | 0 | 0 | 110 | L396 A397 E398 R402 R403 D404 | L396-I400 HydrophobicContact CG-CD1 4.13Å; L396-I400 VanDerWaalsContact O-CG1 3.31Å; L396-I400 WeakPolarHBondContact O-CG1 3.32Å; L396-I400 PolarHBondContact O-N 3.3Å; L396-I400 VanDerWaalsContact O-N 3.08Å; A397-I400 WeakPolarHBondContact O-CA 3.46Å; A397-I400 WeakPolarHBondContact O-CB 3.26Å; A397-I400 PolarHBondContact O-N 2.89Å; E398-I400 PolarHBondContact O-N 3.45Å; I400-R402 VanDerWaalsContact C-N 3.31Å; I400-R402 PolarHBondContact O-N 2.94Å; I400-R403 WeakPolarHBondContact O-CA 3.42Å; I400-R403 WeakPolarHBondContact O-CB 3.02Å; I400-R403 PolarHBondContact O-N 3.3Å; I400-D404 PolarHBondContact O-N 2.89Å |
| 401 | E | 69.9 | Low | 68.9 | Low | 146 Ų | 146 | 104.2 Ų | 104.2 | 68% | 0.682 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.7 | -41.8 | 178.6 | -68.3 | -173.9 | 157 | 0 | 0 | 112 | A397 E398 R403 D404 M405 | A397-E401 PolarHBondContact O-N 3.29Å; E398-E401 PolarHBondContact O-N 2.99Å; E401-R403 PolarHBondContact O-N 3.38Å; E401-D404 PolarHBondContact O-N 3.01Å; E401-M405 WeakPolarHBondContact O-CB 3.29Å; E401-M405 PolarHBondContact O-N 3.41Å |
| 402 | R | 70.5 | Confident | 69.1 | Low | 135 Ų | 135 | 106.3 Ų | 106.3 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.4 | -25.5 | 174.1 | -173.5 | 175 | -75.9 | 118.9 | 2 | 112.9 | E398 I400 I406 | E398-R402 VanDerWaalsContact O-CB 3.29Å; E398-R402 WeakPolarHBondContact O-CB 3.49Å; E398-R402 PolarHBondContact O-N 2.84Å; E398-R402 IonicContact OE1-CZ 2.79Å; E398-R402 IonicContact OE1-NH1 3.12Å; E398-R402 PolarHBondContact OE1-NH1 3.28Å; E398-R402 IonicContact OE1-NH2 3.91Å; E398-R402 PolarHBondContact OE1-NH2 2.87Å; I400-R402 VanDerWaalsContact C-N 3.31Å; I400-R402 PolarHBondContact O-N 2.94Å; R402-I406 HydrophobicContact CG-CD1 4.33Å; R402-I406 VanDerWaalsContact O-CD1 3.28Å; R402-I406 WeakPolarHBondContact O-CD1 3.48Å; R402-I406 VanDerWaalsContact O-CG1 3.23Å; R402-I406 WeakPolarHBondContact O-CG1 3.46Å; R402-I406 PolarHBondContact O-N 3.23Å |
| 403 | R | 70.6 | Confident | 69.2 | Low | 160 Ų | 160 | 103.6 Ų | 103.6 | 60% | 0.604 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -78.5 | -46.2 | 174.2 | -76.6 | 173.7 | 171.9 | 167.5 | -2.1 | 111.9 | R399 I400 E401 M405 I406 I407 | R399-R403 WeakPolarHBondContact O-CD 3.01Å; R399-R403 WeakPolarHBondContact O-CG 3.43Å; I400-R403 WeakPolarHBondContact O-CA 3.42Å; I400-R403 WeakPolarHBondContact O-CB 3.02Å; I400-R403 PolarHBondContact O-N 3.3Å; E401-R403 PolarHBondContact O-N 3.38Å; R403-M405 VanDerWaalsContact C-N 3.3Å; R403-M405 PolarHBondContact O-N 2.91Å; R403-I406 PolarHBondContact O-N 2.91Å; R403-I407 VanDerWaalsContact O-CG1 3.31Å; R403-I407 WeakPolarHBondContact O-CG1 3.02Å; R403-I407 PolarHBondContact O-N 3.42Å |
| 404 | D | 70.8 | Confident | 69.1 | Low | 94 Ų | 94 | 104.3 Ų | 104.3 | 50% | 0.503 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.9 | -35.6 | -178.9 | -71.3 | -14.6 | 0 | 0 | 0 | 111.4 | I400 E401 I407 Q408 | I400-D404 PolarHBondContact O-N 2.89Å; E401-D404 PolarHBondContact O-N 3.01Å; D404-I407 PolarHBondContact O-N 3.4Å; D404-Q408 PolarHBondContact O-N 2.76Å |
| 405 | M | 72 | Confident | 68.7 | Low | 115 Ų | 115 | 108.9 Ų | 108.9 | 57% | 0.567 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.1 | -47.5 | 170.6 | -174.5 | 177 | 69.8 | 0 | 0 | 112.3 | E401 R403 I407 Q408 E409 | E401-M405 WeakPolarHBondContact O-CB 3.29Å; E401-M405 PolarHBondContact O-N 3.41Å; R403-M405 VanDerWaalsContact C-N 3.3Å; R403-M405 PolarHBondContact O-N 2.91Å; M405-I407 VanDerWaalsContact C-N 3.31Å; M405-I407 PolarHBondContact O-N 3.4Å; M405-Q408 PolarHBondContact O-N 3.35Å; M405-E409 PolarHBondContact O-N 3.27Å |
| 406 | I | 76.1 | Confident | 68 | Low | 78 Ų | 78 | 110 Ų | 110 | 40% | 0.4 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.5 | -37.4 | 176.6 | -70.9 | 168.4 | 0 | 0 | 0 | 111 | R402 R403 E409 I410 | R402-I406 HydrophobicContact CG-CD1 4.33Å; R402-I406 VanDerWaalsContact O-CD1 3.28Å; R402-I406 WeakPolarHBondContact O-CD1 3.48Å; R402-I406 VanDerWaalsContact O-CG1 3.23Å; R402-I406 WeakPolarHBondContact O-CG1 3.46Å; R402-I406 PolarHBondContact O-N 3.23Å; R403-I406 PolarHBondContact O-N 2.91Å; I406-E409 PolarHBondContact O-N 3.34Å; I406-I410 HydrophobicContact CG2-CD1 3.79Å; I406-I410 HydrophobicContact CG2-CG1 4.4Å; I406-I410 WeakPolarHBondContact O-CB 3.36Å; I406-I410 VanDerWaalsContact O-CG1 3.25Å; I406-I410 WeakPolarHBondContact O-CG1 3.28Å; I406-I410 PolarHBondContact O-N 2.81Å |
| 407 | I | 72.2 | Confident | 67.3 | Low | 104 Ų | 104 | 112.6 Ų | 112.6 | 53% | 0.533 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.2 | -40.5 | 176.6 | -69.6 | 164.7 | 0 | 0 | 0 | 111 | R403 D404 M405 W411 | R403-I407 VanDerWaalsContact O-CG1 3.31Å; R403-I407 WeakPolarHBondContact O-CG1 3.02Å; R403-I407 PolarHBondContact O-N 3.42Å; D404-I407 PolarHBondContact O-N 3.4Å; M405-I407 VanDerWaalsContact C-N 3.31Å; M405-I407 PolarHBondContact O-N 3.4Å; I407-W411 WeakPolarHBondContact O-CB 3.28Å; I407-W411 PolarHBondContact O-N 3.37Å |
| 408 | Q | 66.9 | Low | 66.6 | Low | 133 Ų | 133 | 113.4 Ų | 113.4 | 62% | 0.621 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -65.7 | -39.9 | 173.3 | -75 | -171.2 | -30.6 | 0 | 0 | 112.5 | D404 M405 W411 M412 | D404-Q408 PolarHBondContact O-N 2.76Å; M405-Q408 PolarHBondContact O-N 3.35Å; Q408-W411 PolarHBondContact O-N 3.29Å; Q408-M412 WeakPolarHBondContact O-CG 3.39Å; Q408-M412 PolarHBondContact O-N 3.29Å |
| 409 | E | 71.9 | Confident | 65.7 | Low | 107 Ų | 107 | 113.6 Ų | 113.6 | 50% | 0.5 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.3 | -43.4 | 176.7 | -175.4 | 171.6 | -157 | 0 | 0 | 111.9 | M405 I406 W411 N413 | M405-E409 PolarHBondContact O-N 3.27Å; I406-E409 PolarHBondContact O-N 3.34Å; E409-W411 VanDerWaalsContact C-N 3.32Å; E409-W411 PolarHBondContact O-N 3.05Å; E409-N413 WeakPolarHBondContact CG-ND2 3.44Å; E409-N413 WeakPolarHBondContact O-CB 3.49Å; E409-N413 PolarHBondContact O-N 3.27Å; E409-N413 PolarHBondContact O-ND2 2.72Å |
| 410 | I | 70.8 | Confident | 64.9 | Low | 111 Ų | 111 | 113.6 Ų | 113.6 | 57% | 0.569 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -58.6 | -44.3 | 171.1 | -70.4 | 165.8 | 0 | 0 | 0 | 110.6 | I406 N413 S414 | I406-I410 HydrophobicContact CG2-CD1 3.79Å; I406-I410 HydrophobicContact CG2-CG1 4.4Å; I406-I410 WeakPolarHBondContact O-CB 3.36Å; I406-I410 VanDerWaalsContact O-CG1 3.25Å; I406-I410 WeakPolarHBondContact O-CG1 3.28Å; I406-I410 PolarHBondContact O-N 2.81Å; I410-N413 PolarHBondContact O-N 3.28Å; I410-S414 VanDerWaalsContact O-CB 3.32Å; I410-S414 WeakPolarHBondContact O-CB 3.5Å; I410-S414 PolarHBondContact O-N 2.95Å |
| 411 | W | 71.2 | Confident | 63.7 | Low | 156 Ų | 156 | 119.8 Ų | 119.8 | 59% | 0.591 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.3 | -46.2 | -178.8 | -168.7 | 76.5 | 0 | 0 | 0 | 112.5 | I407 Q408 E409 S414 Y415 | I407-W411 WeakPolarHBondContact O-CB 3.28Å; I407-W411 PolarHBondContact O-N 3.37Å; Q408-W411 PolarHBondContact O-N 3.29Å; E409-W411 VanDerWaalsContact C-N 3.32Å; E409-W411 PolarHBondContact O-N 3.05Å; W411-S414 PolarHBondContact O-N 3.07Å; W411-S414 PolarHBondContact O-OG 3.24Å; W411-Y415 HydrophobicContact CD2-CD2 4.28Å; W411-Y415 HydrophobicContact CD2-CE2 4.44Å; W411-Y415 AromaticContact CE2-CD2 3.95Å; W411-Y415 AromaticContact CE2-CE2 3.66Å; W411-Y415 HydrophobicContact CH2-CD2 4.29Å; W411-Y415 AromaticContact CH2-CE2 3.93Å; W411-Y415 HydrophobicContact CH2-CE2 3.93Å; W411-Y415 AromaticContact CZ2-CD2 3.98Å; W411-Y415 HydrophobicContact CZ2-CD2 3.98Å; W411-Y415 AromaticContact CZ2-CE2 3.39Å; W411-Y415 HydrophobicContact CZ2-CE2 3.39Å; W411-Y415 PolarHBondContact O-N 3.18Å; W411-Y415 VanDerWaalsContact O-N 3.13Å |
| 412 | M | 64.9 | Low | 63.4 | Low | 111 Ų | 111 | 118.5 Ų | 118.5 | 55% | 0.547 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -63.2 | -44.5 | 176.3 | -70.8 | -167.9 | -63 | 0 | 0 | 112 | Q408 S414 Y415 L416 | Q408-M412 WeakPolarHBondContact O-CG 3.39Å; Q408-M412 PolarHBondContact O-N 3.29Å; M412-S414 VanDerWaalsContact C-N 3.3Å; M412-S414 PolarHBondContact O-N 3.08Å; M412-Y415 WeakPolarHBondContact O-CB 3.36Å; M412-Y415 PolarHBondContact O-N 3.2Å; M412-L416 PolarHBondContact O-N 3.28Å; M412-L416 VanDerWaalsContact O-N 3.14Å |
| 413 | N | 65.6 | Low | 63 | Low | 78 Ų | 78 | 117.6 Ų | 117.6 | 42% | 0.417 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67.2 | -31 | 177.8 | -72.3 | -40.3 | 0 | 0 | 0 | 112.5 | E409 I410 Y415 L416 N417 | E409-N413 WeakPolarHBondContact CG-ND2 3.44Å; E409-N413 WeakPolarHBondContact O-CB 3.49Å; E409-N413 PolarHBondContact O-N 3.27Å; E409-N413 PolarHBondContact O-ND2 2.72Å; I410-N413 PolarHBondContact O-N 3.28Å; N413-Y415 VanDerWaalsContact C-N 3.33Å; N413-L416 PolarHBondContact O-N 3.1Å; N413-N417 PolarHBondContact O-N 3.41Å; N413-N417 VanDerWaalsContact O-N 3.15Å |
| 414 | S | 60.9 | Low | 62.6 | Low | 66 Ų | 66 | 115.3 Ų | 115.3 | 46% | 0.462 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -67 | -33.4 | 172.9 | 78.5 | 0 | 0 | 0 | 0 | 112.7 | I410 W411 M412 G418 | I410-S414 VanDerWaalsContact O-CB 3.32Å; I410-S414 WeakPolarHBondContact O-CB 3.5Å; I410-S414 PolarHBondContact O-N 2.95Å; W411-S414 PolarHBondContact O-N 3.07Å; W411-S414 PolarHBondContact O-OG 3.24Å; M412-S414 VanDerWaalsContact C-N 3.3Å; M412-S414 PolarHBondContact O-N 3.08Å; S414-G418 PolarHBondContact O-N 3.33Å; S414-G418 VanDerWaalsContact O-N 3.11Å |
| 415 | Y | 55.5 | Low | 62.1 | Low | 157 Ų | 157 | 116.5 Ų | 116.5 | 62% | 0.616 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69.3 | -39.6 | 174.3 | -106 | -90.5 | 0 | 0 | 0 | 112.4 | W411 M412 N413 G418 | W411-Y415 HydrophobicContact CD2-CD2 4.28Å; W411-Y415 HydrophobicContact CD2-CE2 4.44Å; W411-Y415 AromaticContact CE2-CD2 3.95Å; W411-Y415 AromaticContact CE2-CE2 3.66Å; W411-Y415 HydrophobicContact CH2-CD2 4.29Å; W411-Y415 AromaticContact CH2-CE2 3.93Å; W411-Y415 HydrophobicContact CH2-CE2 3.93Å; W411-Y415 AromaticContact CZ2-CD2 3.98Å; W411-Y415 HydrophobicContact CZ2-CD2 3.98Å; W411-Y415 AromaticContact CZ2-CE2 3.39Å; W411-Y415 HydrophobicContact CZ2-CE2 3.39Å; W411-Y415 PolarHBondContact O-N 3.18Å; W411-Y415 VanDerWaalsContact O-N 3.13Å; M412-Y415 WeakPolarHBondContact O-CB 3.36Å; M412-Y415 PolarHBondContact O-N 3.2Å; N413-Y415 VanDerWaalsContact C-N 3.33Å; Y415-G418 PolarHBondContact O-N 3.24Å |
| 416 | L | 54.6 | Low | 61.5 | Low | 130 Ų | 130 | 116.6 Ų | 116.6 | 68% | 0.681 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -71.5 | -34.9 | -179.1 | -68.7 | 171.1 | 0 | 0 | 0 | 113.1 | M412 N413 | M412-L416 PolarHBondContact O-N 3.28Å; M412-L416 VanDerWaalsContact O-N 3.14Å; N413-L416 PolarHBondContact O-N 3.1Å |
| 417 | N | 54.9 | Low | 60.5 | Low | 149 Ų | 149 | 119.2 Ų | 119.2 | 80% | 0.797 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -85 | -9.4 | 174.7 | -75 | -18.1 | 0 | 0 | 0 | 113.7 | N413 | N413-N417 PolarHBondContact O-N 3.41Å; N413-N417 VanDerWaalsContact O-N 3.15Å |
| 418 | G | 54.1 | Low | 59.7 | Low | 62 Ų | 62 | 120.3 Ų | 120.3 | 64% | 0.639 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -82.4 | -13.6 | -177 | 0 | 0 | 0 | 0 | 0 | 115.4 | S414 Y415 | S414-G418 PolarHBondContact O-N 3.33Å; S414-G418 VanDerWaalsContact O-N 3.11Å; Y415-G418 PolarHBondContact O-N 3.24Å |
| 419 | S | 52.1 | Low | 59.2 | Low | 101 Ų | 101 | 119.3 Ų | 119.3 | 71% | 0.706 | 67% | 0.672 | S | S | * | * | trans | -107.5 | 59.1 | -172 | 66.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 420 | S | 49.4 | Very low | 58.1 | Low | 112 Ų | 112 | 120.3 Ų | 120.3 | 78% | 0.783 | 69% | 0.686 | S | S | * | * | trans | -152.7 | 67.7 | 170 | -157.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 421 | C | 43.1 | Very low | 56.9 | Low | 211 Ų | 211 | 121.2 Ų | 121.2 | 100% | 1.426 | 70% | 0.697 | S | S | * | * | trans | -167.1 | 0 | 147.7 | -116.3 | 0 | 0 | 0 | 0 | 110.4 |
Retrieved 421 of 421 residues in 78.3 ms
(Link to these results)