| 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 | 46.6 | Very low | 64.4 | Low | 244 Ų | 244 | 150.5 Ų | 150.5 | 100% | 1.202 | 83% | 0.833 | S | S | * | * | 0 | 100.8 | 0 | -85.3 | 166.8 | 151.6 | 0 | 0 | 109.3 | |||||
| 2 | K | 49.5 | Very low | 65.7 | Low | 218 Ų | 218 | 149.4 Ų | 149.4 | 95% | 0.948 | 83% | 0.834 | S | S | * | * | trans | -106.7 | 106 | 174.3 | -78.2 | -179.9 | 175.6 | 177 | 0 | 107.9 | C4 | K2-C4 PolarHBondContact O-N 3.21Š| ||
| 3 | R | 56.5 | Low | 66.8 | Low | 253 Ų | 253 | 155.5 Ų | 155.5 | 96% | 0.955 | 84% | 0.837 | S | S | * | * | trans | -77.8 | 114.8 | 172.1 | -78.8 | -178.4 | 178.2 | 164.5 | -0.5 | 107.7 | ||||
| 4 | C | 66.1 | Low | 67.9 | Low | 120 Ų | 120 | 156.6 Ų | 156.6 | 81% | 0.811 | 83% | 0.833 | S | S | * | * | trans | -83 | 118.5 | 176.6 | -147.4 | 0 | 0 | 0 | 0 | 108.3 | K2 C6 | K2-C4 PolarHBondContact O-N 3.21Å; C4-C6 PolarHBondContact O-N 2.99Å | ||
| 5 | A | 68.2 | Low | 68.9 | Low | 84 Ų | 84 | 153.7 Ų | 153.7 | 69% | 0.694 | 82% | 0.824 | S | S | * | * | trans | -77.9 | 98.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | L7 | A5-L7 VanDerWaalsContact C-N 3.32Å; A5-L7 PolarHBondContact O-N 2.83Å | ||
| 6 | C | 72.6 | Confident | 69.9 | Low | 117 Ų | 117 | 151.1 Ų | 151.1 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | -75.4 | 84.5 | 172.1 | -59.9 | 0 | 0 | 0 | 0 | 109.3 | C4 S8 | C4-C6 PolarHBondContact O-N 2.99Å; C6-S8 VanDerWaalsContact C-N 3.31Å; C6-S8 PolarHBondContact O-N 3.34Å | ||
| 7 | L | 64.2 | Low | 70.7 | Confident | 147 Ų | 147 | 149.8 Ų | 149.8 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | trans | -74.7 | 84.6 | 169 | -70.8 | 168 | 0 | 0 | 0 | 109 | A5 N9 | A5-L7 VanDerWaalsContact C-N 3.32Å; A5-L7 PolarHBondContact O-N 2.83Å; L7-N9 PolarHBondContact O-N 3.2Å; L7-N9 VanDerWaalsContact O-N 3.08Å | ||
| 8 | S | 69.5 | Low | 71.6 | Confident | 103 Ų | 103 | 148.6 Ų | 148.6 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | trans | -76.6 | 86.1 | 170.8 | 57.6 | 0 | 0 | 0 | 0 | 109.7 | C6 S10 | C6-S8 VanDerWaalsContact C-N 3.31Å; C6-S8 PolarHBondContact O-N 3.34Å; S8-S10 PolarHBondContact O-N 2.98Å | ||
| 9 | N | 68.6 | Low | 72.4 | Confident | 148 Ų | 148 | 146.7 Ų | 146.7 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | trans | -68.3 | 97.6 | 167.2 | -75 | -24.2 | 0 | 0 | 0 | 108.5 | L7 | L7-N9 PolarHBondContact O-N 3.2Å; L7-N9 VanDerWaalsContact O-N 3.08Å | ||
| 10 | S | 71.2 | Confident | 72.9 | Confident | 99 Ų | 99 | 145 Ų | 145 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | trans | -75.1 | 125.6 | 172.8 | -69.2 | 0 | 0 | 0 | 0 | 109.4 | S8 T12 | S8-S10 PolarHBondContact O-N 2.98Å; S10-T12 PolarHBondContact O-N 3.23Å | ||
| 11 | P | 75.5 | Confident | 73.2 | Confident | 122 Ų | 122 | 142.8 Ų | 142.8 | 79% | 0.792 | 80% | 0.796 | S | S | * | * | trans | -65.5 | 118.3 | 177.6 | -17.2 | 29.4 | 0 | 0 | 0 | 110.7 | R13 | P11-R13 PolarHBondContact O-N 3.09Š| ||
| 12 | T | 80.2 | Confident | 74.7 | Confident | 138 Ų | 138 | 137 Ų | 137 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | trans | -62.9 | 102.3 | 172.2 | -58.1 | 0 | 0 | 0 | 0 | 109.4 | S10 H14 | S10-T12 PolarHBondContact O-N 3.23Å; T12-H14 PolarHBondContact O-N 2.92Å | ||
| 13 | R | 80 | Confident | 76.1 | Confident | 229 Ų | 229 | 133.2 Ų | 133.2 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | trans | -74.6 | 103.1 | -179.1 | -161.2 | -179.7 | -168.7 | -168.7 | 3.4 | 109.3 | P11 T15 | P11-R13 PolarHBondContact O-N 3.09Å; R13-T15 PolarHBondContact O-N 2.96Å | ||
| 14 | H | 82.5 | Confident | 77.1 | Confident | 170 Ų | 170 | 126.4 Ų | 126.4 | 79% | 0.787 | 75% | 0.753 | S | S | * | * | trans | -75.7 | 104.8 | 179.6 | -147.7 | -80.3 | 0 | 0 | 0 | 109.9 | T12 | T12-H14 PolarHBondContact O-N 2.92Š| ||
| 15 | T | 82.4 | Confident | 77.8 | Confident | 113 Ų | 113 | 124.1 Ų | 124.1 | 69% | 0.693 | 74% | 0.738 | S | S | * | * | trans | -89.1 | 105 | 174.8 | 52.9 | 0 | 0 | 0 | 0 | 109.3 | R13 V17 | R13-T15 PolarHBondContact O-N 2.96Å; T15-V17 PolarHBondContact O-N 2.9Å | ||
| 16 | T | 85 | Confident | 78.2 | Confident | 113 Ų | 113 | 122.5 Ų | 122.5 | 69% | 0.693 | 72% | 0.722 | S | S | * | * | trans | -73.3 | 119.4 | 166.2 | 40.5 | 0 | 0 | 0 | 0 | 108.6 | V18 | T16-V18 PolarHBondContact O-N 2.74Š| ||
| 17 | V | 83.9 | Confident | 78.3 | Confident | 128 Ų | 128 | 118.3 Ų | 118.3 | 78% | 0.776 | 69% | 0.693 | S | S | * | * | trans | -71.4 | 101.7 | 175.4 | 179.6 | 0 | 0 | 0 | 0 | 107.6 | T15 V19 | T15-V17 PolarHBondContact O-N 2.9Å; V17-V19 HydrophobicContact CG1-CG2 4.48Å; V17-V19 PolarHBondContact O-N 2.98Å | ||
| 18 | V | 86.8 | Confident | 78.9 | Confident | 128 Ų | 128 | 113.4 Ų | 113.4 | 78% | 0.776 | 67% | 0.674 | S | S | * | * | trans | -74.3 | 105.1 | 171 | -179.5 | 0 | 0 | 0 | 0 | 107.1 | T16 | T16-V18 PolarHBondContact O-N 2.74Š| ||
| 19 | V | 87.3 | Confident | 79.3 | Confident | 114 Ų | 114 | 110.9 Ų | 110.9 | 69% | 0.691 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 123.2 | 173.5 | 179.8 | 0 | 0 | 0 | 0 | 107.8 | V17 S21 | V17-V19 HydrophobicContact CG1-CG2 4.48Å; V17-V19 PolarHBondContact O-N 2.98Å; V19-S21 PolarHBondContact O-N 3.36Å |
| 20 | P | 82 | Confident | 79.7 | Confident | 111 Ų | 111 | 105.8 Ų | 105.8 | 72% | 0.721 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 129.4 | 175.7 | 23.6 | -30.5 | 0 | 0 | 0 | 109.5 | ||
| 21 | S | 79.5 | Confident | 80 | Confident | 99 Ų | 99 | 103.2 Ų | 103.2 | 69% | 0.692 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 144 | 173.7 | -58 | 0 | 0 | 0 | 0 | 109.8 | V19 V23 | V19-S21 PolarHBondContact O-N 3.36Å; S21-V23 PolarHBondContact O-N 2.85Å |
| 22 | P | 77.4 | Confident | 80 | Confident | 123 Ų | 123 | 102.3 Ų | 102.3 | 80% | 0.799 | 61% | 0.61 | S | S | * | * | trans | -56.7 | 111 | 178.5 | 21.2 | -30.7 | 0 | 0 | 0 | 109.2 | I24 | P22-I24 PolarHBondContact O-N 2.89Š| ||
| 23 | V | 79.1 | Confident | 79.9 | Confident | 139 Ų | 139 | 98.4 Ų | 98.4 | 84% | 0.842 | 59% | 0.592 | S | S | * | * | trans | -69 | 102.5 | 171 | -178.8 | 0 | 0 | 0 | 0 | 105.3 | S21 S25 | S21-V23 PolarHBondContact O-N 2.85Å; V23-S25 PolarHBondContact O-N 3.21Å | ||
| 24 | I | 76.5 | Confident | 79.8 | Confident | 110 Ų | 110 | 90.5 Ų | 90.5 | 56% | 0.564 | 57% | 0.567 | S | S | * | * | trans | -55.1 | 119 | 171.1 | -62.3 | 171.5 | 0 | 0 | 0 | 105.6 | P22 S26 A28 A29 | P22-I24 PolarHBondContact O-N 2.89Å; I24-S26 PolarHBondContact O-N 3.16Å; I24-A28 HydrophobicContact CG2-CB 3.68Å; I24-A29 HydrophobicContact CG2-CB 4.38Å | ||
| 25 | S | 81.2 | Confident | 79.5 | Confident | 71 Ų | 71 | 84.4 Ų | 84.4 | 50% | 0.497 | 54% | 0.543 | S | S | . | . | trans | -48.8 | 136 | 175.6 | 161 | 0 | 0 | 0 | 0 | 109.2 | V23 C27 A28 A29 | V23-S25 PolarHBondContact O-N 3.21Å; S25-C27 PolarHBondContact O-N 3.04Å; S25-C27 WeakPolarHBondContact OG-CB 3.46Å; S25-C27 PolarHBondContact OG-N 2.89Å; S25-A28 WeakPolarHBondContact O-CA 3.2Å; S25-A28 WeakPolarHBondContact O-CB 3.5Å; S25-A28 PolarHBondContact O-N 2.81Å; S25-A29 PolarHBondContact O-N 2.73Å; S25-A29 VanDerWaalsContact O-N 3.07Å | ||
| 26 | S | 77.4 | Confident | 79.3 | Confident | 51 Ų | 51 | 82.9 Ų | 82.9 | 36% | 0.357 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -49.9 | -34.3 | 177 | 179.5 | 0 | 0 | 0 | 0 | 111.6 | I24 A29 A30 S99 | I24-S26 PolarHBondContact O-N 3.16Å; S26-A29 PolarHBondContact O-N 2.75Å; S26-A30 WeakPolarHBondContact O-CB 3.44Å; S26-A30 PolarHBondContact O-N 3.14Å; S26-S99 PolarHBondContact OG-OG 3.15Å |
| 27 | C | 74.8 | Confident | 78.9 | Confident | 29 Ų | 29 | 80.4 Ų | 80.4 | 20% | 0.196 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -63.4 | -43.6 | 174.1 | -176.2 | 0 | 0 | 0 | 0 | 113 | S25 A29 A30 A31 C106 | S25-C27 PolarHBondContact O-N 3.04Å; S25-C27 WeakPolarHBondContact OG-CB 3.46Å; S25-C27 PolarHBondContact OG-N 2.89Å; C27-A29 VanDerWaalsContact C-N 3.35Å; C27-A30 PolarHBondContact O-N 3.34Å; C27-A31 WeakPolarHBondContact O-CB 3.19Å; C27-A31 PolarHBondContact O-N 3.43Å; C27-C106 HydrophobicContact CB-CB 4.01Å; C27-C106 WeakPolarHBondContact CB-SG 3.44Å; C27-C106 WeakPolarHBondContact SG-CB 3.46Å; C27-C106 CovalentContact SG-SG 2.04Å; C27-C106 PolarHBondContact SG-SG 2.86Å |
| 28 | A | 76.5 | Confident | 78.3 | Confident | 43 Ų | 43 | 76.7 Ų | 76.7 | 36% | 0.355 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.7 | -36.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | I24 S25 L32 | I24-A28 HydrophobicContact CG2-CB 3.68Å; S25-A28 WeakPolarHBondContact O-CA 3.2Å; S25-A28 WeakPolarHBondContact O-CB 3.5Å; S25-A28 PolarHBondContact O-N 2.81Å; A28-L32 WeakPolarHBondContact O-CB 3.24Å; A28-L32 WeakPolarHBondContact O-CG 3.26Å; A28-L32 PolarHBondContact O-N 3.18Å |
| 29 | A | 77.3 | Confident | 77.8 | Confident | 50 Ų | 50 | 72 Ų | 72 | 41% | 0.413 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | I24 S25 S26 C27 L32 A33 | I24-A29 HydrophobicContact CG2-CB 4.38Å; S25-A29 PolarHBondContact O-N 2.73Å; S25-A29 VanDerWaalsContact O-N 3.07Å; S26-A29 PolarHBondContact O-N 2.75Å; C27-A29 VanDerWaalsContact C-N 3.35Å; A29-L32 PolarHBondContact O-N 3.43Å; A29-A33 PolarHBondContact O-N 2.93Å |
| 30 | A | 78 | Confident | 76.9 | Confident | 42 Ų | 42 | 71.4 Ų | 71.4 | 35% | 0.347 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | S26 C27 L32 A33 I34 | S26-A30 WeakPolarHBondContact O-CB 3.44Å; S26-A30 PolarHBondContact O-N 3.14Å; C27-A30 PolarHBondContact O-N 3.34Å; A30-L32 VanDerWaalsContact C-N 3.34Å; A30-L32 PolarHBondContact O-N 2.95Å; A30-A33 PolarHBondContact O-N 3.48Å; A30-I34 WeakPolarHBondContact O-CG1 3.27Å; A30-I34 PolarHBondContact O-N 2.73Å |
| 31 | A | 77.7 | Confident | 76 | Confident | 45 Ų | 45 | 75.2 Ų | 75.2 | 37% | 0.372 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.8 | -41.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | C27 I34 S35 | C27-A31 WeakPolarHBondContact O-CB 3.19Å; C27-A31 PolarHBondContact O-N 3.43Å; A31-I34 PolarHBondContact O-N 3.04Å; A31-S35 WeakPolarHBondContact O-CB 3.36Å; A31-S35 PolarHBondContact O-N 3.16Å |
| 32 | L | 75.1 | Confident | 75.4 | Confident | 102 Ų | 102 | 74.9 Ų | 74.9 | 53% | 0.534 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.6 | -47.3 | 175 | -79.6 | 169.7 | 0 | 0 | 0 | 111.6 | A28 A29 A30 I34 S35 T36 | A28-L32 WeakPolarHBondContact O-CB 3.24Å; A28-L32 WeakPolarHBondContact O-CG 3.26Å; A28-L32 PolarHBondContact O-N 3.18Å; A29-L32 PolarHBondContact O-N 3.43Å; A30-L32 VanDerWaalsContact C-N 3.34Å; A30-L32 PolarHBondContact O-N 2.95Å; L32-I34 VanDerWaalsContact C-N 3.31Å; L32-I34 PolarHBondContact O-N 3.11Å; L32-S35 WeakPolarHBondContact CA-OG 3.32Å; L32-S35 PolarHBondContact O-N 3.34Å; L32-S35 VanDerWaalsContact O-N 3.13Å; L32-S35 PolarHBondContact O-OG 3.22Å; L32-T36 PolarHBondContact O-N 2.82Å; L32-T36 PolarHBondContact O-OG1 3.32Å |
| 33 | A | 78 | Confident | 74.7 | Confident | 57 Ų | 57 | 73 Ų | 73 | 47% | 0.471 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.6 | -38.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | A29 A30 T36 A37 | A29-A33 PolarHBondContact O-N 2.93Å; A30-A33 PolarHBondContact O-N 3.48Å; A33-T36 WeakPolarHBondContact CA-OG1 3.25Å; A33-T36 PolarHBondContact O-OG1 3.21Å; A33-A37 WeakPolarHBondContact O-CB 3.38Å; A33-A37 PolarHBondContact O-N 2.9Å; A33-A37 VanDerWaalsContact O-N 3.14Å |
| 34 | I | 78.2 | Confident | 73.9 | Confident | 63 Ų | 63 | 71.8 Ų | 71.8 | 32% | 0.323 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67.5 | -45.4 | 174.8 | -66.3 | 166.6 | 0 | 0 | 0 | 110.1 | A30 A31 L32 T36 A37 V38 L110 Y113 | A30-I34 WeakPolarHBondContact O-CG1 3.27Å; A30-I34 PolarHBondContact O-N 2.73Å; A31-I34 PolarHBondContact O-N 3.04Å; L32-I34 VanDerWaalsContact C-N 3.31Å; L32-I34 PolarHBondContact O-N 3.11Å; I34-T36 VanDerWaalsContact C-N 3.31Å; I34-T36 PolarHBondContact O-N 3.43Å; I34-A37 PolarHBondContact O-N 3.46Å; I34-V38 HydrophobicContact CG2-CG2 4.24Å; I34-V38 WeakPolarHBondContact O-CG2 3.31Å; I34-V38 PolarHBondContact O-N 3.46Å; I34-L110 HydrophobicContact CD1-CD2 4Å; I34-Y113 HydrophobicContact CG2-CE1 4.07Å |
| 35 | S | 76.1 | Confident | 73 | Confident | 42 Ų | 42 | 69.6 Ų | 69.6 | 29% | 0.294 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -61.8 | -38.5 | -179 | 74.6 | 0 | 0 | 0 | 0 | 112.8 | A31 L32 G39 | A31-S35 WeakPolarHBondContact O-CB 3.36Å; A31-S35 PolarHBondContact O-N 3.16Å; L32-S35 WeakPolarHBondContact CA-OG 3.32Å; L32-S35 PolarHBondContact O-N 3.34Å; L32-S35 VanDerWaalsContact O-N 3.13Å; L32-S35 PolarHBondContact O-OG 3.22Å; S35-G39 PolarHBondContact O-N 2.72Å |
| 36 | T | 76.8 | Confident | 72 | Confident | 80 Ų | 80 | 71.5 Ų | 71.5 | 49% | 0.491 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -68.5 | -43.3 | 176 | 50.4 | 0 | 0 | 0 | 0 | 111.1 | L32 A33 I34 V38 G39 D40 | L32-T36 PolarHBondContact O-N 2.82Å; L32-T36 PolarHBondContact O-OG1 3.32Å; A33-T36 WeakPolarHBondContact CA-OG1 3.25Å; A33-T36 PolarHBondContact O-OG1 3.21Å; I34-T36 VanDerWaalsContact C-N 3.31Å; I34-T36 PolarHBondContact O-N 3.43Å; T36-V38 VanDerWaalsContact C-N 3.34Å; T36-V38 PolarHBondContact O-N 3.5Å; T36-G39 PolarHBondContact O-N 3.24Å; T36-D40 WeakPolarHBondContact O-CB 3.47Å; T36-D40 VanDerWaalsContact O-CG 3.25Å; T36-D40 PolarHBondContact O-N 2.95Å |
| 37 | A | 76.5 | Confident | 71 | Confident | 61 Ų | 61 | 72.8 Ų | 72.8 | 50% | 0.504 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.6 | -39 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A33 I34 W41 | A33-A37 WeakPolarHBondContact O-CB 3.38Å; A33-A37 PolarHBondContact O-N 2.9Å; A33-A37 VanDerWaalsContact O-N 3.14Å; I34-A37 PolarHBondContact O-N 3.46Å; A37-W41 PolarHBondContact O-N 2.89Å; A37-W41 VanDerWaalsContact O-N 3.16Å |
| 38 | V | 73.1 | Confident | 70 | Confident | 51 Ų | 51 | 77.5 Ų | 77.5 | 31% | 0.309 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.9 | -42.3 | 176.4 | 175.3 | 0 | 0 | 0 | 0 | 111.1 | I34 T36 D40 W41 I42 | I34-V38 HydrophobicContact CG2-CG2 4.24Å; I34-V38 WeakPolarHBondContact O-CG2 3.31Å; I34-V38 PolarHBondContact O-N 3.46Å; T36-V38 VanDerWaalsContact C-N 3.34Å; T36-V38 PolarHBondContact O-N 3.5Å; V38-D40 VanDerWaalsContact C-N 3.34Å; V38-D40 PolarHBondContact O-N 3.27Å; V38-W41 WeakPolarHBondContact O-CB 3.32Å; V38-W41 PolarHBondContact O-N 3.38Å; V38-I42 HydrophobicContact CG1-CD1 4.19Å; V38-I42 WeakPolarHBondContact O-CG1 3.06Å; V38-I42 PolarHBondContact O-N 3.48Å; V38-I42 VanDerWaalsContact O-N 3.09Å |
| 39 | G | 74.5 | Confident | 68.9 | Low | 29 Ų | 29 | 81.4 Ų | 81.4 | 30% | 0.299 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -58.3 | -46 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | S35 T36 W41 I42 C43 | S35-G39 PolarHBondContact O-N 2.72Å; T36-G39 PolarHBondContact O-N 3.24Å; G39-W41 VanDerWaalsContact C-N 3.31Å; G39-W41 PolarHBondContact O-N 2.9Å; G39-I42 PolarHBondContact O-N 3.14Å; G39-C43 PolarHBondContact O-N 3.45Å; G39-C43 PolarHBondContact O-SG 2.9Å |
| 40 | D | 70 | Confident | 68 | Low | 102 Ų | 102 | 85.8 Ų | 85.8 | 55% | 0.545 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -37.4 | 177.8 | -70.3 | -18.5 | 0 | 0 | 0 | 112 | T36 V38 C43 I44 | T36-D40 WeakPolarHBondContact O-CB 3.47Å; T36-D40 VanDerWaalsContact O-CG 3.25Å; T36-D40 PolarHBondContact O-N 2.95Å; V38-D40 VanDerWaalsContact C-N 3.34Å; V38-D40 PolarHBondContact O-N 3.27Å; D40-C43 PolarHBondContact O-N 2.65Å; D40-I44 WeakPolarHBondContact O-CG1 3.42Å; D40-I44 PolarHBondContact O-N 2.69Å |
| 41 | W | 63.3 | Low | 66.9 | Low | 190 Ų | 190 | 89.2 Ų | 89.2 | 72% | 0.72 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.6 | -43.4 | 175.6 | -170.1 | -80.3 | 0 | 0 | 0 | 112.3 | A37 V38 G39 I44 S45 | A37-W41 PolarHBondContact O-N 2.89Å; A37-W41 VanDerWaalsContact O-N 3.16Å; V38-W41 WeakPolarHBondContact O-CB 3.32Å; V38-W41 PolarHBondContact O-N 3.38Å; G39-W41 VanDerWaalsContact C-N 3.31Å; G39-W41 PolarHBondContact O-N 2.9Å; W41-I44 PolarHBondContact O-N 3.15Å; W41-S45 PolarHBondContact O-N 2.96Å; W41-S45 VanDerWaalsContact O-N 3.12Å |
| 42 | I | 66.6 | Low | 66.3 | Low | 93 Ų | 93 | 91.7 Ų | 91.7 | 48% | 0.477 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 177.2 | -65.4 | 167 | 0 | 0 | 0 | 109.7 | V38 G39 I44 S45 V46 | V38-I42 HydrophobicContact CG1-CD1 4.19Å; V38-I42 WeakPolarHBondContact O-CG1 3.06Å; V38-I42 PolarHBondContact O-N 3.48Å; V38-I42 VanDerWaalsContact O-N 3.09Å; G39-I42 PolarHBondContact O-N 3.14Å; I42-I44 PolarHBondContact O-N 3.38Å; I42-S45 PolarHBondContact O-N 3.39Å; I42-S45 VanDerWaalsContact O-N 3.15Å; I42-S45 PolarHBondContact O-OG 3.41Å; I42-V46 WeakPolarHBondContact O-CG2 3.48Å; I42-V46 PolarHBondContact O-N 3.02Å; I42-V46 VanDerWaalsContact O-N 3.14Å |
| 43 | C | 62.6 | Low | 65.6 | Low | 84 Ų | 84 | 95.1 Ų | 95.1 | 57% | 0.568 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -58.4 | -44.2 | 178.2 | -69.1 | 0 | 0 | 0 | 0 | 112.5 | G39 D40 S45 V46 S47 | G39-C43 PolarHBondContact O-N 3.45Å; G39-C43 PolarHBondContact O-SG 2.9Å; D40-C43 PolarHBondContact O-N 2.65Å; C43-S45 VanDerWaalsContact C-N 3.32Å; C43-S45 PolarHBondContact O-N 3.4Å; C43-V46 PolarHBondContact O-N 3.12Å; C43-S47 PolarHBondContact O-N 3.24Å; C43-S47 VanDerWaalsContact O-N 3.16Å |
| 44 | I | 62.6 | Low | 65.1 | Low | 113 Ų | 113 | 97.4 Ų | 97.4 | 58% | 0.579 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.1 | -41.6 | 177.6 | -65.9 | 164.7 | 0 | 0 | 0 | 110.5 | D40 W41 I42 V46 S47 | D40-I44 WeakPolarHBondContact O-CG1 3.42Å; D40-I44 PolarHBondContact O-N 2.69Å; W41-I44 PolarHBondContact O-N 3.15Å; I42-I44 PolarHBondContact O-N 3.38Å; I44-V46 VanDerWaalsContact C-N 3.33Å; I44-V46 PolarHBondContact O-N 2.76Å; I44-S47 PolarHBondContact O-N 3.16Å; I44-S47 PolarHBondContact O-OG 2.83Å |
| 45 | S | 57.7 | Low | 64.5 | Low | 63 Ų | 63 | 99 Ų | 99 | 44% | 0.441 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -63.6 | -35.5 | -179.2 | 75.3 | 0 | 0 | 0 | 0 | 113.7 | W41 I42 C43 | W41-S45 PolarHBondContact O-N 2.96Å; W41-S45 VanDerWaalsContact O-N 3.12Å; I42-S45 PolarHBondContact O-N 3.39Å; I42-S45 VanDerWaalsContact O-N 3.15Å; I42-S45 PolarHBondContact O-OG 3.41Å; C43-S45 VanDerWaalsContact C-N 3.32Å; C43-S45 PolarHBondContact O-N 3.4Å |
| 46 | V | 59.1 | Low | 63.8 | Low | 112 Ų | 112 | 104.4 Ų | 104.4 | 68% | 0.679 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -77.2 | -28.4 | 178.9 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | I42 C43 I44 N48 | I42-V46 WeakPolarHBondContact O-CG2 3.48Å; I42-V46 PolarHBondContact O-N 3.02Å; I42-V46 VanDerWaalsContact O-N 3.14Å; C43-V46 PolarHBondContact O-N 3.12Å; I44-V46 VanDerWaalsContact C-N 3.33Å; I44-V46 PolarHBondContact O-N 2.76Å; V46-N48 PolarHBondContact O-N 3.15Å; V46-N48 VanDerWaalsContact O-N 3.16Å |
| 47 | S | 57.6 | Low | 63.2 | Low | 78 Ų | 78 | 108.6 Ų | 108.6 | 55% | 0.545 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.1 | -4.8 | 177.6 | 77.1 | 0 | 0 | 0 | 0 | 114.6 | C43 I44 T49 | C43-S47 PolarHBondContact O-N 3.24Å; C43-S47 VanDerWaalsContact O-N 3.16Å; I44-S47 PolarHBondContact O-N 3.16Å; I44-S47 PolarHBondContact O-OG 2.83Å; S47-T49 PolarHBondContact O-N 3.45Å; S47-T49 PolarHBondContact O-OG1 3.16Å |
| 48 | N | 53.9 | Low | 62.8 | Low | 127 Ų | 127 | 113.8 Ų | 113.8 | 68% | 0.679 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -69.1 | 77.3 | 163.6 | -71.2 | -39.8 | 0 | 0 | 0 | 109 | V46 L50 | V46-N48 PolarHBondContact O-N 3.15Å; V46-N48 VanDerWaalsContact O-N 3.16Å; N48-L50 PolarHBondContact O-N 2.98Å; N48-L50 VanDerWaalsContact O-N 3.11Å |
| 49 | T | 52.4 | Low | 62.5 | Low | 126 Ų | 126 | 117 Ų | 117 | 77% | 0.773 | 67% | 0.666 | S | S | * | * | trans | -25.1 | 112.2 | 165.6 | -55.5 | 0 | 0 | 0 | 0 | 109.3 | S47 P51 | S47-T49 PolarHBondContact O-N 3.45Å; S47-T49 PolarHBondContact O-OG1 3.16Å; T49-P51 VanDerWaalsContact O-N 3.15Å | ||
| 50 | L | 58.4 | Low | 62.4 | Low | 141 Ų | 141 | 119.8 Ų | 119.8 | 74% | 0.738 | 69% | 0.686 | S | S | * | * | trans | -44.5 | 124.4 | 174.1 | -77.1 | 157.7 | 0 | 0 | 0 | 107.8 | N48 S52 | N48-L50 PolarHBondContact O-N 2.98Å; N48-L50 VanDerWaalsContact O-N 3.11Å; L50-S52 PolarHBondContact O-N 2.92Å | ||
| 51 | P | 55 | Low | 62.4 | Low | 114 Ų | 114 | 120.8 Ų | 120.8 | 74% | 0.74 | 70% | 0.699 | S | S | * | * | trans | -53.8 | 123.7 | 176.5 | 22.1 | -31.3 | 0 | 0 | 0 | 106.6 | T49 L53 | T49-P51 VanDerWaalsContact O-N 3.15Å; P51-L53 PolarHBondContact O-N 2.67Å | ||
| 52 | S | 65.5 | Low | 62.4 | Low | 97 Ų | 97 | 117.2 Ų | 117.2 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | trans | -52.4 | 114.7 | -175.5 | 56.9 | 0 | 0 | 0 | 0 | 107.6 | L50 V54 | L50-S52 PolarHBondContact O-N 2.92Å; S52-V54 PolarHBondContact O-N 3.43Å | ||
| 53 | L | 58.9 | Low | 62.2 | Low | 175 Ų | 175 | 118.7 Ų | 118.7 | 92% | 0.916 | 72% | 0.716 | S | S | * | * | trans | -65 | 85 | 175.3 | -106.9 | 156.1 | 0 | 0 | 0 | 106.8 | P51 S55 | P51-L53 PolarHBondContact O-N 2.67Å; L53-S55 PolarHBondContact O-N 3.41Å | ||
| 54 | V | 69.1 | Low | 62.2 | Low | 104 Ų | 104 | 120 Ų | 120 | 63% | 0.63 | 73% | 0.726 | S | S | * | * | trans | -69.6 | 92.6 | 167.1 | 179.2 | 0 | 0 | 0 | 0 | 105 | S52 L56 | S52-V54 PolarHBondContact O-N 3.43Å; V54-L56 VanDerWaalsContact C-N 3.3Å; V54-L56 HydrophobicContact CG1-CD2 4.05Å; V54-L56 HydrophobicContact CG1-CG 4.4Å; V54-L56 PolarHBondContact O-N 2.81Å | ||
| 55 | S | 64.4 | Low | 62.4 | Low | 97 Ų | 97 | 122 Ų | 122 | 68% | 0.678 | 74% | 0.736 | S | S | * | * | trans | -58 | 96.7 | 164.2 | 168.3 | 0 | 0 | 0 | 0 | 107.3 | L53 M57 | L53-S55 PolarHBondContact O-N 3.41Å; S55-M57 PolarHBondContact O-N 2.87Å | ||
| 56 | L | 62.8 | Low | 62.5 | Low | 155 Ų | 155 | 127.8 Ų | 127.8 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | trans | -72 | 88.2 | 169 | -68.2 | 172.7 | 0 | 0 | 0 | 106.9 | V54 L58 | V54-L56 VanDerWaalsContact C-N 3.3Å; V54-L56 HydrophobicContact CG1-CD2 4.05Å; V54-L56 HydrophobicContact CG1-CG 4.4Å; V54-L56 PolarHBondContact O-N 2.81Å; L56-L58 PolarHBondContact O-N 3.27Å | ||
| 57 | M | 64.5 | Low | 62.9 | Low | 169 Ų | 169 | 127.4 Ų | 127.4 | 83% | 0.833 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 122.3 | 162.5 | -95.1 | -171.8 | 135.1 | 0 | 0 | 107.9 | S55 P59 | S55-M57 PolarHBondContact O-N 2.87Å; M57-P59 WeakPolarHBondContact O-CD 3.24Å |
| 58 | L | 66.3 | Low | 63.5 | Low | 170 Ų | 170 | 128.7 Ų | 128.7 | 89% | 0.89 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 121.3 | 173.4 | -77.7 | 161 | 0 | 0 | 0 | 108.4 | L56 A60 | L56-L58 PolarHBondContact O-N 3.27Å; L58-A60 PolarHBondContact O-N 3.44Å |
| 59 | P | 66.7 | Low | 64.2 | Low | 117 Ų | 117 | 127.8 Ų | 127.8 | 76% | 0.76 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 131.4 | 178.8 | 25 | -31.4 | 0 | 0 | 0 | 109.2 | M57 | M57-P59 WeakPolarHBondContact O-CD 3.24Š|
| 60 | A | 73.1 | Confident | 64.8 | Low | 88 Ų | 88 | 130.3 Ų | 130.3 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 134.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | L58 S62 | L58-A60 PolarHBondContact O-N 3.44Å; A60-S62 PolarHBondContact O-N 3.47Å |
| 61 | P | 69.6 | Low | 65.4 | Low | 124 Ų | 124 | 126.3 Ų | 126.3 | 81% | 0.805 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | 112 | -174.6 | 27.7 | -31.6 | 0 | 0 | 0 | 110.3 | ||
| 62 | S | 64.6 | Low | 66 | Low | 115 Ų | 115 | 126.5 Ų | 126.5 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 164.3 | 9.3 | 136 | 62.9 | 0 | 0 | 0 | 0 | 116.4 | A60 | A60-S62 PolarHBondContact O-N 3.47Š|
| 63 | T | 62 | Low | 66.3 | Low | 123 Ų | 123 | 130.8 Ų | 130.8 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | trans | -134.5 | 84.6 | 172.8 | 49.8 | 0 | 0 | 0 | 0 | 111.8 | I65 | T63-I65 PolarHBondContact O-N 2.88Š| ||
| 64 | S | 61.9 | Low | 66.3 | Low | 113 Ų | 113 | 130.2 Ų | 130.2 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -68.6 | 91.1 | 170.4 | 164.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 65 | I | 67.4 | Low | 65.8 | Low | 154 Ų | 154 | 130.5 Ų | 130.5 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | -116.2 | 98.1 | 159.8 | -49.3 | 176.2 | 0 | 0 | 0 | 106.1 | T63 S67 | T63-I65 PolarHBondContact O-N 2.88Å; I65-S67 PolarHBondContact O-N 3.4Å | ||
| 66 | F | 60.6 | Low | 65.4 | Low | 185 Ų | 185 | 130.9 Ų | 130.9 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | -71 | 74.4 | -172.8 | -146.3 | -90.1 | 0 | 0 | 0 | 110.3 | V68 | F66-V68 HydrophobicContact CD1-CG2 3.78Å; F66-V68 HydrophobicContact CE1-CG2 3.75Å | ||
| 67 | S | 67.3 | Low | 64.6 | Low | 104 Ų | 104 | 133.4 Ų | 133.4 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -91 | 102.4 | 167.4 | -174.1 | 0 | 0 | 0 | 0 | 107.9 | I65 P69 | I65-S67 PolarHBondContact O-N 3.4Å; S67-P69 WeakPolarHBondContact O-CD 3.47Å | ||
| 68 | V | 68.9 | Low | 63.8 | Low | 105 Ų | 105 | 131 Ų | 131 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | trans | -72.5 | 111.9 | 171.8 | 179.8 | 0 | 0 | 0 | 0 | 106.9 | F66 L70 | F66-V68 HydrophobicContact CD1-CG2 3.78Å; F66-V68 HydrophobicContact CE1-CG2 3.75Å; V68-L70 PolarHBondContact O-N 3.12Å | ||
| 69 | P | 68.7 | Low | 62.8 | Low | 108 Ų | 108 | 128.9 Ų | 128.9 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | trans | -62.9 | 125.4 | 175.8 | 24.7 | -30.6 | 0 | 0 | 0 | 108.5 | S67 G71 | S67-P69 WeakPolarHBondContact O-CD 3.47Å; P69-G71 PolarHBondContact O-N 2.64Å | ||
| 70 | L | 66.3 | Low | 61.6 | Low | 179 Ų | 179 | 128.7 Ų | 128.7 | 94% | 0.937 | 75% | 0.754 | S | S | * | * | trans | -56 | 111.7 | 169.7 | -80.9 | 160.4 | 0 | 0 | 0 | 107.4 | V68 | V68-L70 PolarHBondContact O-N 3.12Š| ||
| 71 | G | 70.1 | Confident | 60.2 | Low | 57 Ų | 57 | 133.5 Ų | 133.5 | 59% | 0.588 | 76% | 0.759 | S | S | * | * | trans | -56.9 | 157.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P69 K73 | P69-G71 PolarHBondContact O-N 2.64Å; G71-K73 PolarHBondContact O-N 2.94Å; G71-K73 VanDerWaalsContact O-N 3.09Å | ||
| 72 | P | 67.8 | Low | 59.2 | Low | 118 Ų | 118 | 133.7 Ų | 133.7 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | -56.7 | 119.6 | -177.9 | 21 | -30.6 | 0 | 0 | 0 | 110.3 | L74 | P72-L74 PolarHBondContact O-N 3.32Š| ||
| 73 | K | 71.4 | Confident | 58.2 | Low | 187 Ų | 187 | 133.8 Ų | 133.8 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | trans | -62.8 | 104.8 | 173.1 | -173.9 | 174.6 | -179.2 | 174.5 | 0 | 107.5 | G71 V75 | G71-K73 PolarHBondContact O-N 2.94Å; G71-K73 VanDerWaalsContact O-N 3.09Å; K73-V75 VanDerWaalsContact C-N 3.31Å; K73-V75 HydrophobicContact CG-CG2 4.26Å; K73-V75 PolarHBondContact O-N 3.24Å | ||
| 74 | L | 59 | Low | 57.5 | Low | 163 Ų | 163 | 131.8 Ų | 131.8 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | trans | -62 | 94.7 | 171.7 | -69.6 | 171.5 | 0 | 0 | 0 | 108.1 | P72 S76 | P72-L74 PolarHBondContact O-N 3.32Å; L74-S76 PolarHBondContact O-N 3.09Å | ||
| 75 | V | 59.4 | Low | 56.8 | Low | 109 Ų | 109 | 132 Ų | 132 | 66% | 0.661 | 75% | 0.749 | S | S | * | * | trans | -86.3 | 97.4 | 167.8 | -174.6 | 0 | 0 | 0 | 0 | 105.8 | K73 R77 | K73-V75 VanDerWaalsContact C-N 3.31Å; K73-V75 HydrophobicContact CG-CG2 4.26Å; K73-V75 PolarHBondContact O-N 3.24Å; V75-R77 VanDerWaalsContact C-N 3.27Å; V75-R77 PolarHBondContact O-N 3.47Å | ||
| 76 | S | 54.7 | Low | 56.1 | Low | 105 Ų | 105 | 130.4 Ų | 130.4 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | trans | -62.9 | 87.6 | 172.6 | -55.5 | 0 | 0 | 0 | 0 | 109.6 | L74 T78 | L74-S76 PolarHBondContact O-N 3.09Å; S76-T78 PolarHBondContact O-N 3.23Å; S76-T78 VanDerWaalsContact O-N 3.14Å | ||
| 77 | R | 45.9 | Very low | 55.6 | Low | 209 Ų | 209 | 125.7 Ų | 125.7 | 79% | 0.789 | 73% | 0.733 | S | S | * | * | trans | -76.4 | 93.8 | 164.7 | -94.5 | -169.1 | 175.3 | -171.8 | -0.7 | 108.2 | V75 D79 | V75-R77 VanDerWaalsContact C-N 3.27Å; V75-R77 PolarHBondContact O-N 3.47Å; R77-D79 VanDerWaalsContact C-N 3.3Å; R77-D79 PolarHBondContact O-N 3.42Å | ||
| 78 | T | 47.5 | Very low | 54.8 | Low | 118 Ų | 118 | 127.3 Ų | 127.3 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | trans | -85.2 | 79.4 | 167.3 | -52.5 | 0 | 0 | 0 | 0 | 107.5 | S76 C80 | S76-T78 PolarHBondContact O-N 3.23Å; S76-T78 VanDerWaalsContact O-N 3.14Å; T78-C80 VanDerWaalsContact C-N 3.33Å | ||
| 79 | D | 45.5 | Very low | 53.8 | Low | 126 Ų | 126 | 127.4 Ų | 127.4 | 67% | 0.674 | 73% | 0.733 | S | S | * | * | trans | -96.9 | 17.1 | 173.6 | -71.5 | -37 | 0 | 0 | 0 | 112.2 | R77 K81 | R77-D79 VanDerWaalsContact C-N 3.3Å; R77-D79 PolarHBondContact O-N 3.42Å; D79-K81 PolarHBondContact O-N 2.93Å; D79-K81 VanDerWaalsContact O-N 3.15Å | ||
| 80 | C | 42.4 | Very low | 52.8 | Low | 112 Ų | 112 | 130.7 Ų | 130.7 | 76% | 0.757 | 74% | 0.737 | S | S | * | * | trans | -82.4 | 89.9 | 166.4 | -64.8 | 0 | 0 | 0 | 0 | 108.1 | T78 P82 | T78-C80 VanDerWaalsContact C-N 3.33Å; C80-P82 WeakPolarHBondContact O-CD 3.23Å | ||
| 81 | K | 43 | Very low | 52 | Low | 190 Ų | 190 | 129.5 Ų | 129.5 | 83% | 0.826 | 72% | 0.724 | S | S | * | * | trans | -63.5 | 113.2 | 154.1 | -88.3 | 179 | 173 | 176.1 | 0 | 107.1 | D79 S83 | D79-K81 PolarHBondContact O-N 2.93Å; D79-K81 VanDerWaalsContact O-N 3.15Å; K81-S83 PolarHBondContact O-N 3.16Å | ||
| 82 | P | 48.3 | Very low | 50.9 | Low | 127 Ų | 127 | 129.1 Ų | 129.1 | 83% | 0.825 | 72% | 0.716 | S | S | * | * | trans | -70.1 | 85 | 160 | 30.6 | -31.9 | 0 | 0 | 0 | 106.8 | C80 A84 | C80-P82 WeakPolarHBondContact O-CD 3.23Å; P82-A84 PolarHBondContact O-N 3.41Å; P82-A84 VanDerWaalsContact O-N 3.16Å | ||
| 83 | S | 45.2 | Very low | 50 | Low | 118 Ų | 118 | 126.3 Ų | 126.3 | 83% | 0.825 | 70% | 0.703 | S | S | * | * | trans | -84.8 | 71.3 | 169 | -168.5 | 0 | 0 | 0 | 0 | 107.8 | K81 | K81-S83 PolarHBondContact O-N 3.16Š| ||
| 84 | A | 46.3 | Very low | 49 | Very low | 81 Ų | 81 | 120.6 Ų | 120.6 | 67% | 0.669 | 69% | 0.686 | S | S | * | * | trans | -140.2 | 104.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | P82 V86 | P82-A84 PolarHBondContact O-N 3.41Å; P82-A84 VanDerWaalsContact O-N 3.16Å; A84-V86 PolarHBondContact O-N 2.93Å; A84-V86 VanDerWaalsContact O-N 3.13Å | ||
| 85 | D | 47.9 | Very low | 48.6 | Very low | 118 Ų | 118 | 118.7 Ų | 118.7 | 63% | 0.631 | 68% | 0.676 | S | S | * | * | trans | -43.2 | 110.4 | 174.6 | -173.5 | 7.3 | 0 | 0 | 0 | 111.4 | T87 L88 | D85-T87 PolarHBondContact O-N 3.03Å; D85-T87 VanDerWaalsContact OD1-CB 3.27Å; D85-T87 WeakPolarHBondContact OD1-CB 3.43Å; D85-T87 PolarHBondContact OD1-N 3.47Å; D85-T87 PolarHBondContact OD1-OG1 3.38Å; D85-L88 PolarHBondContact O-N 3.34Å | ||
| 86 | V | 51.8 | Low | 48 | Very low | 120 Ų | 120 | 119.4 Ų | 119.4 | 73% | 0.727 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -13 | 178.9 | 177.5 | 0 | 0 | 0 | 0 | 111.9 | A84 L88 T89 | A84-V86 PolarHBondContact O-N 2.93Å; A84-V86 VanDerWaalsContact O-N 3.13Å; V86-L88 PolarHBondContact O-N 3.25Å; V86-T89 PolarHBondContact O-N 2.92Å |
| 87 | T | 49.7 | Very low | 47.7 | Very low | 86 Ų | 86 | 121.3 Ų | 121.3 | 53% | 0.528 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -63.9 | -20.1 | 177 | -41.2 | 0 | 0 | 0 | 0 | 113.5 | D85 | D85-T87 PolarHBondContact O-N 3.03Å; D85-T87 VanDerWaalsContact OD1-CB 3.27Å; D85-T87 WeakPolarHBondContact OD1-CB 3.43Å; D85-T87 PolarHBondContact OD1-N 3.47Å; D85-T87 PolarHBondContact OD1-OG1 3.38Å |
| 88 | L | 51.9 | Low | 47.7 | Very low | 138 Ų | 138 | 118.3 Ų | 118.3 | 72% | 0.723 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -76.7 | -30.6 | -179.6 | -128.1 | 149.9 | 0 | 0 | 0 | 113.1 | D85 V86 F90 A92 | D85-L88 PolarHBondContact O-N 3.34Å; V86-L88 PolarHBondContact O-N 3.25Å; L88-F90 PolarHBondContact O-N 3.31Å; L88-A92 PolarHBondContact O-N 3.13Å |
| 89 | T | 47.7 | Very low | 47.7 | Very low | 106 Ų | 106 | 114.7 Ų | 114.7 | 65% | 0.65 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -70.2 | -34.4 | -176.2 | -47.7 | 0 | 0 | 0 | 0 | 112.6 | V86 | V86-T89 PolarHBondContact O-N 2.92Å |
| 90 | F | 47.2 | Very low | 47.5 | Very low | 178 Ų | 178 | 112.1 Ų | 112.1 | 78% | 0.781 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -75.1 | -31.1 | -177 | -141.9 | -86.5 | 0 | 0 | 0 | 112.9 | L88 S94 | L88-F90 PolarHBondContact O-N 3.31Å; F90-S94 PolarHBondContact O-OG 3.25Å |
| 91 | K | 49 | Very low | 47.5 | Very low | 153 Ų | 153 | 116.9 Ų | 116.9 | 67% | 0.665 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -79.5 | -28.1 | 178.4 | -76.4 | -171.4 | 175.6 | -179 | 0 | 113.6 | A93 S94 L95 | K91-A93 VanDerWaalsContact C-N 3.33Å; K91-S94 PolarHBondContact O-OG 2.96Å; K91-L95 PolarHBondContact O-N 3.21Å |
| 92 | A | 47.2 | Very low | 47.4 | Very low | 49 Ų | 49 | 111.1 Ų | 111.1 | 41% | 0.405 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -68 | -35.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L88 S94 L95 L96 | L88-A92 PolarHBondContact O-N 3.13Å; A92-S94 PolarHBondContact O-N 3.19Å; A92-L95 PolarHBondContact O-N 2.55Å; A92-L96 PolarHBondContact O-N 2.81Å |
| 93 | A | 48.6 | Very low | 47.2 | Very low | 60 Ų | 60 | 110.5 Ų | 110.5 | 50% | 0.496 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -65.7 | -37.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | K91 | K91-A93 VanDerWaalsContact C-N 3.33Å |
| 94 | S | 50.8 | Low | 47.8 | Very low | 67 Ų | 67 | 111.6 Ų | 111.6 | 47% | 0.469 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -72.6 | -36.8 | 178.5 | 31.2 | 0 | 0 | 0 | 0 | 113 | F90 K91 A92 L96 N97 | F90-S94 PolarHBondContact O-OG 3.25Å; K91-S94 PolarHBondContact O-OG 2.96Å; A92-S94 PolarHBondContact O-N 3.19Å; S94-L96 VanDerWaalsContact C-N 3.3Å; S94-L96 PolarHBondContact O-N 3.26Å; S94-N97 PolarHBondContact O-N 3.34Å |
| 95 | L | 50.6 | Low | 48.3 | Very low | 123 Ų | 123 | 114.1 Ų | 114.1 | 64% | 0.644 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.7 | -26.9 | 176.2 | -72 | 172.5 | 0 | 0 | 0 | 113.4 | K91 A92 N97 S99 | K91-L95 PolarHBondContact O-N 3.21Å; A92-L95 PolarHBondContact O-N 2.55Å; L95-N97 VanDerWaalsContact C-N 3.31Å; L95-S99 PolarHBondContact O-OG 3.41Å; L95-S99 VanDerWaalsContact O-OG 3.09Å |
| 96 | L | 46 | Very low | 48.8 | Very low | 124 Ų | 124 | 109.5 Ų | 109.5 | 65% | 0.649 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.4 | -28.7 | 173.5 | -89.9 | 162.7 | 0 | 0 | 0 | 112.9 | A92 S94 | A92-L96 PolarHBondContact O-N 2.81Å; S94-L96 VanDerWaalsContact C-N 3.3Å; S94-L96 PolarHBondContact O-N 3.26Å |
| 97 | N | 48.7 | Very low | 49.5 | Very low | 144 Ų | 144 | 106.5 Ų | 106.5 | 77% | 0.77 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -78.6 | -28.6 | 179.4 | -113.5 | 5 | 0 | 0 | 0 | 113.2 | S94 L95 | S94-N97 PolarHBondContact O-N 3.34Å; L95-N97 VanDerWaalsContact C-N 3.31Å |
| 98 | D | 47 | Very low | 50.4 | Low | 146 Ų | 146 | 107.8 Ų | 107.8 | 78% | 0.781 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -89.3 | -15.7 | -175.6 | -81.8 | -11.7 | 0 | 0 | 0 | 114.2 | A100 | D98-A100 VanDerWaalsContact C-N 3.33Å; D98-A100 PolarHBondContact O-N 3.23Å |
| 99 | S | 47.2 | Very low | 51.4 | Low | 43 Ų | 43 | 107.3 Ų | 107.3 | 30% | 0.301 | 60% | 0.595 | S | S | . | * | trans | -96.5 | 48 | -179.3 | 54 | 0 | 0 | 0 | 0 | 113.1 | S26 L95 F101 | S26-S99 PolarHBondContact OG-OG 3.15Å; L95-S99 PolarHBondContact O-OG 3.41Å; L95-S99 VanDerWaalsContact O-OG 3.09Å; S99-F101 PolarHBondContact O-N 3.43Å | ||
| 100 | A | 41.8 | Very low | 52.5 | Low | 72 Ų | 72 | 103.9 Ų | 103.9 | 60% | 0.595 | 57% | 0.572 | S | S | * | * | trans | -84.5 | 81.8 | 165 | 0 | 0 | 0 | 0 | 0 | 109.4 | D98 | D98-A100 VanDerWaalsContact C-N 3.33Å; D98-A100 PolarHBondContact O-N 3.23Å | ||
| 101 | F | 40.4 | Very low | 53.9 | Low | 212 Ų | 212 | 100.4 Ų | 100.4 | 93% | 0.93 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -176.4 | 118.3 | 155.5 | -106.9 | -75.7 | 0 | 0 | 0 | 111 | S99 | S99-F101 PolarHBondContact O-N 3.43Š|
| 102 | G | 41.5 | Very low | 55.1 | Low | 69 Ų | 69 | 98.8 Ų | 98.8 | 71% | 0.711 | 56% | 0.559 | S | S | * | * | trans | 101.4 | 65.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 103 | F | 45.1 | Very low | 56.4 | Low | 114 Ų | 114 | 100.1 Ų | 100.1 | 50% | 0.5 | 56% | 0.555 | S | S | . | * | trans | -107.1 | 67.1 | -178.4 | -64.5 | -79.4 | 0 | 0 | 0 | 113.4 | ||||
| 104 | N | 56.5 | Low | 57.9 | Low | 140 Ų | 140 | 100.1 Ų | 100.1 | 75% | 0.749 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -98.3 | -23.5 | -179.1 | -63.1 | 3.3 | 0 | 0 | 0 | 113.8 | ||
| 105 | N | 58.3 | Low | 59.3 | Low | 134 Ų | 134 | 104 Ų | 104 | 72% | 0.717 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -115.8 | -6.7 | -173.2 | -66.4 | -0.7 | 0 | 0 | 0 | 114.8 | N107 | N105-N107 VanDerWaalsContact C-N 3.32Š|
| 106 | C | 57.2 | Low | 60.6 | Low | 21 Ų | 21 | 105.4 Ų | 105.4 | 14% | 0.142 | 55% | 0.549 | C | S | . | . | H | α-helix | trans | -77.4 | -21.6 | -176.4 | -157.9 | 0 | 0 | 0 | 0 | 112.3 | C27 D108 M109 L110 | C27-C106 HydrophobicContact CB-CB 4.01Å; C27-C106 WeakPolarHBondContact CB-SG 3.44Å; C27-C106 WeakPolarHBondContact SG-CB 3.46Å; C27-C106 CovalentContact SG-SG 2.04Å; C27-C106 PolarHBondContact SG-SG 2.86Å; C106-D108 VanDerWaalsContact C-N 3.31Å; C106-D108 PolarHBondContact O-N 2.91Å; C106-M109 PolarHBondContact O-N 2.96Å; C106-L110 PolarHBondContact O-N 3.42Å; C106-L110 VanDerWaalsContact O-N 3.11Å |
| 107 | N | 66.7 | Low | 62.2 | Low | 57 Ų | 57 | 101.9 Ų | 101.9 | 31% | 0.305 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.6 | -35.7 | 176.8 | -69.3 | -35.2 | 0 | 0 | 0 | 112.3 | N105 L110 L111 | N105-N107 VanDerWaalsContact C-N 3.32Å; N107-L110 PolarHBondContact O-N 3.19Å; N107-L111 WeakPolarHBondContact O-CB 3.46Å; N107-L111 WeakPolarHBondContact O-CG 3.37Å; N107-L111 PolarHBondContact O-N 3.46Å |
| 108 | D | 69.3 | Low | 63.7 | Low | 114 Ų | 114 | 100.2 Ų | 100.2 | 61% | 0.61 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.4 | -40.3 | 178.4 | -71.9 | -13.3 | 0 | 0 | 0 | 111.8 | C106 L111 L112 | C106-D108 VanDerWaalsContact C-N 3.31Å; C106-D108 PolarHBondContact O-N 2.91Å; D108-L111 PolarHBondContact O-N 2.79Å; D108-L112 WeakPolarHBondContact O-CB 3.42Å; D108-L112 PolarHBondContact O-N 2.78Å |
| 109 | M | 72.1 | Confident | 65.3 | Low | 127 Ų | 127 | 97.1 Ų | 97.1 | 63% | 0.626 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.4 | -43.5 | 175.7 | -105.9 | -72.3 | -158.3 | 0 | 0 | 111.8 | C106 L112 Y113 | C106-M109 PolarHBondContact O-N 2.96Å; M109-L112 PolarHBondContact O-N 2.82Å; M109-Y113 WeakPolarHBondContact O-CB 3.3Å; M109-Y113 PolarHBondContact O-N 3.45Å |
| 110 | L | 71.4 | Confident | 66.7 | Low | 34 Ų | 34 | 99.7 Ų | 99.7 | 18% | 0.178 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 176.7 | -79 | 169.6 | 0 | 0 | 0 | 111.5 | I34 C106 N107 L112 Y113 L114 F150 | I34-L110 HydrophobicContact CD1-CD2 4Å; C106-L110 PolarHBondContact O-N 3.42Å; C106-L110 VanDerWaalsContact O-N 3.11Å; N107-L110 PolarHBondContact O-N 3.19Å; L110-L112 VanDerWaalsContact C-N 3.33Å; L110-L112 PolarHBondContact O-N 3.44Å; L110-Y113 PolarHBondContact O-N 3.25Å; L110-L114 WeakPolarHBondContact O-CB 3.26Å; L110-L114 VanDerWaalsContact O-CD1 3.28Å; L110-L114 WeakPolarHBondContact O-CD1 3.17Å; L110-L114 WeakPolarHBondContact O-CG 3.13Å; L110-L114 PolarHBondContact O-N 2.85Å; L110-F150 HydrophobicContact CD1-CE1 4.31Å; L110-F150 HydrophobicContact CD1-CZ 4.08Å |
| 111 | L | 77.3 | Confident | 68.2 | Low | 105 Ų | 105 | 101.2 Ų | 101.2 | 55% | 0.55 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 175.9 | -85 | 164.3 | 0 | 0 | 0 | 111.7 | N107 D108 L114 Y115 | N107-L111 WeakPolarHBondContact O-CB 3.46Å; N107-L111 WeakPolarHBondContact O-CG 3.37Å; N107-L111 PolarHBondContact O-N 3.46Å; D108-L111 PolarHBondContact O-N 2.79Å; L111-L114 PolarHBondContact O-N 2.74Å; L111-Y115 WeakPolarHBondContact O-CB 3.42Å; L111-Y115 PolarHBondContact O-N 3.46Å |
| 112 | L | 73.8 | Confident | 69.9 | Low | 119 Ų | 119 | 95.9 Ų | 95.9 | 62% | 0.623 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.1 | -41.9 | 177 | -161.8 | 78.7 | 0 | 0 | 0 | 111.4 | D108 M109 L110 Y115 Y116 | D108-L112 WeakPolarHBondContact O-CB 3.42Å; D108-L112 PolarHBondContact O-N 2.78Å; M109-L112 PolarHBondContact O-N 2.82Å; L110-L112 VanDerWaalsContact C-N 3.33Å; L110-L112 PolarHBondContact O-N 3.44Å; L112-Y115 PolarHBondContact O-N 3.18Å; L112-Y116 WeakPolarHBondContact O-CB 3.48Å; L112-Y116 PolarHBondContact O-N 3.48Å |
| 113 | Y | 75.1 | Confident | 71.5 | Confident | 78 Ų | 78 | 95.7 Ų | 95.7 | 31% | 0.306 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 176.5 | -174.5 | -104.1 | 0 | 0 | 0 | 111.9 | I34 M109 L110 Y116 N117 | I34-Y113 HydrophobicContact CG2-CE1 4.07Å; M109-Y113 WeakPolarHBondContact O-CB 3.3Å; M109-Y113 PolarHBondContact O-N 3.45Å; L110-Y113 PolarHBondContact O-N 3.25Å; Y113-Y116 PolarHBondContact O-N 2.73Å; Y113-N117 WeakPolarHBondContact CD1-ND2 3.28Å; Y113-N117 WeakPolarHBondContact CE1-ND2 3Å; Y113-N117 PolarHBondContact O-N 2.72Å; Y113-N117 PolarHBondContact O-ND2 3.25Å |
| 114 | L | 78.5 | Confident | 72.5 | Confident | 60 Ų | 60 | 93.8 Ų | 93.8 | 31% | 0.314 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65 | -42.9 | 176.5 | -71.7 | 158.5 | 0 | 0 | 0 | 111.5 | L110 L111 Y116 N117 L118 F147 | L110-L114 WeakPolarHBondContact O-CB 3.26Å; L110-L114 VanDerWaalsContact O-CD1 3.28Å; L110-L114 WeakPolarHBondContact O-CD1 3.17Å; L110-L114 WeakPolarHBondContact O-CG 3.13Å; L110-L114 PolarHBondContact O-N 2.85Å; L111-L114 PolarHBondContact O-N 2.74Å; L114-Y116 VanDerWaalsContact C-N 3.32Å; L114-Y116 PolarHBondContact O-N 3.27Å; L114-N117 PolarHBondContact O-N 3.43Å; L114-L118 VanDerWaalsContact O-CB 3.3Å; L114-L118 WeakPolarHBondContact O-CB 3.21Å; L114-L118 PolarHBondContact O-N 3.12Å; L114-F147 HydrophobicContact CD1-CD2 4.5Å; L114-F147 HydrophobicContact CD1-CE2 3.41Å; L114-F147 VanDerWaalsContact CD1-CE2 3.41Å; L114-F147 HydrophobicContact CD1-CZ 3.95Å; L114-F147 HydrophobicContact CD2-CD2 3.98Å; L114-F147 HydrophobicContact CD2-CE2 3.58Å; L114-F147 HydrophobicContact CG-CE2 4.04Å |
| 115 | Y | 80.6 | Confident | 72.5 | Confident | 148 Ų | 148 | 91.6 Ų | 91.6 | 58% | 0.58 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -61.2 | -42.5 | 173.9 | -177.6 | -96.9 | 0 | 0 | 0 | 110.9 | L111 L112 L118 L119 | L111-Y115 WeakPolarHBondContact O-CB 3.42Å; L111-Y115 PolarHBondContact O-N 3.46Å; L112-Y115 PolarHBondContact O-N 3.18Å; Y115-L118 PolarHBondContact O-N 3.42Å; Y115-L119 HydrophobicContact CE1-CD2 4.17Å; Y115-L119 WeakPolarHBondContact O-CB 3.48Å; Y115-L119 PolarHBondContact O-N 3.45Å |
| 116 | Y | 79.1 | Confident | 72.2 | Confident | 152 Ų | 152 | 91.1 Ų | 91.1 | 60% | 0.596 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.3 | -42.5 | 177.5 | -161.6 | -88.9 | 0 | 0 | 0 | 112 | L112 Y113 L114 L119 L120 | L112-Y116 WeakPolarHBondContact O-CB 3.48Å; L112-Y116 PolarHBondContact O-N 3.48Å; Y113-Y116 PolarHBondContact O-N 2.73Å; L114-Y116 VanDerWaalsContact C-N 3.32Å; L114-Y116 PolarHBondContact O-N 3.27Å; Y116-L119 PolarHBondContact O-N 3.11Å; Y116-L120 WeakPolarHBondContact O-CB 3.34Å; Y116-L120 PolarHBondContact O-N 2.8Å |
| 117 | N | 77.8 | Confident | 72 | Confident | 51 Ų | 51 | 95.9 Ų | 95.9 | 27% | 0.273 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.8 | -39.5 | 176.3 | -75.5 | -66.5 | 0 | 0 | 0 | 112.3 | Y113 L114 L120 L121 | Y113-N117 WeakPolarHBondContact CD1-ND2 3.28Å; Y113-N117 WeakPolarHBondContact CE1-ND2 3Å; Y113-N117 PolarHBondContact O-N 2.72Å; Y113-N117 PolarHBondContact O-ND2 3.25Å; L114-N117 PolarHBondContact O-N 3.43Å; N117-L120 PolarHBondContact O-N 3.41Å; N117-L121 VanDerWaalsContact O-CB 3.26Å; N117-L121 WeakPolarHBondContact O-CB 3.35Å; N117-L121 PolarHBondContact O-N 3.04Å |
| 118 | L | 80.9 | Confident | 71.1 | Confident | 108 Ų | 108 | 99.5 Ų | 99.5 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.8 | -44.9 | 175.4 | -174.1 | 65.9 | 0 | 0 | 0 | 110.6 | L114 Y115 L121 T122 | L114-L118 VanDerWaalsContact O-CB 3.3Å; L114-L118 WeakPolarHBondContact O-CB 3.21Å; L114-L118 PolarHBondContact O-N 3.12Å; Y115-L118 PolarHBondContact O-N 3.42Å; L118-L121 PolarHBondContact O-N 3.35Å; L118-T122 WeakPolarHBondContact O-CG2 3.49Å; L118-T122 PolarHBondContact O-N 3.14Å; L118-T122 PolarHBondContact O-OG1 3.32Å |
| 119 | L | 80.5 | Confident | 70.1 | Confident | 81 Ų | 81 | 100.7 Ų | 100.7 | 42% | 0.424 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.3 | -45.6 | 176 | -173.4 | 67.3 | 0 | 0 | 0 | 110.4 | Y115 Y116 L121 T122 A123 | Y115-L119 HydrophobicContact CE1-CD2 4.17Å; Y115-L119 WeakPolarHBondContact O-CB 3.48Å; Y115-L119 PolarHBondContact O-N 3.45Å; Y116-L119 PolarHBondContact O-N 3.11Å; L119-L121 VanDerWaalsContact C-N 3.32Å; L119-L121 PolarHBondContact O-N 2.91Å; L119-T122 WeakPolarHBondContact CA-OG1 3.27Å; L119-T122 CarbonylContact O-C 3.59Å; L119-T122 PolarHBondContact O-N 3.22Å; L119-T122 PolarHBondContact O-OG1 3.37Å; L119-A123 WeakPolarHBondContact O-CB 3.16Å; L119-A123 PolarHBondContact O-N 3.12Å |
| 120 | L | 76.9 | Confident | 69.1 | Low | 98 Ų | 98 | 101.3 Ų | 101.3 | 51% | 0.513 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63 | -38.5 | 176.9 | -170.7 | 66.1 | 0 | 0 | 0 | 111.7 | Y116 N117 A123 S124 | Y116-L120 WeakPolarHBondContact O-CB 3.34Å; Y116-L120 PolarHBondContact O-N 2.8Å; N117-L120 PolarHBondContact O-N 3.41Å; L120-A123 PolarHBondContact O-N 2.96Å; L120-S124 WeakPolarHBondContact O-CB 3.46Å; L120-S124 PolarHBondContact O-N 2.94Å |
| 121 | L | 73.1 | Confident | 68.2 | Low | 103 Ų | 103 | 105.1 Ų | 105.1 | 54% | 0.539 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -66 | -37.8 | 174.9 | -172.5 | 66.5 | 0 | 0 | 0 | 111.8 | N117 L118 L119 | N117-L121 VanDerWaalsContact O-CB 3.26Å; N117-L121 WeakPolarHBondContact O-CB 3.35Å; N117-L121 PolarHBondContact O-N 3.04Å; L118-L121 PolarHBondContact O-N 3.35Å; L119-L121 VanDerWaalsContact C-N 3.32Å; L119-L121 PolarHBondContact O-N 2.91Å |
| 122 | T | 75.5 | Confident | 67.7 | Low | 101 Ų | 101 | 103.7 Ų | 103.7 | 62% | 0.62 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -77.7 | -31.3 | 176 | 58.9 | 0 | 0 | 0 | 0 | 113.6 | L118 L119 | L118-T122 WeakPolarHBondContact O-CG2 3.49Å; L118-T122 PolarHBondContact O-N 3.14Å; L118-T122 PolarHBondContact O-OG1 3.32Å; L119-T122 WeakPolarHBondContact CA-OG1 3.27Å; L119-T122 CarbonylContact O-C 3.59Å; L119-T122 PolarHBondContact O-N 3.22Å; L119-T122 PolarHBondContact O-OG1 3.37Å |
| 123 | A | 75.3 | Confident | 67.5 | Low | 64 Ų | 64 | 103.5 Ų | 103.5 | 53% | 0.529 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -85.4 | -20.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L119 L120 T125 | L119-A123 WeakPolarHBondContact O-CB 3.16Å; L119-A123 PolarHBondContact O-N 3.12Å; L120-A123 PolarHBondContact O-N 2.96Å; A123-T125 PolarHBondContact O-N 3.13Å |
| 124 | S | 66.8 | Low | 67.4 | Low | 75 Ų | 75 | 106.7 Ų | 106.7 | 52% | 0.524 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -59.4 | 82.2 | 159.1 | 161.3 | 0 | 0 | 0 | 0 | 107.8 | L120 | L120-S124 WeakPolarHBondContact O-CB 3.46Å; L120-S124 PolarHBondContact O-N 2.94Å |
| 125 | T | 56.9 | Low | 67.2 | Low | 93 Ų | 93 | 106.6 Ų | 106.6 | 57% | 0.571 | 58% | 0.583 | S | S | * | * | trans | -26.9 | 152.7 | 169.6 | 49 | 0 | 0 | 0 | 0 | 113.5 | A123 L127 | A123-T125 PolarHBondContact O-N 3.13Å; T125-L127 PolarHBondContact O-N 3.23Å | ||
| 126 | P | 52.4 | Low | 67 | Low | 124 Ų | 124 | 103 Ų | 103 | 81% | 0.805 | 58% | 0.577 | S | S | * | * | trans | -71.1 | 72.8 | 176.8 | 34.4 | -34.8 | 0 | 0 | 0 | 108.8 | T128 | P126-T128 VanDerWaalsContact C-N 3.3Å; P126-T128 PolarHBondContact O-N 2.94Å | ||
| 127 | L | 51.2 | Low | 67.1 | Low | 122 Ų | 122 | 102.3 Ų | 102.3 | 64% | 0.639 | 58% | 0.579 | S | S | * | * | trans | -51.9 | 113.9 | 146.8 | -87 | 160.9 | 0 | 0 | 0 | 103.1 | T125 F129 | T125-L127 PolarHBondContact O-N 3.23Å; L127-F129 HydrophobicContact CB-CD2 4.09Å; L127-F129 PolarHBondContact O-N 3.49Å | ||
| 128 | T | 48.6 | Very low | 67.3 | Low | 133 Ų | 133 | 103.1 Ų | 103.1 | 82% | 0.816 | 59% | 0.586 | S | S | * | * | trans | -62 | 53.4 | 174.9 | 42.3 | 0 | 0 | 0 | 0 | 110.2 | P126 T130 | P126-T128 VanDerWaalsContact C-N 3.3Å; P126-T128 PolarHBondContact O-N 2.94Å; T128-T130 PolarHBondContact O-N 3.5Å | ||
| 129 | F | 47.6 | Very low | 67.2 | Low | 139 Ų | 139 | 102.2 Ų | 102.2 | 61% | 0.61 | 58% | 0.581 | S | S | * | * | trans | -64.4 | 98.5 | 148.5 | -85.8 | -87 | 0 | 0 | 0 | 104.7 | L127 F131 | L127-F129 HydrophobicContact CB-CD2 4.09Å; L127-F129 PolarHBondContact O-N 3.49Å; F129-F131 HydrophobicContact CB-CD2 3.56Å; F129-F131 HydrophobicContact CB-CE2 3.88Å; F129-F131 HydrophobicContact CD1-CD2 4.07Å; F129-F131 AromaticContact CD1-CE2 3.57Å; F129-F131 HydrophobicContact CD1-CE2 3.57Å; F129-F131 HydrophobicContact CD1-CZ 4.24Å; F129-F131 HydrophobicContact CE1-CE2 4.35Å; F129-F131 HydrophobicContact CG-CD2 4.09Å; F129-F131 AromaticContact CG-CE2 3.87Å; F129-F131 HydrophobicContact CG-CE2 3.87Å; F129-F131 PolarHBondContact O-N 3.19Å | ||
| 130 | T | 51.9 | Low | 67.4 | Low | 139 Ų | 139 | 102.4 Ų | 102.4 | 85% | 0.853 | 58% | 0.582 | S | S | * | * | trans | -61.6 | 60.3 | 154.2 | 32.8 | 0 | 0 | 0 | 0 | 108.6 | T128 S132 | T128-T130 PolarHBondContact O-N 3.5Å; T130-S132 PolarHBondContact O-N 3.37Å; T130-S132 VanDerWaalsContact O-N 3.15Å | ||
| 131 | F | 52.1 | Low | 67.6 | Low | 114 Ų | 114 | 105.7 Ų | 105.7 | 50% | 0.5 | 59% | 0.589 | S | S | . | * | trans | -59.2 | 121.2 | 154.1 | -86.5 | -72.1 | 0 | 0 | 0 | 104.8 | F129 T133 C135 T136 | F129-F131 HydrophobicContact CB-CD2 3.56Å; F129-F131 HydrophobicContact CB-CE2 3.88Å; F129-F131 HydrophobicContact CD1-CD2 4.07Å; F129-F131 AromaticContact CD1-CE2 3.57Å; F129-F131 HydrophobicContact CD1-CE2 3.57Å; F129-F131 HydrophobicContact CD1-CZ 4.24Å; F129-F131 HydrophobicContact CE1-CE2 4.35Å; F129-F131 HydrophobicContact CG-CD2 4.09Å; F129-F131 AromaticContact CG-CE2 3.87Å; F129-F131 HydrophobicContact CG-CE2 3.87Å; F129-F131 PolarHBondContact O-N 3.19Å; F131-T133 PolarHBondContact O-N 3.42Å; F131-C135 HydrophobicContact CB-CB 4.44Å; F131-C135 HydrophobicContact CD1-CB 4.01Å; F131-T136 HydrophobicContact CB-CG2 3.76Å | ||
| 132 | S | 66.4 | Low | 68.1 | Low | 76 Ų | 76 | 105.3 Ų | 105.3 | 53% | 0.531 | 59% | 0.586 | S | S | . | * | trans | -40.4 | 130.7 | 166.5 | 172.5 | 0 | 0 | 0 | 0 | 107.8 | T130 H134 C135 | T130-S132 PolarHBondContact O-N 3.37Å; T130-S132 VanDerWaalsContact O-N 3.15Å; S132-H134 PolarHBondContact O-N 3.38Å; S132-C135 WeakPolarHBondContact O-CB 3.2Å; S132-C135 PolarHBondContact O-N 3.47Å | ||
| 133 | T | 70.2 | Confident | 68.6 | Low | 114 Ų | 114 | 104.3 Ų | 104.3 | 70% | 0.699 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -50.3 | -23.9 | 179.5 | 46.3 | 0 | 0 | 0 | 0 | 112.1 | F131 T136 H137 | F131-T133 PolarHBondContact O-N 3.42Å; T133-T136 PolarHBondContact O-OG1 3.47Å; T133-H137 WeakPolarHBondContact O-CB 3.14Å; T133-H137 PolarHBondContact O-N 3.39Å |
| 134 | H | 74.1 | Confident | 69 | Low | 145 Ų | 145 | 106 Ų | 106 | 67% | 0.671 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.3 | -36.4 | 172.5 | -122 | -72.5 | 0 | 0 | 0 | 114.5 | S132 T138 | S132-H134 PolarHBondContact O-N 3.38Å; H134-T138 PolarHBondContact O-N 3.39Å; H134-T138 VanDerWaalsContact O-N 3.16Å; H134-T138 PolarHBondContact O-OG1 2.75Å |
| 135 | C | 73.6 | Confident | 70 | Confident | 58 Ų | 58 | 105.2 Ų | 105.2 | 39% | 0.392 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -75.1 | -44.4 | -177.1 | -166.4 | 0 | 0 | 0 | 0 | 111.5 | F131 S132 H137 T138 L139 | F131-C135 HydrophobicContact CB-CB 4.44Å; F131-C135 HydrophobicContact CD1-CB 4.01Å; S132-C135 WeakPolarHBondContact O-CB 3.2Å; S132-C135 PolarHBondContact O-N 3.47Å; C135-H137 VanDerWaalsContact C-N 3.32Å; C135-H137 PolarHBondContact O-N 2.8Å; C135-T138 PolarHBondContact O-N 3.3Å; C135-L139 PolarHBondContact O-N 2.85Å |
| 136 | T | 77.2 | Confident | 71.3 | Confident | 73 Ų | 73 | 105.3 Ų | 105.3 | 45% | 0.448 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.5 | -39.6 | 177 | 53.4 | 0 | 0 | 0 | 0 | 111.5 | F131 T133 T138 L139 L140 | F131-T136 HydrophobicContact CB-CG2 3.76Å; T133-T136 PolarHBondContact O-OG1 3.47Å; T136-T138 PolarHBondContact O-N 2.84Å; T136-L139 PolarHBondContact O-N 3.41Å; T136-L140 VanDerWaalsContact O-CB 3.27Å; T136-L140 WeakPolarHBondContact O-CB 3.36Å; T136-L140 PolarHBondContact O-N 3.45Å |
| 137 | H | 79.5 | Confident | 72.7 | Confident | 137 Ų | 137 | 102.7 Ų | 102.7 | 63% | 0.634 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.2 | -40.6 | 175.1 | -122.8 | -87.9 | 0 | 0 | 0 | 112.6 | T133 C135 Y141 | T133-H137 WeakPolarHBondContact O-CB 3.14Å; T133-H137 PolarHBondContact O-N 3.39Å; C135-H137 VanDerWaalsContact C-N 3.32Å; C135-H137 PolarHBondContact O-N 2.8Å; H137-Y141 VanDerWaalsContact O-CB 3.24Å; H137-Y141 WeakPolarHBondContact O-CB 3.32Å; H137-Y141 PolarHBondContact O-N 3.5Å |
| 138 | T | 81.9 | Confident | 74.5 | Confident | 69 Ų | 69 | 106.1 Ų | 106.1 | 42% | 0.423 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.2 | -44.2 | 178.9 | -54.6 | 0 | 0 | 0 | 0 | 110.8 | H134 C135 T136 Y141 I142 | H134-T138 PolarHBondContact O-N 3.39Å; H134-T138 VanDerWaalsContact O-N 3.16Å; H134-T138 PolarHBondContact O-OG1 2.75Å; C135-T138 PolarHBondContact O-N 3.3Å; T136-T138 PolarHBondContact O-N 2.84Å; T138-Y141 PolarHBondContact O-N 3.46Å; T138-I142 HydrophobicContact CG2-CD1 4.01Å; T138-I142 VanDerWaalsContact O-CG1 3.26Å; T138-I142 WeakPolarHBondContact O-CG1 3.28Å; T138-I142 PolarHBondContact O-N 3.37Å |
| 139 | L | 80.5 | Confident | 76.2 | Confident | 89 Ų | 89 | 102.9 Ų | 102.9 | 47% | 0.466 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65 | -44.8 | 178.3 | -167.5 | 121.8 | 0 | 0 | 0 | 111.4 | C135 T136 Y141 I142 I143 | C135-L139 PolarHBondContact O-N 2.85Å; T136-L139 PolarHBondContact O-N 3.41Å; L139-Y141 VanDerWaalsContact C-N 3.32Å; L139-Y141 PolarHBondContact O-N 3.45Å; L139-I142 PolarHBondContact O-N 2.83Å; L139-I143 HydrophobicContact CD2-CD1 3.6Å; L139-I143 HydrophobicContact CG-CD1 4.19Å; L139-I143 VanDerWaalsContact O-CG1 3.32Å; L139-I143 WeakPolarHBondContact O-CG1 3.18Å; L139-I143 PolarHBondContact O-N 2.93Å |
| 140 | L | 83.7 | Confident | 77.8 | Confident | 85 Ų | 85 | 100.3 Ų | 100.3 | 45% | 0.445 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.7 | -42.8 | 175.2 | -175 | 65.6 | 0 | 0 | 0 | 111.3 | T136 I142 I143 L144 | T136-L140 VanDerWaalsContact O-CB 3.27Å; T136-L140 WeakPolarHBondContact O-CB 3.36Å; T136-L140 PolarHBondContact O-N 3.45Å; L140-I142 PolarHBondContact O-N 3.24Å; L140-I143 PolarHBondContact O-N 2.89Å; L140-L144 HydrophobicContact CD1-CD1 4.28Å; L140-L144 HydrophobicContact CD1-CG 4.37Å; L140-L144 HydrophobicContact CG-CD1 3.93Å; L140-L144 HydrophobicContact CG-CG 4.41Å; L140-L144 WeakPolarHBondContact O-CB 3.48Å; L140-L144 VanDerWaalsContact O-CG 3.25Å; L140-L144 WeakPolarHBondContact O-CG 3.46Å; L140-L144 PolarHBondContact O-N 2.97Å |
| 141 | Y | 82 | Confident | 79.3 | Confident | 166 Ų | 166 | 97.4 Ų | 97.4 | 65% | 0.651 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.2 | -42.8 | 176.6 | -178.5 | -95.9 | 0 | 0 | 0 | 112.2 | H137 T138 L139 L144 S145 | H137-Y141 VanDerWaalsContact O-CB 3.24Å; H137-Y141 WeakPolarHBondContact O-CB 3.32Å; H137-Y141 PolarHBondContact O-N 3.5Å; T138-Y141 PolarHBondContact O-N 3.46Å; L139-Y141 VanDerWaalsContact C-N 3.32Å; L139-Y141 PolarHBondContact O-N 3.45Å; Y141-L144 PolarHBondContact O-N 3.37Å; Y141-S145 WeakPolarHBondContact O-CB 3.45Å; Y141-S145 PolarHBondContact O-N 3.47Å |
| 142 | I | 83.7 | Confident | 80.7 | Confident | 95 Ų | 95 | 95.4 Ų | 95.4 | 49% | 0.487 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.7 | -48.1 | 176.8 | -69.2 | 164.8 | 0 | 0 | 0 | 110.3 | T138 L139 L140 L144 S145 V146 | T138-I142 HydrophobicContact CG2-CD1 4.01Å; T138-I142 VanDerWaalsContact O-CG1 3.26Å; T138-I142 WeakPolarHBondContact O-CG1 3.28Å; T138-I142 PolarHBondContact O-N 3.37Å; L139-I142 PolarHBondContact O-N 2.83Å; L140-I142 PolarHBondContact O-N 3.24Å; I142-L144 PolarHBondContact O-N 3.31Å; I142-S145 PolarHBondContact O-N 2.96Å; I142-V146 HydrophobicContact CG2-CG2 4.42Å; I142-V146 VanDerWaalsContact O-CG2 3.31Å; I142-V146 WeakPolarHBondContact O-CG2 3.37Å; I142-V146 PolarHBondContact O-N 3.18Å |
| 143 | I | 84.2 | Confident | 81.4 | Confident | 81 Ų | 81 | 100.5 Ų | 100.5 | 42% | 0.415 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.4 | -48.7 | 178.6 | -67.8 | 168.5 | 0 | 0 | 0 | 110.3 | L139 L140 S145 V146 F147 | L139-I143 HydrophobicContact CD2-CD1 3.6Å; L139-I143 HydrophobicContact CG-CD1 4.19Å; L139-I143 VanDerWaalsContact O-CG1 3.32Å; L139-I143 WeakPolarHBondContact O-CG1 3.18Å; L139-I143 PolarHBondContact O-N 2.93Å; L140-I143 PolarHBondContact O-N 2.89Å; I143-S145 VanDerWaalsContact C-N 3.34Å; I143-S145 PolarHBondContact O-N 3.4Å; I143-V146 PolarHBondContact O-N 2.9Å; I143-F147 VanDerWaalsContact O-CB 3.23Å; I143-F147 WeakPolarHBondContact O-CB 3.41Å; I143-F147 PolarHBondContact O-N 2.98Å |
| 144 | L | 85.6 | Confident | 81.7 | Confident | 99 Ų | 99 | 97 Ų | 97 | 52% | 0.518 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.5 | -36.2 | 178.6 | -70.9 | 173.9 | 0 | 0 | 0 | 112.5 | L140 Y141 I142 F147 R148 | L140-L144 HydrophobicContact CD1-CD1 4.28Å; L140-L144 HydrophobicContact CD1-CG 4.37Å; L140-L144 HydrophobicContact CG-CD1 3.93Å; L140-L144 HydrophobicContact CG-CG 4.41Å; L140-L144 WeakPolarHBondContact O-CB 3.48Å; L140-L144 VanDerWaalsContact O-CG 3.25Å; L140-L144 WeakPolarHBondContact O-CG 3.46Å; L140-L144 PolarHBondContact O-N 2.97Å; Y141-L144 PolarHBondContact O-N 3.37Å; I142-L144 PolarHBondContact O-N 3.31Å; L144-F147 PolarHBondContact O-N 2.99Å; L144-R148 VanDerWaalsContact O-CB 3.24Å; L144-R148 WeakPolarHBondContact O-CB 3.13Å; L144-R148 PolarHBondContact O-N 3.31Å |
| 145 | S | 87.3 | Confident | 81.9 | Confident | 58 Ų | 58 | 94.1 Ų | 94.1 | 41% | 0.406 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.8 | -45.7 | 177.1 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | Y141 I142 I143 F147 R148 S149 | Y141-S145 WeakPolarHBondContact O-CB 3.45Å; Y141-S145 PolarHBondContact O-N 3.47Å; I142-S145 PolarHBondContact O-N 2.96Å; I143-S145 VanDerWaalsContact C-N 3.34Å; I143-S145 PolarHBondContact O-N 3.4Å; S145-F147 VanDerWaalsContact C-N 3.3Å; S145-F147 PolarHBondContact O-N 2.9Å; S145-R148 PolarHBondContact O-N 3.42Å; S145-S149 WeakPolarHBondContact O-CB 3.38Å; S145-S149 PolarHBondContact O-N 2.72Å |
| 146 | V | 84.3 | Confident | 82.2 | Confident | 96 Ų | 96 | 95.6 Ų | 95.6 | 58% | 0.582 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.5 | -45.1 | 174.4 | 172.6 | 0 | 0 | 0 | 0 | 109.7 | I142 I143 S149 F150 | I142-V146 HydrophobicContact CG2-CG2 4.42Å; I142-V146 VanDerWaalsContact O-CG2 3.31Å; I142-V146 WeakPolarHBondContact O-CG2 3.37Å; I142-V146 PolarHBondContact O-N 3.18Å; I143-V146 PolarHBondContact O-N 2.9Å; V146-S149 PolarHBondContact O-N 3.35Å; V146-F150 WeakPolarHBondContact O-CB 3.5Å; V146-F150 PolarHBondContact O-N 2.93Å |
| 147 | F | 82 | Confident | 82 | Confident | 69 Ų | 69 | 97.1 Ų | 97.1 | 30% | 0.303 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62 | -46.6 | 178.6 | -166.4 | -110.2 | 0 | 0 | 0 | 112.7 | L114 I143 L144 S145 S149 F150 L151 | L114-F147 HydrophobicContact CD1-CD2 4.5Å; L114-F147 HydrophobicContact CD1-CE2 3.41Å; L114-F147 VanDerWaalsContact CD1-CE2 3.41Å; L114-F147 HydrophobicContact CD1-CZ 3.95Å; L114-F147 HydrophobicContact CD2-CD2 3.98Å; L114-F147 HydrophobicContact CD2-CE2 3.58Å; L114-F147 HydrophobicContact CG-CE2 4.04Å; I143-F147 VanDerWaalsContact O-CB 3.23Å; I143-F147 WeakPolarHBondContact O-CB 3.41Å; I143-F147 PolarHBondContact O-N 2.98Å; L144-F147 PolarHBondContact O-N 2.99Å; S145-F147 VanDerWaalsContact C-N 3.3Å; S145-F147 PolarHBondContact O-N 2.9Å; F147-S149 VanDerWaalsContact C-N 3.34Å; F147-S149 PolarHBondContact O-N 3.24Å; F147-F150 PolarHBondContact O-N 3.09Å; F147-L151 HydrophobicContact CD1-CD1 3.71Å; F147-L151 HydrophobicContact CD1-CG 4.23Å; F147-L151 HydrophobicContact CE1-CD1 3.34Å; F147-L151 HydrophobicContact CE1-CD2 4.43Å; F147-L151 HydrophobicContact CE1-CG 3.91Å; F147-L151 HydrophobicContact CZ-CD1 3.97Å; F147-L151 HydrophobicContact CZ-CD2 4.23Å; F147-L151 HydrophobicContact CZ-CG 4.09Å; F147-L151 WeakPolarHBondContact O-CG 3.06Å; F147-L151 PolarHBondContact O-N 3.43Å |
| 148 | R | 87.9 | Confident | 81.5 | Confident | 193 Ų | 193 | 95.6 Ų | 95.6 | 73% | 0.728 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -60.5 | -43.5 | 176.5 | -175.9 | -179.7 | -178.7 | -164.8 | 1 | 111.5 | L144 S145 F150 L151 T152 | L144-R148 VanDerWaalsContact O-CB 3.24Å; L144-R148 WeakPolarHBondContact O-CB 3.13Å; L144-R148 PolarHBondContact O-N 3.31Å; S145-R148 PolarHBondContact O-N 3.42Å; R148-F150 VanDerWaalsContact C-N 3.33Å; R148-L151 PolarHBondContact O-N 3.42Å; R148-T152 WeakPolarHBondContact O-CB 3.32Å; R148-T152 PolarHBondContact O-N 3.11Å; R148-T152 PolarHBondContact O-OG1 3.03Å |
| 149 | S | 83.6 | Confident | 80.8 | Confident | 66 Ų | 66 | 97.9 Ų | 97.9 | 46% | 0.462 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.2 | -40.5 | 178.7 | -156.1 | 0 | 0 | 0 | 0 | 111.4 | S145 V146 F147 T152 R153 | S145-S149 WeakPolarHBondContact O-CB 3.38Å; S145-S149 PolarHBondContact O-N 2.72Å; V146-S149 PolarHBondContact O-N 3.35Å; F147-S149 VanDerWaalsContact C-N 3.34Å; F147-S149 PolarHBondContact O-N 3.24Å; S149-T152 PolarHBondContact O-N 3.42Å; S149-R153 PolarHBondContact O-N 3.42Å; S149-R153 VanDerWaalsContact O-N 3.12Å |
| 150 | F | 81.5 | Confident | 80.1 | Confident | 84 Ų | 84 | 97.8 Ų | 97.8 | 37% | 0.368 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -48.8 | 174.8 | -175.1 | -103.8 | 0 | 0 | 0 | 112.3 | L110 V146 F147 R148 T152 R153 I154 | L110-F150 HydrophobicContact CD1-CE1 4.31Å; L110-F150 HydrophobicContact CD1-CZ 4.08Å; V146-F150 WeakPolarHBondContact O-CB 3.5Å; V146-F150 PolarHBondContact O-N 2.93Å; F147-F150 PolarHBondContact O-N 3.09Å; R148-F150 VanDerWaalsContact C-N 3.33Å; F150-T152 VanDerWaalsContact C-N 3.28Å; F150-T152 PolarHBondContact O-N 3.32Å; F150-R153 PolarHBondContact O-N 3.38Å; F150-R153 VanDerWaalsContact O-N 3.12Å; F150-I154 HydrophobicContact CD1-CD1 3.76Å; F150-I154 HydrophobicContact CE1-CD1 3.26Å; F150-I154 HydrophobicContact CE1-CG1 4.28Å; F150-I154 HydrophobicContact CZ-CD1 3.72Å; F150-I154 HydrophobicContact CZ-CG1 4.45Å; F150-I154 PolarHBondContact O-N 3.37Å; F150-I154 VanDerWaalsContact O-N 3.11Å |
| 151 | L | 83 | Confident | 79.1 | Confident | 79 Ų | 79 | 99.3 Ų | 99.3 | 41% | 0.414 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.6 | -39.8 | 175.3 | -76 | 178.9 | 0 | 0 | 0 | 112.2 | F147 R148 R153 I154 T155 | F147-L151 HydrophobicContact CD1-CD1 3.71Å; F147-L151 HydrophobicContact CD1-CG 4.23Å; F147-L151 HydrophobicContact CE1-CD1 3.34Å; F147-L151 HydrophobicContact CE1-CD2 4.43Å; F147-L151 HydrophobicContact CE1-CG 3.91Å; F147-L151 HydrophobicContact CZ-CD1 3.97Å; F147-L151 HydrophobicContact CZ-CD2 4.23Å; F147-L151 HydrophobicContact CZ-CG 4.09Å; F147-L151 WeakPolarHBondContact O-CG 3.06Å; F147-L151 PolarHBondContact O-N 3.43Å; R148-L151 PolarHBondContact O-N 3.42Å; L151-R153 VanDerWaalsContact C-N 3.31Å; L151-R153 PolarHBondContact O-N 2.04Å; L151-I154 PolarHBondContact O-N 3.3Å; L151-T155 WeakPolarHBondContact O-CG2 3.39Å; L151-T155 PolarHBondContact O-N 3.31Å; L151-T155 PolarHBondContact O-OG1 2.92Å |
| 152 | T | 82.9 | Confident | 78.3 | Confident | 72 Ų | 72 | 96.7 Ų | 96.7 | 44% | 0.442 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.6 | -37.5 | 177.9 | -51 | 0 | 0 | 0 | 0 | 111.2 | R148 S149 F150 T155 T156 | R148-T152 WeakPolarHBondContact O-CB 3.32Å; R148-T152 PolarHBondContact O-N 3.11Å; R148-T152 PolarHBondContact O-OG1 3.03Å; S149-T152 PolarHBondContact O-N 3.42Å; F150-T152 VanDerWaalsContact C-N 3.28Å; F150-T152 PolarHBondContact O-N 3.32Å; T152-T155 WeakPolarHBondContact CA-OG1 3.48Å; T152-T155 PolarHBondContact O-OG1 3.32Å; T152-T156 VanDerWaalsContact O-CG2 3.28Å; T152-T156 WeakPolarHBondContact O-CG2 3.44Å; T152-T156 PolarHBondContact O-N 3.21Å; T152-T156 VanDerWaalsContact O-N 3.12Å; T152-T156 PolarHBondContact O-OG1 3.23Å |
| 153 | R | 80.1 | Confident | 77.3 | Confident | 182 Ų | 182 | 100 Ų | 100 | 69% | 0.687 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.5 | -43.8 | 174.1 | -73.2 | -173.8 | -166.6 | -156.8 | 2.7 | 111.7 | S149 F150 L151 T155 T156 T157 | S149-R153 PolarHBondContact O-N 3.42Å; S149-R153 VanDerWaalsContact O-N 3.12Å; F150-R153 PolarHBondContact O-N 3.38Å; F150-R153 VanDerWaalsContact O-N 3.12Å; L151-R153 VanDerWaalsContact C-N 3.31Å; L151-R153 PolarHBondContact O-N 2.04Å; R153-T155 VanDerWaalsContact C-N 3.33Å; R153-T155 PolarHBondContact O-N 3.07Å; R153-T156 WeakPolarHBondContact CA-OG1 3.45Å; R153-T156 PolarHBondContact O-N 3.06Å; R153-T156 PolarHBondContact O-OG1 3.2Å; R153-T157 PolarHBondContact O-N 2.99Å; R153-T157 PolarHBondContact O-OG1 2.82Å |
| 154 | I | 76.7 | Confident | 76.3 | Confident | 40 Ų | 40 | 103.3 Ų | 103.3 | 21% | 0.205 | 56% | 0.563 | C | S | . | * | H | α-helix | trans | -62.2 | -40.4 | 178.8 | -66.5 | 175.4 | 0 | 0 | 0 | 111.5 | F150 L151 T157 N158 | F150-I154 HydrophobicContact CD1-CD1 3.76Å; F150-I154 HydrophobicContact CE1-CD1 3.26Å; F150-I154 HydrophobicContact CE1-CG1 4.28Å; F150-I154 HydrophobicContact CZ-CD1 3.72Å; F150-I154 HydrophobicContact CZ-CG1 4.45Å; F150-I154 PolarHBondContact O-N 3.37Å; F150-I154 VanDerWaalsContact O-N 3.11Å; L151-I154 PolarHBondContact O-N 3.3Å; I154-T157 PolarHBondContact O-N 3.22Å; I154-T157 PolarHBondContact O-OG1 3.03Å; I154-N158 PolarHBondContact O-ND2 3.08Å |
| 155 | T | 79.5 | Confident | 75.4 | Confident | 86 Ų | 86 | 108.9 Ų | 108.9 | 53% | 0.528 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -68.6 | -36.2 | 178.5 | 53.3 | 0 | 0 | 0 | 0 | 111.9 | L151 T152 R153 T157 N158 T159 | L151-T155 WeakPolarHBondContact O-CG2 3.39Å; L151-T155 PolarHBondContact O-N 3.31Å; L151-T155 PolarHBondContact O-OG1 2.92Å; T152-T155 WeakPolarHBondContact CA-OG1 3.48Å; T152-T155 PolarHBondContact O-OG1 3.32Å; R153-T155 VanDerWaalsContact C-N 3.33Å; R153-T155 PolarHBondContact O-N 3.07Å; T155-T157 PolarHBondContact O-N 3.04Å; T155-N158 PolarHBondContact O-N 3Å; T155-T159 PolarHBondContact O-OG1 3.04Å |
| 156 | T | 79.2 | Confident | 74.4 | Confident | 88 Ų | 88 | 110.5 Ų | 110.5 | 54% | 0.54 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67 | -33.5 | 177.5 | 55.9 | 0 | 0 | 0 | 0 | 113.5 | T152 R153 N158 | T152-T156 VanDerWaalsContact O-CG2 3.28Å; T152-T156 WeakPolarHBondContact O-CG2 3.44Å; T152-T156 PolarHBondContact O-N 3.21Å; T152-T156 VanDerWaalsContact O-N 3.12Å; T152-T156 PolarHBondContact O-OG1 3.23Å; R153-T156 WeakPolarHBondContact CA-OG1 3.45Å; R153-T156 PolarHBondContact O-N 3.06Å; R153-T156 PolarHBondContact O-OG1 3.2Å; T156-N158 VanDerWaalsContact C-N 3.32Å; T156-N158 PolarHBondContact O-N 3.42Å |
| 157 | T | 73.1 | Confident | 73.5 | Confident | 105 Ų | 105 | 112.6 Ų | 112.6 | 64% | 0.644 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -73.5 | -23.2 | -178.6 | 50.8 | 0 | 0 | 0 | 0 | 113.6 | R153 I154 T155 | R153-T157 PolarHBondContact O-N 2.99Å; R153-T157 PolarHBondContact O-OG1 2.82Å; I154-T157 PolarHBondContact O-N 3.22Å; I154-T157 PolarHBondContact O-OG1 3.03Å; T155-T157 PolarHBondContact O-N 3.04Å |
| 158 | N | 68.6 | Low | 72.9 | Confident | 106 Ų | 106 | 119.5 Ų | 119.5 | 57% | 0.567 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | -8.1 | -178.9 | -68.2 | -25.1 | 0 | 0 | 0 | 113.7 | I154 T155 T156 S160 | I154-N158 PolarHBondContact O-ND2 3.08Å; T155-N158 PolarHBondContact O-N 3Å; T156-N158 VanDerWaalsContact C-N 3.32Å; T156-N158 PolarHBondContact O-N 3.42Å; N158-S160 PolarHBondContact O-N 3.01Å |
| 159 | T | 68 | Low | 72 | Confident | 117 Ų | 117 | 115.1 Ų | 115.1 | 72% | 0.718 | 65% | 0.648 | S | S | * | * | trans | -80.6 | 68.2 | 171.5 | -38.6 | 0 | 0 | 0 | 0 | 107.9 | T155 | T155-T159 PolarHBondContact O-OG1 3.04Š| ||
| 160 | S | 65.8 | Low | 71.3 | Confident | 86 Ų | 86 | 120.9 Ų | 120.9 | 60% | 0.601 | 67% | 0.665 | S | S | * | * | trans | -57.2 | 133.5 | 174.4 | -173 | 0 | 0 | 0 | 0 | 108.6 | N158 S162 | N158-S160 PolarHBondContact O-N 3.01Å; S160-S162 PolarHBondContact O-N 3.23Å | ||
| 161 | P | 62.8 | Low | 70.2 | Confident | 117 Ų | 117 | 124.3 Ų | 124.3 | 76% | 0.76 | 69% | 0.686 | S | S | * | * | trans | -67.3 | 84.1 | 177.1 | 27.7 | -32.7 | 0 | 0 | 0 | 109.3 | E163 | P161-E163 PolarHBondContact O-N 3.49Š| ||
| 162 | S | 64.8 | Low | 69.2 | Low | 112 Ų | 112 | 129.9 Ų | 129.9 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | trans | -75.1 | -2.2 | 175.7 | 68 | 0 | 0 | 0 | 0 | 112.9 | S160 | S160-S162 PolarHBondContact O-N 3.23Š| ||
| 163 | E | 62.5 | Low | 68.6 | Low | 165 Ų | 165 | 132.8 Ų | 132.8 | 77% | 0.771 | 74% | 0.741 | S | S | * | * | trans | -103.4 | 90.6 | 177.7 | -69.2 | -173.5 | 155 | 0 | 0 | 109.4 | P161 | P161-E163 PolarHBondContact O-N 3.49Š| ||
| 164 | N | 62.5 | Low | 68 | Low | 149 Ų | 149 | 130.2 Ų | 130.2 | 80% | 0.797 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -170.9 | 18.1 | 150.4 | -94.8 | -33.3 | 0 | 0 | 0 | 115.3 | ||
| 165 | F | 66.3 | Low | 67.5 | Low | 217 Ų | 217 | 135.2 Ų | 135.2 | 95% | 0.952 | 77% | 0.774 | S | S | * | * | trans | -103.9 | 14.8 | 173.2 | -78.3 | -73.6 | 0 | 0 | 0 | 114.7 | ||||
| 166 | A | 67.1 | Low | 66.8 | Low | 91 Ų | 91 | 138.1 Ų | 138.1 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | -102.8 | 61.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 167 | T | 65.7 | Low | 66 | Low | 141 Ų | 141 | 141.2 Ų | 141.2 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | trans | -173.4 | 71.5 | 157 | 12.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 168 | K | 69.2 | Low | 65.5 | Low | 214 Ų | 214 | 143.6 Ų | 143.6 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | trans | -143.5 | 50.3 | 154.3 | -132.3 | 179.3 | -174.2 | -177.2 | 0 | 111.5 | ||||
| 169 | A | 69.4 | Low | 65.3 | Low | 100 Ų | 100 | 146.3 Ų | 146.3 | 83% | 0.826 | 83% | 0.833 | S | S | * | * | trans | -106.8 | 79.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 170 | K | 67.8 | Low | 65.1 | Low | 187 Ų | 187 | 148.5 Ų | 148.5 | 81% | 0.813 | 84% | 0.841 | S | S | * | * | trans | -173.8 | 107.5 | 160.7 | -123.8 | 168.5 | 179.8 | 173 | 0 | 110.7 | ||||
| 171 | L | 59.4 | Low | 65 | Low | 157 Ų | 157 | 153.8 Ų | 153.8 | 82% | 0.822 | 86% | 0.861 | S | S | * | * | -178.8 | 154 | 110.8 | -115.1 | 72 | 0 | 0 | 0 | 108.7 | |||||
| 172 | P | 63 | Low | 65.2 | Low | 195 Ų | 195 | 157.1 Ų | 157.1 | 100% | 1.266 | 87% | 0.871 | S | S | * | * | trans | -73 | 0 | -145.4 | 31.5 | -38.5 | 0 | 0 | 0 | 115.7 |
Retrieved 172 of 172 residues in 23.8 ms
(Link to these results)