| 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 | 36.7 | Very low | 32.9 | Very low | 243 Ų | 243 | 151.7 Ų | 151.7 | 100% | 1.197 | 87% | 0.873 | S | S | * | * | 0 | 135.7 | 0 | -80.3 | 170.6 | 164.6 | 0 | 0 | 108.5 | |||||
| 2 | N | 30.5 | Very low | 32.4 | Very low | 159 Ų | 159 | 154.3 Ų | 154.3 | 85% | 0.85 | 87% | 0.871 | S | S | * | * | trans | -78.1 | 140.3 | -178.8 | -69 | -19.1 | 0 | 0 | 0 | 111.8 | ||||
| 3 | R | 31.6 | Very low | 32 | Very low | 254 Ų | 254 | 161.2 Ų | 161.2 | 96% | 0.958 | 88% | 0.875 | S | S | * | * | trans | -133.9 | 119.4 | 151.6 | -73.5 | -167.5 | 174.9 | -163.5 | -0.9 | 108.5 | ||||
| 4 | R | 30.4 | Very low | 31.7 | Very low | 235 Ų | 235 | 162.1 Ų | 162.1 | 89% | 0.887 | 88% | 0.878 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 145.8 | 170.4 | -63 | 177.3 | 178.3 | 170.4 | -2 | 108.9 | ||
| 5 | P | 37.9 | Very low | 31.4 | Very low | 121 Ų | 121 | 161.1 Ų | 161.1 | 79% | 0.786 | 87% | 0.872 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 159.4 | 157.3 | 32.7 | -33.4 | 0 | 0 | 0 | 110.4 | ||
| 6 | P | 39.5 | Very low | 31.5 | Very low | 127 Ų | 127 | 165.8 Ų | 165.8 | 83% | 0.825 | 87% | 0.873 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 146.6 | -172.2 | 35.3 | -34.8 | 0 | 0 | 0 | 115 | ||
| 7 | G | 31.8 | Very low | 31.8 | Very low | 79 Ų | 79 | 168.9 Ų | 168.9 | 81% | 0.814 | 87% | 0.871 | S | S | * | * | trans | 57.4 | 95.7 | 137.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 8 | S | 29.6 | Very low | 32.1 | Very low | 124 Ų | 124 | 168.1 Ų | 168.1 | 87% | 0.867 | 87% | 0.868 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 125.8 | 154.2 | 49 | 0 | 0 | 0 | 0 | 110.8 | ||
| 9 | S | 34.1 | Very low | 32.1 | Very low | 120 Ų | 120 | 168.3 Ų | 168.3 | 84% | 0.839 | 87% | 0.867 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 137.4 | 161.4 | 41.1 | 0 | 0 | 0 | 0 | 109.5 | ||
| 10 | G | 28.4 | Very low | 32.2 | Very low | 77 Ų | 77 | 166 Ų | 166 | 79% | 0.794 | 87% | 0.866 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 126.6 | -171.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q12 | G10-Q12 PolarHBondContact O-N 3.48Š|
| 11 | V | 31.2 | Very low | 32.4 | Very low | 130 Ų | 130 | 161.8 Ų | 161.8 | 79% | 0.788 | 85% | 0.847 | S | S | * | * | trans | -78.8 | 115.3 | 161.2 | 178.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 12 | Q | 27.5 | Very low | 32.5 | Very low | 182 Ų | 182 | 159.3 Ų | 159.3 | 85% | 0.85 | 83% | 0.825 | S | S | * | * | trans | -83.9 | 115.1 | -178.8 | -164.8 | 171.2 | 14.6 | 0 | 0 | 109.6 | G10 L14 | G10-Q12 PolarHBondContact O-N 3.48Å; Q12-L14 PolarHBondContact O-N 2.63Å; Q12-L14 VanDerWaalsContact O-N 3.08Å | ||
| 13 | W | 26.8 | Very low | 33 | Very low | 244 Ų | 244 | 155.5 Ų | 155.5 | 92% | 0.924 | 82% | 0.815 | S | S | * | * | trans | -68 | 106.1 | 179 | -70.5 | 89.1 | 0 | 0 | 0 | 110.7 | ||||
| 14 | L | 27.4 | Very low | 33.5 | Very low | 174 Ų | 174 | 149.1 Ų | 149.1 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | trans | -71.4 | 139.4 | 170.5 | -101.9 | 155.8 | 0 | 0 | 0 | 110.3 | Q12 | Q12-L14 PolarHBondContact O-N 2.63Å; Q12-L14 VanDerWaalsContact O-N 3.08Å | ||
| 15 | N | 27.1 | Very low | 34.2 | Very low | 148 Ų | 148 | 141.3 Ų | 141.3 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -78.7 | 139 | -161.7 | -137.6 | -18.9 | 0 | 0 | 0 | 111.9 | R17 | N15-R17 PolarHBondContact O-N 3.44Š| ||
| 16 | R | 33.9 | Very low | 34.5 | Very low | 236 Ų | 236 | 138 Ų | 138 | 89% | 0.891 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -78.6 | 82.4 | 179.4 | -173.9 | -171.5 | -82.2 | -165.8 | -5.4 | 110.9 | ||
| 17 | R | 36.5 | Very low | 35 | Very low | 219 Ų | 219 | 137.3 Ų | 137.3 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | trans | -160.5 | 153.4 | 160.7 | -121.9 | 163.3 | -80.8 | -168.7 | -4.8 | 109.7 | N15 | N15-R17 PolarHBondContact O-N 3.44Š| ||
| 18 | D | 36.7 | Very low | 36.3 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 82% | 0.824 | 72% | 0.723 | S | S | * | * | trans | 58 | 83.6 | 177.4 | -53.1 | -18.5 | 0 | 0 | 0 | 117 | ||||
| 19 | M | 31.7 | Very low | 37.6 | Very low | 171 Ų | 171 | 135 Ų | 135 | 84% | 0.842 | 71% | 0.705 | S | S | * | * | trans | -134.8 | 101.8 | 146.3 | -73.6 | -160.1 | -57.5 | 0 | 0 | 109.4 | V21 | M19-V21 HydrophobicContact CB-CG2 4.32Å; M19-V21 PolarHBondContact O-N 3.26Å | ||
| 20 | S | 34.5 | Very low | 38.4 | Very low | 122 Ų | 122 | 133.1 Ų | 133.1 | 85% | 0.853 | 69% | 0.691 | S | S | * | * | trans | -81.9 | 106.1 | 160 | -174.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 21 | V | 35.6 | Very low | 39.8 | Very low | 78 Ų | 78 | 135.9 Ų | 135.9 | 47% | 0.473 | 68% | 0.683 | S | S | . | * | trans | -84.1 | 120.1 | -173.1 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | M19 D25 L29 | M19-V21 HydrophobicContact CB-CG2 4.32Å; M19-V21 PolarHBondContact O-N 3.26Å; V21-D25 HydrophobicContact CG1-CB 3.66Å; V21-L29 HydrophobicContact CG1-CD1 4.09Å | ||
| 22 | R | 39.8 | Very low | 41.1 | Very low | 192 Ų | 192 | 137.7 Ų | 137.7 | 73% | 0.725 | 68% | 0.675 | S | S | * | * | trans | -80.5 | 163.2 | 175.6 | -69.4 | 178.5 | 170.4 | 169.6 | -4.4 | 110.6 | D24 D25 S26 | R22-D24 VanDerWaalsContact C-N 3.28Å; R22-D24 PolarHBondContact O-N 3.23Å; R22-D25 WeakPolarHBondContact CB-OD2 3.5Å; R22-D25 PolarHBondContact N-OD2 3.2Å; R22-D25 WeakPolarHBondContact O-CB 3.42Å; R22-D25 PolarHBondContact O-N 3.39Å; R22-D25 VanDerWaalsContact O-N 3.07Å; R22-S26 PolarHBondContact O-N 3.01Å | ||
| 23 | A | 41 | Very low | 42.9 | Very low | 79 Ų | 79 | 131.3 Ų | 131.3 | 65% | 0.653 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -56.5 | -41.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D25 S26 | A23-D25 VanDerWaalsContact C-N 3.32Å; A23-D25 PolarHBondContact O-N 3.3Å; A23-S26 WeakPolarHBondContact O-CB 3.36Å; A23-S26 PolarHBondContact O-N 2.99Å; A23-S26 VanDerWaalsContact O-N 3.11Å; A23-S26 PolarHBondContact O-OG 3.41Å |
| 24 | D | 42 | Very low | 44.7 | Very low | 120 Ų | 120 | 124.3 Ų | 124.3 | 64% | 0.642 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -63.5 | -33.9 | 177.3 | -58.5 | -52.9 | 0 | 0 | 0 | 113.3 | R22 S26 I27 T28 | R22-D24 VanDerWaalsContact C-N 3.28Å; R22-D24 PolarHBondContact O-N 3.23Å; D24-S26 PolarHBondContact O-N 3.17Å; D24-I27 PolarHBondContact O-N 3.49Å; D24-T28 PolarHBondContact O-N 3.32Å |
| 25 | D | 45.5 | Very low | 46.6 | Very low | 71 Ų | 71 | 121.8 Ų | 121.8 | 38% | 0.38 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -63.1 | -30.2 | 176.3 | -63.2 | -49.3 | 0 | 0 | 0 | 111 | V21 R22 A23 I27 T28 L29 | V21-D25 HydrophobicContact CG1-CB 3.66Å; R22-D25 WeakPolarHBondContact CB-OD2 3.5Å; R22-D25 PolarHBondContact N-OD2 3.2Å; R22-D25 WeakPolarHBondContact O-CB 3.42Å; R22-D25 PolarHBondContact O-N 3.39Å; R22-D25 VanDerWaalsContact O-N 3.07Å; A23-D25 VanDerWaalsContact C-N 3.32Å; A23-D25 PolarHBondContact O-N 3.3Å; D25-I27 PolarHBondContact O-N 3.27Å; D25-T28 PolarHBondContact O-N 3.39Å; D25-T28 PolarHBondContact O-OG1 3.09Å; D25-T28 VanDerWaalsContact O-OG1 3.12Å; D25-L29 VanDerWaalsContact O-CB 3.23Å; D25-L29 WeakPolarHBondContact O-CB 3.49Å; D25-L29 WeakPolarHBondContact O-CD1 3.29Å; D25-L29 WeakPolarHBondContact O-CG 3.48Å; D25-L29 PolarHBondContact O-N 3.09Å |
| 26 | S | 44.6 | Very low | 48.6 | Very low | 50 Ų | 50 | 119.6 Ų | 119.6 | 35% | 0.35 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.7 | -36.7 | 179.7 | 78.1 | 0 | 0 | 0 | 0 | 113.1 | R22 A23 D24 C30 | R22-S26 PolarHBondContact O-N 3.01Å; A23-S26 WeakPolarHBondContact O-CB 3.36Å; A23-S26 PolarHBondContact O-N 2.99Å; A23-S26 VanDerWaalsContact O-N 3.11Å; A23-S26 PolarHBondContact O-OG 3.41Å; D24-S26 PolarHBondContact O-N 3.17Å; S26-C30 WeakPolarHBondContact O-CB 3.39Å; S26-C30 PolarHBondContact O-N 2.94Å |
| 27 | I | 49.9 | Very low | 50.1 | Low | 113 Ų | 113 | 109.4 Ų | 109.4 | 58% | 0.579 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69.6 | -46.1 | 177.8 | -60.5 | 174.7 | 0 | 0 | 0 | 109.4 | D24 D25 L29 C30 Q31 | D24-I27 PolarHBondContact O-N 3.49Å; D25-I27 PolarHBondContact O-N 3.27Å; I27-L29 PolarHBondContact O-N 3.1Å; I27-C30 WeakPolarHBondContact O-CB 3.28Å; I27-C30 PolarHBondContact O-N 3.11Å; I27-Q31 PolarHBondContact O-N 3.22Å |
| 28 | T | 59.2 | Low | 51.4 | Low | 61 Ų | 61 | 100.8 Ų | 100.8 | 37% | 0.374 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.6 | -32 | 179 | 68.5 | 0 | 0 | 0 | 0 | 112.6 | D24 D25 Q31 R32 | D24-T28 PolarHBondContact O-N 3.32Å; D25-T28 PolarHBondContact O-N 3.39Å; D25-T28 PolarHBondContact O-OG1 3.09Å; D25-T28 VanDerWaalsContact O-OG1 3.12Å; T28-Q31 PolarHBondContact O-N 3.23Å; T28-R32 WeakPolarHBondContact O-CB 3.47Å; T28-R32 VanDerWaalsContact O-CG 3.29Å; T28-R32 WeakPolarHBondContact O-CG 3.31Å; T28-R32 PolarHBondContact O-N 3.34Å |
| 29 | L | 56.5 | Low | 52.9 | Low | 95 Ų | 95 | 99.4 Ų | 99.4 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 169 | -85.9 | 162.6 | 0 | 0 | 0 | 111.8 | V21 D25 I27 Q31 R32 A33 | V21-L29 HydrophobicContact CG1-CD1 4.09Å; D25-L29 VanDerWaalsContact O-CB 3.23Å; D25-L29 WeakPolarHBondContact O-CB 3.49Å; D25-L29 WeakPolarHBondContact O-CD1 3.29Å; D25-L29 WeakPolarHBondContact O-CG 3.48Å; D25-L29 PolarHBondContact O-N 3.09Å; I27-L29 PolarHBondContact O-N 3.1Å; L29-Q31 VanDerWaalsContact C-N 3.33Å; L29-Q31 PolarHBondContact O-N 3.07Å; L29-R32 PolarHBondContact O-N 3.22Å; L29-A33 WeakPolarHBondContact O-CB 3.33Å; L29-A33 PolarHBondContact O-N 3.05Å |
| 30 | C | 50.2 | Low | 54.7 | Low | 79 Ų | 79 | 94.9 Ų | 94.9 | 53% | 0.534 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 176.8 | -168.8 | 0 | 0 | 0 | 0 | 111.6 | S26 I27 A33 L34 | S26-C30 WeakPolarHBondContact O-CB 3.39Å; S26-C30 PolarHBondContact O-N 2.94Å; I27-C30 WeakPolarHBondContact O-CB 3.28Å; I27-C30 PolarHBondContact O-N 3.11Å; C30-A33 PolarHBondContact O-N 3.36Å; C30-L34 PolarHBondContact O-N 3.3Å |
| 31 | Q | 58 | Low | 56 | Low | 136 Ų | 136 | 89.9 Ų | 89.9 | 64% | 0.636 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.9 | -41.3 | 178.4 | -160.7 | 172 | 18.3 | 0 | 0 | 112 | I27 T28 L29 L34 Q35 | I27-Q31 PolarHBondContact O-N 3.22Å; T28-Q31 PolarHBondContact O-N 3.23Å; L29-Q31 VanDerWaalsContact C-N 3.33Å; L29-Q31 PolarHBondContact O-N 3.07Å; Q31-L34 PolarHBondContact O-N 3.41Å; Q31-Q35 PolarHBondContact O-N 2.86Å; Q31-Q35 VanDerWaalsContact O-N 3.08Å |
| 32 | R | 58.4 | Low | 57.4 | Low | 167 Ų | 167 | 92.6 Ų | 92.6 | 63% | 0.63 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.7 | -40.2 | 172.8 | -74.9 | 174.1 | 177.7 | 176.6 | 2.3 | 112.5 | T28 L29 Q35 I36 | T28-R32 WeakPolarHBondContact O-CB 3.47Å; T28-R32 VanDerWaalsContact O-CG 3.29Å; T28-R32 WeakPolarHBondContact O-CG 3.31Å; T28-R32 PolarHBondContact O-N 3.34Å; L29-R32 PolarHBondContact O-N 3.22Å; R32-Q35 PolarHBondContact O-N 3.25Å; R32-I36 WeakPolarHBondContact O-CG1 3.35Å; R32-I36 PolarHBondContact O-N 2.85Å |
| 33 | A | 65.3 | Low | 58.9 | Low | 48 Ų | 48 | 86.5 Ų | 86.5 | 40% | 0.397 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L29 C30 Q35 I36 V37 | L29-A33 WeakPolarHBondContact O-CB 3.33Å; L29-A33 PolarHBondContact O-N 3.05Å; C30-A33 PolarHBondContact O-N 3.36Å; A33-Q35 VanDerWaalsContact C-N 3.3Å; A33-Q35 PolarHBondContact O-N 3.16Å; A33-I36 PolarHBondContact O-N 3.33Å; A33-V37 WeakPolarHBondContact O-CG2 3.42Å; A33-V37 PolarHBondContact O-N 3.38Å |
| 34 | L | 65.4 | Low | 59.6 | Low | 98 Ų | 98 | 85.6 Ų | 85.6 | 51% | 0.513 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.2 | -40.5 | 174.4 | -166.4 | 76.3 | 0 | 0 | 0 | 111.6 | C30 Q31 V37 T38 I54 | C30-L34 PolarHBondContact O-N 3.3Å; Q31-L34 PolarHBondContact O-N 3.41Å; L34-V37 PolarHBondContact O-N 3.24Å; L34-T38 WeakPolarHBondContact O-CB 3.2Å; L34-T38 PolarHBondContact O-N 3.22Å; L34-T38 PolarHBondContact O-OG1 2.97Å; L34-I54 HydrophobicContact CD1-CG2 4.35Å |
| 35 | Q | 65.8 | Low | 60.6 | Low | 120 Ų | 120 | 87.1 Ų | 87.1 | 56% | 0.561 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -67.9 | -39.1 | 177.8 | -169.6 | 169.3 | -5 | 0 | 0 | 112.6 | Q31 R32 A33 T38 E39 | Q31-Q35 PolarHBondContact O-N 2.86Å; Q31-Q35 VanDerWaalsContact O-N 3.08Å; R32-Q35 PolarHBondContact O-N 3.25Å; A33-Q35 VanDerWaalsContact C-N 3.3Å; A33-Q35 PolarHBondContact O-N 3.16Å; Q35-T38 WeakPolarHBondContact O-CB 3.25Å; Q35-T38 PolarHBondContact O-N 3.07Å; Q35-E39 PolarHBondContact O-N 3.49Å |
| 36 | I | 70.8 | Confident | 61.2 | Low | 102 Ų | 102 | 86.8 Ų | 86.8 | 52% | 0.523 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.6 | -44.1 | 174.6 | -68.6 | 163.2 | 0 | 0 | 0 | 111.1 | R32 A33 T38 E39 L40 | R32-I36 WeakPolarHBondContact O-CG1 3.35Å; R32-I36 PolarHBondContact O-N 2.85Å; A33-I36 PolarHBondContact O-N 3.33Å; I36-T38 VanDerWaalsContact C-N 3.27Å; I36-T38 PolarHBondContact O-N 2.92Å; I36-E39 PolarHBondContact O-N 2.87Å; I36-L40 HydrophobicContact CG2-CD1 3.97Å; I36-L40 WeakPolarHBondContact O-CG 3.03Å; I36-L40 PolarHBondContact O-N 2.82Å |
| 37 | V | 64.8 | Low | 61.8 | Low | 22 Ų | 22 | 89 Ų | 89 | 13% | 0.133 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -61 | -39.2 | 173.5 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | A33 L34 L40 C41 I54 F537 | A33-V37 WeakPolarHBondContact O-CG2 3.42Å; A33-V37 PolarHBondContact O-N 3.38Å; L34-V37 PolarHBondContact O-N 3.24Å; V37-L40 PolarHBondContact O-N 2.63Å; V37-C41 PolarHBondContact O-N 2.92Å; V37-C41 PolarHBondContact O-SG 2.93Å; V37-I54 HydrophobicContact CG1-CD1 4.11Å; V37-I54 HydrophobicContact CG1-CG2 4.25Å; V37-F537 HydrophobicContact CG2-CE2 3.98Å; V37-F537 HydrophobicContact CG2-CZ 3.76Å |
| 38 | T | 64.4 | Low | 61.8 | Low | 38 Ų | 38 | 93.9 Ų | 93.9 | 23% | 0.233 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -59.5 | -50.4 | 175.5 | -60.6 | 0 | 0 | 0 | 0 | 111.5 | L34 Q35 I36 L40 C41 L42 F55 | L34-T38 WeakPolarHBondContact O-CB 3.2Å; L34-T38 PolarHBondContact O-N 3.22Å; L34-T38 PolarHBondContact O-OG1 2.97Å; Q35-T38 WeakPolarHBondContact O-CB 3.25Å; Q35-T38 PolarHBondContact O-N 3.07Å; I36-T38 VanDerWaalsContact C-N 3.27Å; I36-T38 PolarHBondContact O-N 2.92Å; T38-L40 PolarHBondContact O-N 2.76Å; T38-C41 PolarHBondContact O-N 3.08Å; T38-L42 HydrophobicContact CG2-CD1 3.77Å; T38-L42 HydrophobicContact CG2-CG 4.46Å; T38-L42 WeakPolarHBondContact O-CB 3.33Å; T38-L42 VanDerWaalsContact O-CG 3.26Å; T38-L42 WeakPolarHBondContact O-CG 3.27Å; T38-L42 PolarHBondContact O-N 2.94Å; T38-F55 HydrophobicContact CG2-CE1 3.82Å; T38-F55 HydrophobicContact CG2-CZ 4.18Å |
| 39 | E | 68.2 | Low | 61.6 | Low | 126 Ų | 126 | 99.8 Ų | 99.8 | 59% | 0.589 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64 | -37.1 | 177.5 | -71.9 | -170.6 | 176.2 | 0 | 0 | 112.7 | Q35 I36 L42 A43 | Q35-E39 PolarHBondContact O-N 3.49Å; I36-E39 PolarHBondContact O-N 2.87Å; E39-L42 PolarHBondContact O-N 3.39Å; E39-A43 WeakPolarHBondContact O-CB 3.24Å; E39-A43 PolarHBondContact O-N 3.26Å |
| 40 | L | 68.3 | Low | 61.4 | Low | 76 Ų | 76 | 101.8 Ų | 101.8 | 40% | 0.398 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.1 | -39.2 | 178 | -71.4 | 170.1 | 0 | 0 | 0 | 113.3 | I36 V37 T38 H45 V46 | I36-L40 HydrophobicContact CG2-CD1 3.97Å; I36-L40 WeakPolarHBondContact O-CG 3.03Å; I36-L40 PolarHBondContact O-N 2.82Å; V37-L40 PolarHBondContact O-N 2.63Å; T38-L40 PolarHBondContact O-N 2.76Å; L40-H45 PolarHBondContact O-N 2.79Å; L40-V46 HydrophobicContact CB-CG2 4.27Å |
| 41 | C | 63.2 | Low | 61.4 | Low | 16 Ų | 16 | 98.2 Ų | 98.2 | 11% | 0.108 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -69.2 | -35.9 | 172.4 | -66.6 | 0 | 0 | 0 | 0 | 111.7 | V37 T38 G44 C51 F55 | V37-C41 PolarHBondContact O-N 2.92Å; V37-C41 PolarHBondContact O-SG 2.93Å; T38-C41 PolarHBondContact O-N 3.08Å; C41-G44 PolarHBondContact O-N 3.49Å; C41-C51 HydrophobicContact CB-CB 3.88Å; C41-C51 WeakPolarHBondContact CB-SG 3.45Å; C41-C51 WeakPolarHBondContact SG-CB 3.36Å; C41-C51 CovalentContact SG-SG 2.05Å; C41-C51 PolarHBondContact SG-SG 3.1Å; C41-F55 HydrophobicContact CB-CE2 4.11Å; C41-F55 HydrophobicContact CB-CZ 4.2Å |
| 42 | L | 63.8 | Low | 61 | Low | 136 Ų | 136 | 94.5 Ų | 94.5 | 71% | 0.712 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -72.5 | -34.9 | 176.7 | -73.8 | 171 | 0 | 0 | 0 | 113.2 | T38 E39 G44 | T38-L42 HydrophobicContact CG2-CD1 3.77Å; T38-L42 HydrophobicContact CG2-CG 4.46Å; T38-L42 WeakPolarHBondContact O-CB 3.33Å; T38-L42 VanDerWaalsContact O-CG 3.26Å; T38-L42 WeakPolarHBondContact O-CG 3.27Å; T38-L42 PolarHBondContact O-N 2.94Å; E39-L42 PolarHBondContact O-N 3.39Å; L42-G44 PolarHBondContact O-N 3.41Å |
| 43 | A | 71.2 | Confident | 60.6 | Low | 64 Ų | 64 | 93.9 Ų | 93.9 | 53% | 0.529 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -3.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | E39 H45 | E39-A43 WeakPolarHBondContact O-CB 3.24Å; E39-A43 PolarHBondContact O-N 3.26Å; A43-H45 VanDerWaalsContact C-N 3.31Å; A43-H45 PolarHBondContact O-N 3.02Å |
| 44 | G | 56.3 | Low | 59.9 | Low | 60 Ų | 60 | 95 Ų | 95 | 62% | 0.619 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 17.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | C41 L42 V46 | C41-G44 PolarHBondContact O-N 3.49Å; L42-G44 PolarHBondContact O-N 3.41Å; G44-V46 VanDerWaalsContact C-N 3.29Å |
| 45 | H | 63.7 | Low | 59 | Low | 151 Ų | 151 | 94.4 Ų | 94.4 | 70% | 0.699 | 49% | 0.493 | S | S | * | . | S | Bend | trans | -83.3 | -3.4 | 176.2 | -69.4 | -51.9 | 0 | 0 | 0 | 113.6 | L40 A43 | L40-H45 PolarHBondContact O-N 2.79Å; A43-H45 VanDerWaalsContact C-N 3.31Å; A43-H45 PolarHBondContact O-N 3.02Å |
| 46 | V | 57.8 | Low | 57.7 | Low | 65 Ų | 65 | 92.9 Ų | 92.9 | 39% | 0.394 | 49% | 0.494 | S | S | . | . | S | Bend | trans | -137.6 | 141.3 | -179.8 | -171.5 | 0 | 0 | 0 | 0 | 109.5 | L40 G44 R48 C51 | L40-V46 HydrophobicContact CB-CG2 4.27Å; G44-V46 VanDerWaalsContact C-N 3.29Å; V46-R48 PolarHBondContact O-N 2.77Å; V46-C51 VanDerWaalsContact CG1-SG 3.59Å |
| 47 | D | 56.6 | Low | 56.2 | Low | 96 Ų | 96 | 94.7 Ų | 94.7 | 51% | 0.513 | 50% | 0.504 | S | S | . | . | trans | -58.2 | 119.7 | 177.1 | -72.6 | -47.3 | 0 | 0 | 0 | 111.5 | E49 K50 C51 | D47-E49 PolarHBondContact O-N 2.92Å; D47-E49 VanDerWaalsContact O-N 3.13Å; D47-K50 HydrophobicContact CB-CB 4.38Å; D47-K50 HydrophobicContact CB-CD 4Å; D47-K50 HydrophobicContact CB-CG 4.09Å; D47-K50 WeakPolarHBondContact O-CB 3.35Å; D47-K50 PolarHBondContact O-N 3.21Å; D47-K50 WeakPolarHBondContact OD2-CE 3.5Å; D47-K50 IonicContact OD2-NZ 3.96Å; D47-K50 PolarHBondContact OD2-NZ 3.1Å; D47-C51 PolarHBondContact O-N 2.86Å | ||
| 48 | R | 50.3 | Low | 55.1 | Low | 215 Ų | 215 | 99.9 Ų | 99.9 | 81% | 0.811 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -60.3 | -28.8 | -175.9 | -159.8 | 179.1 | 73 | -176 | 2.9 | 113.4 | V46 K50 C51 A52 | V46-R48 PolarHBondContact O-N 2.77Å; R48-K50 VanDerWaalsContact C-N 3.3Å; R48-K50 PolarHBondContact O-N 2.96Å; R48-C51 PolarHBondContact O-N 3.22Å; R48-A52 PolarHBondContact O-N 3.11Å |
| 49 | E | 54.5 | Low | 53.7 | Low | 185 Ų | 185 | 102.3 Ų | 102.3 | 86% | 0.864 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -70.1 | -25.1 | 175.7 | -61.7 | -172.4 | 166.6 | 0 | 0 | 112.9 | D47 | D47-E49 PolarHBondContact O-N 2.92Å; D47-E49 VanDerWaalsContact O-N 3.13Å |
| 50 | K | 53.4 | Low | 52.4 | Low | 138 Ų | 138 | 98.6 Ų | 98.6 | 60% | 0.6 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -84.7 | -27.8 | 173.2 | -61.5 | 175.3 | -171.4 | 150.9 | 0 | 112.1 | D47 R48 A52 | D47-K50 HydrophobicContact CB-CB 4.38Å; D47-K50 HydrophobicContact CB-CD 4Å; D47-K50 HydrophobicContact CB-CG 4.09Å; D47-K50 WeakPolarHBondContact O-CB 3.35Å; D47-K50 PolarHBondContact O-N 3.21Å; D47-K50 WeakPolarHBondContact OD2-CE 3.5Å; D47-K50 IonicContact OD2-NZ 3.96Å; D47-K50 PolarHBondContact OD2-NZ 3.1Å; R48-K50 VanDerWaalsContact C-N 3.3Å; R48-K50 PolarHBondContact O-N 2.96Å; K50-A52 VanDerWaalsContact C-N 3.29Å |
| 51 | C | 49.5 | Very low | 51.3 | Low | 3 Ų | 3 | 99.7 Ų | 99.7 | 2% | 0.02 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -75.9 | -12.7 | 172.5 | -58.6 | 0 | 0 | 0 | 0 | 113.7 | C41 V46 D47 R48 D53 I54 F55 | C41-C51 HydrophobicContact CB-CB 3.88Å; C41-C51 WeakPolarHBondContact CB-SG 3.45Å; C41-C51 WeakPolarHBondContact SG-CB 3.36Å; C41-C51 CovalentContact SG-SG 2.05Å; C41-C51 PolarHBondContact SG-SG 3.1Å; V46-C51 VanDerWaalsContact CG1-SG 3.59Å; D47-C51 PolarHBondContact O-N 2.86Å; R48-C51 PolarHBondContact O-N 3.22Å; C51-D53 VanDerWaalsContact C-N 3.32Å; C51-D53 PolarHBondContact O-N 2.99Å; C51-I54 WeakPolarHBondContact O-CB 3.4Å; C51-I54 PolarHBondContact O-N 2.8Å; C51-F55 HydrophobicContact CB-CE2 4.08Å; C51-F55 WeakPolarHBondContact O-CD2 3.5Å |
| 52 | A | 50.2 | Low | 50.3 | Low | 59 Ų | 59 | 106 Ų | 106 | 49% | 0.488 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.3 | -35.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | R48 K50 I54 | R48-A52 PolarHBondContact O-N 3.11Å; K50-A52 VanDerWaalsContact C-N 3.29Å; A52-I54 VanDerWaalsContact C-N 3.31Å; A52-I54 PolarHBondContact O-N 3.1Å |
| 53 | D | 49.6 | Very low | 49.3 | Very low | 154 Ų | 154 | 105.1 Ų | 105.1 | 82% | 0.824 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -6.6 | 178.1 | -74.2 | -16.1 | 0 | 0 | 0 | 113.8 | C51 | C51-D53 VanDerWaalsContact C-N 3.32Å; C51-D53 PolarHBondContact O-N 2.99Å |
| 54 | I | 51 | Low | 48.5 | Very low | 72 Ų | 72 | 106.8 Ų | 106.8 | 37% | 0.369 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.2 | -32.1 | -177.4 | -56.9 | 179.4 | 0 | 0 | 0 | 111.1 | L34 V37 C51 A52 P56 | L34-I54 HydrophobicContact CD1-CG2 4.35Å; V37-I54 HydrophobicContact CG1-CD1 4.11Å; V37-I54 HydrophobicContact CG1-CG2 4.25Å; C51-I54 WeakPolarHBondContact O-CB 3.4Å; C51-I54 PolarHBondContact O-N 2.8Å; A52-I54 VanDerWaalsContact C-N 3.31Å; A52-I54 PolarHBondContact O-N 3.1Å; I54-P56 WeakPolarHBondContact O-CD 3.44Å |
| 55 | F | 45.4 | Very low | 48.6 | Very low | 85 Ų | 85 | 106.7 Ų | 106.7 | 37% | 0.373 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -90.9 | 116.5 | 178.7 | -63.4 | -74.4 | 0 | 0 | 0 | 110.7 | T38 C41 C51 | T38-F55 HydrophobicContact CG2-CE1 3.82Å; T38-F55 HydrophobicContact CG2-CZ 4.18Å; C41-F55 HydrophobicContact CB-CE2 4.11Å; C41-F55 HydrophobicContact CB-CZ 4.2Å; C51-F55 HydrophobicContact CB-CE2 4.08Å; C51-F55 WeakPolarHBondContact O-CD2 3.5Å |
| 56 | P | 39.6 | Very low | 48.4 | Very low | 87 Ų | 87 | 104.6 Ų | 104.6 | 57% | 0.565 | 54% | 0.544 | S | S | * | . | trans | -59.7 | 152.7 | 156.5 | 29.1 | -33.6 | 0 | 0 | 0 | 108.9 | I54 E58 | I54-P56 WeakPolarHBondContact O-CD 3.44Å; P56-E58 PolarHBondContact O-N 2.9Å | ||
| 57 | L | 38.4 | Very low | 48.8 | Very low | 140 Ų | 140 | 104.8 Ų | 104.8 | 73% | 0.733 | 55% | 0.548 | S | S | * | . | trans | -75.3 | 67.9 | 177.6 | -168 | 69.8 | 0 | 0 | 0 | 110.7 | S59 S60 | L57-S59 PolarHBondContact O-N 2.74Å; L57-S60 PolarHBondContact O-N 2.74Å | ||
| 58 | E | 41 | Very low | 49.5 | Very low | 132 Ų | 132 | 105.5 Ų | 105.5 | 62% | 0.617 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 15 | -172.8 | -160.8 | 125.7 | -133.5 | 0 | 0 | 113.4 | P56 S60 | P56-E58 PolarHBondContact O-N 2.9Å; E58-S60 VanDerWaalsContact C-N 3.29Å |
| 59 | S | 35.7 | Very low | 50.4 | Low | 88 Ų | 88 | 100.8 Ų | 100.8 | 62% | 0.615 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 5.4 | 165.6 | 56.4 | 0 | 0 | 0 | 0 | 113.7 | L57 | L57-S59 PolarHBondContact O-N 2.74Š|
| 60 | S | 40.9 | Very low | 51.4 | Low | 49 Ų | 49 | 95 Ų | 95 | 34% | 0.343 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -121.6 | -24.6 | -176.2 | -168.5 | 0 | 0 | 0 | 0 | 114.9 | L57 E58 I64 | L57-S60 PolarHBondContact O-N 2.74Å; E58-S60 VanDerWaalsContact C-N 3.29Å; S60-I64 WeakPolarHBondContact O-CB 3.16Å; S60-I64 VanDerWaalsContact O-CG1 3.27Å; S60-I64 WeakPolarHBondContact O-CG1 3.45Å; S60-I64 PolarHBondContact O-N 2.62Å; S60-I64 VanDerWaalsContact OG-CD1 3.28Å; S60-I64 WeakPolarHBondContact OG-CD1 3.42Å |
| 61 | I | 44.8 | Very low | 52.7 | Low | 98 Ų | 98 | 92.8 Ų | 92.8 | 50% | 0.503 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -74 | -36.1 | -171.8 | -60 | 179.4 | 0 | 0 | 0 | 112.3 | S65 | I61-S65 VanDerWaalsContact O-CB 3.32Å; I61-S65 WeakPolarHBondContact O-CB 3.36Å; I61-S65 PolarHBondContact O-N 2.97Å; I61-S65 PolarHBondContact O-OG 2.91Å |
| 62 | Q | 42.8 | Very low | 54.2 | Low | 149 Ų | 149 | 96.2 Ų | 96.2 | 70% | 0.696 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66.1 | -47.7 | 173.7 | -76.2 | -172.2 | -21.7 | 0 | 0 | 111.5 | I64 S65 I66 | Q62-I64 PolarHBondContact O-N 3.28Å; Q62-S65 PolarHBondContact O-N 3.36Å; Q62-S65 PolarHBondContact O-OG 2.86Å; Q62-S65 VanDerWaalsContact O-OG 3.08Å; Q62-I66 WeakPolarHBondContact O-CB 3.46Å; Q62-I66 VanDerWaalsContact O-CG1 3.24Å; Q62-I66 WeakPolarHBondContact O-CG1 3.38Å; Q62-I66 PolarHBondContact O-N 2.76Å |
| 63 | D | 43.1 | Very low | 55.9 | Low | 117 Ų | 117 | 98.1 Ų | 98.1 | 63% | 0.626 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.6 | -40.6 | 178.5 | -73.9 | -17.9 | 0 | 0 | 0 | 112.5 | S67 | D63-S67 WeakPolarHBondContact O-CB 3.2Å; D63-S67 PolarHBondContact O-N 2.88Å |
| 64 | I | 54.6 | Low | 57.6 | Low | 100 Ų | 100 | 92.5 Ų | 92.5 | 51% | 0.513 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.3 | -43.7 | 175.7 | -70.1 | 171 | 0 | 0 | 0 | 111.3 | S60 Q62 S67 L68 | S60-I64 WeakPolarHBondContact O-CB 3.16Å; S60-I64 VanDerWaalsContact O-CG1 3.27Å; S60-I64 WeakPolarHBondContact O-CG1 3.45Å; S60-I64 PolarHBondContact O-N 2.62Å; S60-I64 VanDerWaalsContact OG-CD1 3.28Å; S60-I64 WeakPolarHBondContact OG-CD1 3.42Å; Q62-I64 PolarHBondContact O-N 3.28Å; I64-S67 PolarHBondContact O-N 3.31Å; I64-L68 VanDerWaalsContact O-CB 3.22Å; I64-L68 WeakPolarHBondContact O-CB 3.14Å; I64-L68 PolarHBondContact O-N 2.86Å |
| 65 | S | 58 | Low | 59.3 | Low | 57 Ų | 57 | 96.3 Ų | 96.3 | 40% | 0.399 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.7 | -38.3 | -179.4 | 55.6 | 0 | 0 | 0 | 0 | 112.7 | I61 Q62 L69 | I61-S65 VanDerWaalsContact O-CB 3.32Å; I61-S65 WeakPolarHBondContact O-CB 3.36Å; I61-S65 PolarHBondContact O-N 2.97Å; I61-S65 PolarHBondContact O-OG 2.91Å; Q62-S65 PolarHBondContact O-N 3.36Å; Q62-S65 PolarHBondContact O-OG 2.86Å; Q62-S65 VanDerWaalsContact O-OG 3.08Å; S65-L69 WeakPolarHBondContact O-CB 3.3Å; S65-L69 PolarHBondContact O-N 2.82Å |
| 66 | I | 60 | Low | 61.2 | Low | 107 Ų | 107 | 95.7 Ų | 95.7 | 55% | 0.549 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.8 | -44.5 | 172.8 | -67.4 | 166.7 | 0 | 0 | 0 | 110.6 | Q62 L69 A70 | Q62-I66 WeakPolarHBondContact O-CB 3.46Å; Q62-I66 VanDerWaalsContact O-CG1 3.24Å; Q62-I66 WeakPolarHBondContact O-CG1 3.38Å; Q62-I66 PolarHBondContact O-N 2.76Å; I66-L69 PolarHBondContact O-N 2.97Å; I66-A70 WeakPolarHBondContact O-CB 3.04Å; I66-A70 PolarHBondContact O-N 3.26Å |
| 67 | S | 66.6 | Low | 63.5 | Low | 70 Ų | 70 | 93.2 Ų | 93.2 | 49% | 0.49 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 176.9 | -176.1 | 0 | 0 | 0 | 0 | 112 | D63 I64 A70 V71 | D63-S67 WeakPolarHBondContact O-CB 3.2Å; D63-S67 PolarHBondContact O-N 2.88Å; I64-S67 PolarHBondContact O-N 3.31Å; S67-A70 PolarHBondContact O-N 2.84Å; S67-V71 WeakPolarHBondContact O-CG2 3.17Å; S67-V71 PolarHBondContact O-N 3.21Å |
| 68 | L | 70.3 | Confident | 66 | Low | 111 Ų | 111 | 91.9 Ų | 91.9 | 58% | 0.581 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -71.2 | -35.4 | 179.2 | -160.4 | 135.2 | 0 | 0 | 0 | 111.9 | I64 V71 V72 | I64-L68 VanDerWaalsContact O-CB 3.22Å; I64-L68 WeakPolarHBondContact O-CB 3.14Å; I64-L68 PolarHBondContact O-N 2.86Å; L68-V71 PolarHBondContact O-N 3.26Å; L68-V72 HydrophobicContact CD2-CG2 4.32Å; L68-V72 WeakPolarHBondContact O-CB 3.41Å; L68-V72 VanDerWaalsContact O-CG2 3.29Å; L68-V72 WeakPolarHBondContact O-CG2 3.48Å; L68-V72 PolarHBondContact O-N 2.93Å |
| 69 | L | 69.6 | Low | 68.2 | Low | 115 Ų | 115 | 88 Ų | 88 | 60% | 0.602 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.5 | -43.7 | 167.3 | -89.6 | 165 | 0 | 0 | 0 | 111.9 | S65 I66 V71 V72 V73 | S65-L69 WeakPolarHBondContact O-CB 3.3Å; S65-L69 PolarHBondContact O-N 2.82Å; I66-L69 PolarHBondContact O-N 2.97Å; L69-V71 VanDerWaalsContact C-N 3.33Å; L69-V71 PolarHBondContact O-N 3.47Å; L69-V72 PolarHBondContact O-N 3.22Å; L69-V73 WeakPolarHBondContact O-CB 3.49Å; L69-V73 VanDerWaalsContact O-CG2 3.3Å; L69-V73 WeakPolarHBondContact O-CG2 3.36Å; L69-V73 PolarHBondContact O-N 3.42Å |
| 70 | A | 74.9 | Confident | 70.8 | Confident | 63 Ų | 63 | 89.7 Ų | 89.7 | 52% | 0.521 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.2 | -38.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | I66 S67 G74 | I66-A70 WeakPolarHBondContact O-CB 3.04Å; I66-A70 PolarHBondContact O-N 3.26Å; S67-A70 PolarHBondContact O-N 2.84Å; A70-G74 PolarHBondContact O-N 3.28Å |
| 71 | V | 79.8 | Confident | 73.1 | Confident | 93 Ų | 93 | 92.3 Ų | 92.3 | 56% | 0.564 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66.1 | -45.6 | 173.2 | 169.1 | 0 | 0 | 0 | 0 | 111.4 | S67 L68 L69 G74 F75 | S67-V71 WeakPolarHBondContact O-CG2 3.17Å; S67-V71 PolarHBondContact O-N 3.21Å; L68-V71 PolarHBondContact O-N 3.26Å; L69-V71 VanDerWaalsContact C-N 3.33Å; L69-V71 PolarHBondContact O-N 3.47Å; V71-G74 PolarHBondContact O-N 3.47Å; V71-F75 WeakPolarHBondContact O-CB 3.21Å; V71-F75 PolarHBondContact O-N 3.17Å |
| 72 | V | 82.6 | Confident | 75.3 | Confident | 75 Ų | 75 | 92.3 Ų | 92.3 | 46% | 0.455 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65 | -44.8 | 178.1 | 168.4 | 0 | 0 | 0 | 0 | 111.5 | L68 L69 F75 C76 | L68-V72 HydrophobicContact CD2-CG2 4.32Å; L68-V72 WeakPolarHBondContact O-CB 3.41Å; L68-V72 VanDerWaalsContact O-CG2 3.29Å; L68-V72 WeakPolarHBondContact O-CG2 3.48Å; L68-V72 PolarHBondContact O-N 2.93Å; L69-V72 PolarHBondContact O-N 3.22Å; V72-F75 PolarHBondContact O-N 2.87Å; V72-C76 WeakPolarHBondContact O-CB 3.29Å; V72-C76 PolarHBondContact O-N 3.28Å |
| 73 | V | 84.6 | Confident | 77.6 | Confident | 98 Ų | 98 | 89.3 Ų | 89.3 | 59% | 0.594 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.8 | -39.8 | 176.3 | 170.5 | 0 | 0 | 0 | 0 | 111 | L69 G77 | L69-V73 WeakPolarHBondContact O-CB 3.49Å; L69-V73 VanDerWaalsContact O-CG2 3.3Å; L69-V73 WeakPolarHBondContact O-CG2 3.36Å; L69-V73 PolarHBondContact O-N 3.42Å; V73-G77 PolarHBondContact O-N 3.22Å |
| 74 | G | 86.4 | Confident | 79.7 | Confident | 36 Ų | 36 | 87.2 Ų | 87.2 | 37% | 0.371 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | A70 V71 G77 L78 | A70-G74 PolarHBondContact O-N 3.28Å; V71-G74 PolarHBondContact O-N 3.47Å; G74-G77 PolarHBondContact O-N 3.49Å; G74-L78 WeakPolarHBondContact O-CB 3.41Å; G74-L78 PolarHBondContact O-N 3.38Å |
| 75 | F | 86.3 | Confident | 81.3 | Confident | 153 Ų | 153 | 87.6 Ų | 87.6 | 67% | 0.671 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.1 | -43 | 178.8 | -159.8 | -88.8 | 0 | 0 | 0 | 112 | V71 V72 L78 A79 | V71-F75 WeakPolarHBondContact O-CB 3.21Å; V71-F75 PolarHBondContact O-N 3.17Å; V72-F75 PolarHBondContact O-N 2.87Å; F75-L78 PolarHBondContact O-N 3.05Å; F75-A79 WeakPolarHBondContact O-CB 3.49Å; F75-A79 PolarHBondContact O-N 3.1Å |
| 76 | C | 84.6 | Confident | 82.7 | Confident | 72 Ų | 72 | 90.8 Ų | 90.8 | 49% | 0.486 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.4 | -41.1 | 170.9 | -78.4 | 0 | 0 | 0 | 0 | 112 | V72 A79 L80 | V72-C76 WeakPolarHBondContact O-CB 3.29Å; V72-C76 PolarHBondContact O-N 3.28Å; C76-A79 PolarHBondContact O-N 2.94Å; C76-L80 WeakPolarHBondContact O-CB 3.43Å; C76-L80 VanDerWaalsContact O-CG 3.29Å; C76-L80 WeakPolarHBondContact O-CG 3.3Å; C76-L80 PolarHBondContact O-N 3.42Å |
| 77 | G | 89.3 | Confident | 83.9 | Confident | 34 Ų | 34 | 89 Ų | 89 | 35% | 0.351 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V73 G74 L80 L81 | V73-G77 PolarHBondContact O-N 3.22Å; G74-G77 PolarHBondContact O-N 3.49Å; G77-L80 PolarHBondContact O-N 3.16Å; G77-L81 WeakPolarHBondContact O-CB 3.29Å; G77-L81 PolarHBondContact O-N 2.88Å |
| 78 | L | 90.2 | Very high | 84.8 | Confident | 113 Ų | 113 | 92 Ų | 92 | 59% | 0.592 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.3 | -43.7 | 173.4 | -83.8 | 165.9 | 0 | 0 | 0 | 112.3 | G74 F75 L80 L81 V82 | G74-L78 WeakPolarHBondContact O-CB 3.41Å; G74-L78 PolarHBondContact O-N 3.38Å; F75-L78 PolarHBondContact O-N 3.05Å; L78-L80 PolarHBondContact O-N 2.85Å; L78-L81 PolarHBondContact O-N 2.9Å; L78-V82 WeakPolarHBondContact O-CG2 3.47Å; L78-V82 PolarHBondContact O-N 2.78Å |
| 79 | A | 87.9 | Confident | 85.3 | Confident | 49 Ų | 49 | 94.8 Ų | 94.8 | 41% | 0.405 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F75 C76 V82 V83 | F75-A79 WeakPolarHBondContact O-CB 3.49Å; F75-A79 PolarHBondContact O-N 3.1Å; C76-A79 PolarHBondContact O-N 2.94Å; A79-V82 PolarHBondContact O-N 2.9Å; A79-V83 WeakPolarHBondContact O-CG2 3.5Å; A79-V83 PolarHBondContact O-N 3.05Å |
| 80 | L | 88.8 | Confident | 85.8 | Confident | 125 Ų | 125 | 95.8 Ų | 95.8 | 65% | 0.654 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.1 | -35.5 | 175 | -70.7 | 172.2 | 0 | 0 | 0 | 112.3 | C76 G77 L78 S84 | C76-L80 WeakPolarHBondContact O-CB 3.43Å; C76-L80 VanDerWaalsContact O-CG 3.29Å; C76-L80 WeakPolarHBondContact O-CG 3.3Å; C76-L80 PolarHBondContact O-N 3.42Å; G77-L80 PolarHBondContact O-N 3.16Å; L78-L80 PolarHBondContact O-N 2.85Å; L80-S84 WeakPolarHBondContact O-CB 3.48Å; L80-S84 PolarHBondContact O-N 3.01Å |
| 81 | L | 90.8 | Very high | 85.8 | Confident | 103 Ų | 103 | 98.2 Ų | 98.2 | 54% | 0.539 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.3 | -43.4 | 171.6 | -97.7 | 169.5 | 0 | 0 | 0 | 112.1 | G77 L78 S84 L85 | G77-L81 WeakPolarHBondContact O-CB 3.29Å; G77-L81 PolarHBondContact O-N 2.88Å; L78-L81 PolarHBondContact O-N 2.9Å; L81-S84 PolarHBondContact O-N 2.98Å; L81-L85 WeakPolarHBondContact O-CB 3.41Å; L81-L85 VanDerWaalsContact O-CG 3.26Å; L81-L85 WeakPolarHBondContact O-CG 3.45Å; L81-L85 PolarHBondContact O-N 3.23Å |
| 82 | V | 91.2 | Very high | 85.2 | Confident | 98 Ų | 98 | 95.8 Ų | 95.8 | 59% | 0.594 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.5 | -43.2 | 176.8 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | L78 A79 L85 F86 | L78-V82 WeakPolarHBondContact O-CG2 3.47Å; L78-V82 PolarHBondContact O-N 2.78Å; A79-V82 PolarHBondContact O-N 2.9Å; V82-L85 PolarHBondContact O-N 2.87Å; V82-F86 WeakPolarHBondContact O-CB 3.4Å; V82-F86 PolarHBondContact O-N 2.67Å |
| 83 | V | 89.4 | Confident | 84.2 | Confident | 87 Ų | 87 | 99.2 Ų | 99.2 | 53% | 0.527 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64.3 | -43.9 | 174.6 | 172.2 | 0 | 0 | 0 | 0 | 111 | A79 F86 V87 | A79-V83 WeakPolarHBondContact O-CG2 3.5Å; A79-V83 PolarHBondContact O-N 3.05Å; V83-F86 PolarHBondContact O-N 2.92Å; V83-V87 HydrophobicContact CG1-CG2 4.39Å; V83-V87 WeakPolarHBondContact O-CB 3.38Å; V83-V87 WeakPolarHBondContact O-CG2 3.3Å; V83-V87 PolarHBondContact O-N 2.68Å |
| 84 | S | 87.7 | Confident | 82.8 | Confident | 72 Ų | 72 | 98.4 Ų | 98.4 | 50% | 0.503 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.3 | -45.7 | 176.9 | -175.8 | 0 | 0 | 0 | 0 | 111.7 | L80 L81 F86 V87 F88 | L80-S84 WeakPolarHBondContact O-CB 3.48Å; L80-S84 PolarHBondContact O-N 3.01Å; L81-S84 PolarHBondContact O-N 2.98Å; S84-F86 PolarHBondContact O-N 2.73Å; S84-V87 PolarHBondContact O-N 2.84Å; S84-F88 WeakPolarHBondContact O-CB 3.13Å; S84-F88 PolarHBondContact O-N 2.84Å |
| 85 | L | 89.1 | Confident | 81.4 | Confident | 108 Ų | 108 | 102 Ų | 102 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.3 | -37.2 | 175.4 | -72.8 | 170 | 0 | 0 | 0 | 112.3 | L81 V82 W89 | L81-L85 WeakPolarHBondContact O-CB 3.41Å; L81-L85 VanDerWaalsContact O-CG 3.26Å; L81-L85 WeakPolarHBondContact O-CG 3.45Å; L81-L85 PolarHBondContact O-N 3.23Å; V82-L85 PolarHBondContact O-N 2.87Å; L85-W89 WeakPolarHBondContact O-CB 3.15Å; L85-W89 PolarHBondContact O-N 3.09Å |
| 86 | F | 86.1 | Confident | 79.8 | Confident | 124 Ų | 124 | 105.2 Ų | 105.2 | 54% | 0.544 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.2 | -42.6 | 174.9 | -178.2 | -96.8 | 0 | 0 | 0 | 112.1 | V82 V83 S84 K90 | V82-F86 WeakPolarHBondContact O-CB 3.4Å; V82-F86 PolarHBondContact O-N 2.67Å; V83-F86 PolarHBondContact O-N 2.92Å; S84-F86 PolarHBondContact O-N 2.73Å; F86-K90 HydrophobicContact CD1-CG 4.43Å; F86-K90 HydrophobicContact CE1-CG 4.12Å; F86-K90 HydrophobicContact CZ-CG 4.3Å; F86-K90 WeakPolarHBondContact O-CB 3.45Å; F86-K90 WeakPolarHBondContact O-CG 3.37Å; F86-K90 PolarHBondContact O-N 2.94Å |
| 87 | V | 86.1 | Confident | 78.1 | Confident | 71 Ų | 71 | 111.1 Ų | 111.1 | 43% | 0.43 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.1 | -45.1 | 175.1 | 170.1 | 0 | 0 | 0 | 0 | 110.7 | V83 S84 W89 K90 L91 | V83-V87 HydrophobicContact CG1-CG2 4.39Å; V83-V87 WeakPolarHBondContact O-CB 3.38Å; V83-V87 WeakPolarHBondContact O-CG2 3.3Å; V83-V87 PolarHBondContact O-N 2.68Å; S84-V87 PolarHBondContact O-N 2.84Å; V87-W89 PolarHBondContact O-N 2.87Å; V87-K90 CarbonylContact O-C 3.59Å; V87-K90 PolarHBondContact O-N 3.41Å; V87-L91 HydrophobicContact CG1-CD1 3.75Å; V87-L91 HydrophobicContact CG1-CG 4.31Å; V87-L91 WeakPolarHBondContact O-CB 3.45Å; V87-L91 VanDerWaalsContact O-CG 3.28Å; V87-L91 WeakPolarHBondContact O-CG 3.26Å; V87-L91 PolarHBondContact O-N 3.03Å |
| 88 | F | 85.8 | Confident | 76.1 | Confident | 132 Ų | 132 | 113.6 Ų | 113.6 | 58% | 0.579 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.9 | -45.1 | 175.4 | -173.9 | -98.6 | 0 | 0 | 0 | 111.5 | S84 K90 L91 C92 | S84-F88 WeakPolarHBondContact O-CB 3.13Å; S84-F88 PolarHBondContact O-N 2.84Å; F88-K90 VanDerWaalsContact C-N 3.34Å; F88-K90 PolarHBondContact O-N 3.37Å; F88-L91 PolarHBondContact O-N 3.03Å; F88-C92 WeakPolarHBondContact O-CB 3.3Å; F88-C92 PolarHBondContact O-N 2.43Å; F88-C92 PolarHBondContact O-SG 2.97Å; F88-C92 VanDerWaalsContact O-SG 3.41Å |
| 89 | W | 79.3 | Confident | 74.2 | Confident | 170 Ų | 170 | 116.7 Ų | 116.7 | 64% | 0.644 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -59.6 | -44.1 | 173.9 | -169.6 | 3.3 | 0 | 0 | 0 | 111.1 | L85 V87 L91 C92 W93 | L85-W89 WeakPolarHBondContact O-CB 3.15Å; L85-W89 PolarHBondContact O-N 3.09Å; V87-W89 PolarHBondContact O-N 2.87Å; W89-L91 PolarHBondContact O-N 3.14Å; W89-C92 PolarHBondContact O-N 3.08Å; W89-W93 AromaticContact CD1-CE3 3.85Å; W89-W93 HydrophobicContact CZ2-CZ3 4.4Å; W89-W93 AromaticContact NE1-CE3 3.46Å; W89-W93 AromaticContact NE1-CZ3 3.54Å; W89-W93 WeakPolarHBondContact O-CB 3.32Å; W89-W93 PolarHBondContact O-N 3.19Å |
| 90 | K | 80.6 | Confident | 72.3 | Confident | 135 Ų | 135 | 119.7 Ų | 119.7 | 59% | 0.587 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.4 | -34.5 | 175.4 | -80 | -73.2 | -176.7 | 178.6 | 0 | 114 | F86 V87 F88 P94 | F86-K90 HydrophobicContact CD1-CG 4.43Å; F86-K90 HydrophobicContact CE1-CG 4.12Å; F86-K90 HydrophobicContact CZ-CG 4.3Å; F86-K90 WeakPolarHBondContact O-CB 3.45Å; F86-K90 WeakPolarHBondContact O-CG 3.37Å; F86-K90 PolarHBondContact O-N 2.94Å; V87-K90 CarbonylContact O-C 3.59Å; V87-K90 PolarHBondContact O-N 3.41Å; F88-K90 VanDerWaalsContact C-N 3.34Å; F88-K90 PolarHBondContact O-N 3.37Å; K90-P94 WeakPolarHBondContact O-CD 3.38Å |
| 91 | L | 75.8 | Confident | 70 | Confident | 114 Ų | 114 | 121.5 Ų | 121.5 | 60% | 0.597 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -78.8 | -33.2 | 177.5 | -70.2 | 171.5 | 0 | 0 | 0 | 112.7 | V87 F88 W89 P94 | V87-L91 HydrophobicContact CG1-CD1 3.75Å; V87-L91 HydrophobicContact CG1-CG 4.31Å; V87-L91 WeakPolarHBondContact O-CB 3.45Å; V87-L91 VanDerWaalsContact O-CG 3.28Å; V87-L91 WeakPolarHBondContact O-CG 3.26Å; V87-L91 PolarHBondContact O-N 3.03Å; F88-L91 PolarHBondContact O-N 3.03Å; W89-L91 PolarHBondContact O-N 3.14Å; L91-P94 WeakPolarHBondContact O-CD 3.22Å; L91-P94 WeakPolarHBondContact O-CG 3.43Å |
| 92 | C | 66.4 | Low | 67.6 | Low | 42 Ų | 42 | 122.7 Ų | 122.7 | 28% | 0.284 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -80.5 | -23.3 | 174.4 | -67.9 | 0 | 0 | 0 | 0 | 113.2 | F88 W89 I95 W96 | F88-C92 WeakPolarHBondContact O-CB 3.3Å; F88-C92 PolarHBondContact O-N 2.43Å; F88-C92 PolarHBondContact O-SG 2.97Å; F88-C92 VanDerWaalsContact O-SG 3.41Å; W89-C92 PolarHBondContact O-N 3.08Å; C92-I95 PolarHBondContact O-N 3.46Å; C92-W96 PolarHBondContact O-N 2.77Å |
| 93 | W | 62.2 | Low | 65.2 | Low | 148 Ų | 148 | 121.6 Ų | 121.6 | 56% | 0.561 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -50.6 | -50.3 | 176.2 | -166.9 | -85 | 0 | 0 | 0 | 114.2 | W89 I95 R97 | W89-W93 AromaticContact CD1-CE3 3.85Å; W89-W93 HydrophobicContact CZ2-CZ3 4.4Å; W89-W93 AromaticContact NE1-CE3 3.46Å; W89-W93 AromaticContact NE1-CZ3 3.54Å; W89-W93 WeakPolarHBondContact O-CB 3.32Å; W89-W93 PolarHBondContact O-N 3.19Å; W93-I95 VanDerWaalsContact C-N 3.31Å; W93-I95 PolarHBondContact O-N 3.42Å; W93-R97 PolarHBondContact O-N 2.94Å |
| 94 | P | 55.7 | Low | 62.5 | Low | 80 Ų | 80 | 126.2 Ų | 126.2 | 52% | 0.519 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -68 | -27.1 | 175.1 | 27.1 | -36.1 | 0 | 0 | 0 | 113.7 | K90 L91 | K90-P94 WeakPolarHBondContact O-CD 3.38Å; L91-P94 WeakPolarHBondContact O-CD 3.22Å; L91-P94 WeakPolarHBondContact O-CG 3.43Å |
| 95 | I | 55.5 | Low | 59.9 | Low | 112 Ų | 112 | 127.4 Ų | 127.4 | 57% | 0.574 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -77.3 | -35.5 | -178.3 | -58.4 | 176.6 | 0 | 0 | 0 | 111.4 | C92 W93 S98 | C92-I95 PolarHBondContact O-N 3.46Å; W93-I95 VanDerWaalsContact C-N 3.31Å; W93-I95 PolarHBondContact O-N 3.42Å; I95-S98 PolarHBondContact O-OG 2.84Å; I95-S98 VanDerWaalsContact O-OG 3.07Å |
| 96 | W | 52.4 | Low | 57.4 | Low | 221 Ų | 221 | 129.8 Ų | 129.8 | 84% | 0.837 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -79.8 | -29.5 | 178.7 | -132.5 | -5.6 | 0 | 0 | 0 | 112.5 | C92 S98 | C92-W96 PolarHBondContact O-N 2.77Å; W96-S98 VanDerWaalsContact C-N 3.3Å; W96-S98 PolarHBondContact O-N 2.84Å |
| 97 | R | 49.3 | Very low | 54.8 | Low | 196 Ų | 196 | 130.6 Ų | 130.6 | 74% | 0.74 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -74.3 | -14.8 | 179.9 | -149.3 | 179.6 | -166.1 | -153.3 | 2.9 | 114.3 | W93 | W93-R97 PolarHBondContact O-N 2.94Å |
| 98 | S | 48.5 | Very low | 52.2 | Low | 85 Ų | 85 | 130.8 Ų | 130.8 | 59% | 0.594 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -4.4 | 179.6 | 59.2 | 0 | 0 | 0 | 0 | 114.6 | I95 W96 | I95-S98 PolarHBondContact O-OG 2.84Å; I95-S98 VanDerWaalsContact O-OG 3.07Å; W96-S98 VanDerWaalsContact C-N 3.3Å; W96-S98 PolarHBondContact O-N 2.84Å |
| 99 | K | 49.5 | Very low | 49.5 | Very low | 178 Ų | 178 | 132.5 Ų | 132.5 | 77% | 0.774 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -99 | 4.9 | 176.7 | -72.7 | -167.5 | 173.8 | -175.6 | 0 | 114.9 | ||
| 100 | T | 47.4 | Very low | 47.3 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 69% | 0.687 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -128.6 | 44.4 | -179.7 | 46.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 101 | L | 41.5 | Very low | 45.1 | Very low | 164 Ų | 164 | 131.6 Ų | 131.6 | 86% | 0.859 | 71% | 0.707 | S | S | * | * | trans | -167.1 | 74.9 | 155.7 | -106.8 | 162.9 | 0 | 0 | 0 | 110.4 | ||||
| 102 | S | 39.9 | Very low | 42.9 | Very low | 127 Ų | 127 | 129.4 Ų | 129.4 | 89% | 0.888 | 71% | 0.712 | S | S | * | * | trans | -138.2 | 72.7 | 164 | -169.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 103 | A | 39.8 | Very low | 41.2 | Very low | 75 Ų | 75 | 137.6 Ų | 137.6 | 62% | 0.62 | 74% | 0.743 | S | S | * | * | trans | -155.9 | 135.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 104 | H | 33.6 | Very low | 40.5 | Very low | 184 Ų | 184 | 135.6 Ų | 135.6 | 85% | 0.852 | 75% | 0.749 | S | S | * | * | trans | 69.7 | 110.1 | 175.1 | -65.5 | -78 | 0 | 0 | 0 | 119.9 | ||||
| 105 | A | 33.7 | Very low | 39.2 | Very low | 98 Ų | 98 | 140.8 Ų | 140.8 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | trans | 64.9 | 161.9 | 137.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 106 | E | 35.8 | Very low | 38 | Very low | 157 Ų | 157 | 139.4 Ų | 139.4 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | cis | 170.5 | 148.6 | -36.1 | -149.1 | -177.7 | -128.4 | 0 | 0 | 105.8 | ||||
| 107 | N | 31.9 | Very low | 37.7 | Very low | 141 Ų | 141 | 134.8 Ų | 134.8 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | 75.2 | 141.7 | 162.7 | -51.6 | -47.1 | 0 | 0 | 0 | 121 | ||||
| 108 | G | 30.8 | Very low | 38 | Very low | 75 Ų | 75 | 130.7 Ų | 130.7 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | trans | 90.1 | 118.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 109 | L | 30.9 | Very low | 38 | Very low | 169 Ų | 169 | 132.4 Ų | 132.4 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | cis | 75.4 | 133.8 | 26.6 | -133.4 | 71.8 | 0 | 0 | 0 | 113.1 | ||||
| 110 | H | 32.9 | Very low | 37 | Very low | 161 Ų | 161 | 130 Ų | 130 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | cis | -137.4 | -127.3 | 14.6 | -168.2 | -129.7 | 0 | 0 | 0 | 115 | ||||
| 111 | V | 32.7 | Very low | 36.2 | Very low | 125 Ų | 125 | 130 Ų | 130 | 76% | 0.758 | 79% | 0.788 | S | S | * | * | trans | -139.2 | 151 | -162.9 | 172.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 112 | G | 29.8 | Very low | 35.6 | Very low | 68 Ų | 68 | 128.2 Ų | 128.2 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | trans | 171.7 | 118.5 | 162.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 113 | F | 31.6 | Very low | 35.9 | Very low | 213 Ų | 213 | 127.5 Ų | 127.5 | 93% | 0.934 | 78% | 0.777 | S | S | * | * | trans | -144.3 | 173.7 | 160.5 | -89 | -79.2 | 0 | 0 | 0 | 106.1 | ||||
| 114 | P | 48.3 | Very low | 35.4 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 69% | 0.688 | 79% | 0.787 | S | S | * | * | cis | -140.8 | -159.7 | 12.2 | 38.5 | -14.5 | 0 | 0 | 0 | 116 | ||||
| 115 | E | 27.6 | Very low | 35.3 | Very low | 189 Ų | 189 | 129.4 Ų | 129.4 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | 93.9 | 164.5 | 145.8 | -131.9 | 155.4 | 177.6 | 0 | 0 | 122.3 | ||||
| 116 | A | 30.1 | Very low | 34.8 | Very low | 84 Ų | 84 | 133.8 Ų | 133.8 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | trans | -161.6 | -163 | -158.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 117 | P | 45.3 | Very low | 34.4 | Very low | 124 Ų | 124 | 131.3 Ų | 131.3 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | cis | -121.3 | -104.8 | -20.8 | 19.7 | 6.1 | 0 | 0 | 0 | 117.1 | ||||
| 118 | P | 56.3 | Low | 34 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | -121.1 | -160.8 | -129.1 | 44.8 | -26.2 | 0 | 0 | 0 | 113.7 | |||||
| 119 | P | 48.9 | Very low | 33.8 | Very low | 121 Ų | 121 | 136.9 Ų | 136.9 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | cis | -142.1 | 172 | 2.6 | 43.8 | -25.4 | 0 | 0 | 0 | 118.9 | ||||
| 120 | S | 28.3 | Very low | 33.7 | Very low | 127 Ų | 127 | 133 Ų | 133 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | -160.3 | 172.6 | 147.2 | 64.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 121 | S | 31.1 | Very low | 33.5 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -113 | 154.9 | -151.6 | 56.8 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 122 | T | 29.2 | Very low | 33.4 | Very low | 127 Ų | 127 | 134.1 Ų | 134.1 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -52.8 | 178.4 | 167.6 | 42.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 123 | P | 45.9 | Very low | 33.4 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | cis | -138.6 | -176.5 | -28.3 | 32.9 | -12.5 | 0 | 0 | 0 | 114.6 | ||||
| 124 | V | 28.1 | Very low | 33.4 | Very low | 137 Ų | 137 | 133.9 Ų | 133.9 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | trans | 153.7 | 152.5 | 134.2 | 163.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 125 | I | 31.5 | Very low | 32.4 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | trans | -119.3 | 137.7 | -172.3 | -61.3 | 169.6 | 0 | 0 | 0 | 110.6 | ||||
| 126 | E | 24.9 | Very low | 32.4 | Very low | 190 Ų | 190 | 137.2 Ų | 137.2 | 89% | 0.888 | 78% | 0.778 | S | S | * | * | trans | -140 | 158.8 | 161.6 | -172.9 | 165.6 | -160.7 | 0 | 0 | 111 | ||||
| 127 | C | 25.7 | Very low | 33.6 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 71% | 0.709 | 77% | 0.774 | S | S | * | * | trans | -101 | 143.7 | -174.2 | -59.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 128 | K | 23.5 | Very low | 33.7 | Very low | 196 Ų | 196 | 137.4 Ų | 137.4 | 85% | 0.852 | 77% | 0.773 | S | S | * | * | 169.9 | 129 | 125 | -95 | 165.7 | -177.3 | 174.6 | 0 | 115 | |||||
| 129 | V | 26.5 | Very low | 32.3 | Very low | 138 Ų | 138 | 140.8 Ų | 140.8 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | 57.6 | 152 | 126.5 | -171.1 | 0 | 0 | 0 | 0 | 121 | |||||
| 130 | A | 30.4 | Very low | 31.4 | Very low | 88 Ų | 88 | 140.1 Ų | 140.1 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | 89.1 | 164.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 131 | E | 29 | Very low | 31.3 | Very low | 179 Ų | 179 | 143.2 Ų | 143.2 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | cis | -158.2 | -137.8 | 4.6 | -151.5 | -171.9 | -144.1 | 0 | 0 | 114.1 | ||||
| 132 | V | 30.5 | Very low | 31.2 | Very low | 130 Ų | 130 | 143.2 Ų | 143.2 | 79% | 0.788 | 77% | 0.765 | S | S | * | * | trans | 80.4 | 121 | -176.5 | -175.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 133 | E | 29.5 | Very low | 31.2 | Very low | 113 Ų | 113 | 144.9 Ų | 144.9 | 53% | 0.528 | 77% | 0.769 | S | S | . | * | cis | -156.6 | -144.9 | -14.7 | -144.3 | -160.5 | 133.7 | 0 | 0 | 107.5 | K135 | E133-K135 WeakPolarHBondContact OE1-CE 3.48Å; E133-K135 WeakPolarHBondContact OE1-CG 3.32Å | ||
| 134 | K | 31.1 | Very low | 30.3 | Very low | 162 Ų | 162 | 143.4 Ų | 143.4 | 70% | 0.704 | 77% | 0.774 | S | S | * | * | cis | -158.4 | 92.9 | 11.1 | -156.8 | 170.7 | -155.1 | 74.6 | 0 | 115.1 | ||||
| 135 | K | 28.2 | Very low | 30.3 | Very low | 182 Ų | 182 | 148.7 Ų | 148.7 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | 71.2 | 178.9 | 149.3 | -57.8 | -165.5 | 175.1 | -172.6 | 0 | 120.9 | E133 | E133-K135 WeakPolarHBondContact OE1-CE 3.48Å; E133-K135 WeakPolarHBondContact OE1-CG 3.32Å | ||
| 136 | H | 25.9 | Very low | 30 | Very low | 183 Ų | 183 | 146 Ų | 146 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | trans | -153.2 | -159.1 | -133.3 | -145 | 41.3 | 0 | 0 | 0 | 113.7 | ||||
| 137 | P | 55.7 | Low | 30.1 | Very low | 95 Ų | 95 | 144.4 Ų | 144.4 | 62% | 0.617 | 77% | 0.772 | S | S | * | * | -116.5 | -158.8 | -129.4 | 40.7 | -18.2 | 0 | 0 | 0 | 114.5 | |||||
| 138 | P | 48.7 | Very low | 30.3 | Very low | 118 Ų | 118 | 144.9 Ų | 144.9 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | -152.6 | 169.2 | 78.8 | 39.4 | -18 | 0 | 0 | 0 | 119.4 | |||||
| 139 | E | 26.9 | Very low | 30.5 | Very low | 181 Ų | 181 | 145.3 Ų | 145.3 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | 4.2 | 164.5 | 157.6 | -51.7 | -165.9 | 126.6 | 0 | 0 | 123.8 | ||||
| 140 | V | 28.5 | Very low | 30.6 | Very low | 106 Ų | 106 | 149.3 Ų | 149.3 | 64% | 0.642 | 77% | 0.774 | S | S | * | * | -171.9 | 128.8 | 59.7 | 168.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 141 | K | 27.7 | Very low | 30.7 | Very low | 193 Ų | 193 | 153.6 Ų | 153.6 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | 60.7 | 159.9 | 152.4 | -66.6 | 173.2 | -173.5 | 171 | 0 | 120.9 | ||||
| 142 | V | 28.6 | Very low | 30.8 | Very low | 112 Ų | 112 | 154.3 Ų | 154.3 | 68% | 0.679 | 79% | 0.788 | S | S | * | * | cis | -164.1 | 151.1 | -12.8 | 128.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 143 | N | 28.1 | Very low | 30.9 | Very low | 162 Ų | 162 | 152 Ų | 152 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | 56.8 | 133.7 | 160.8 | -73.4 | -7.7 | 0 | 0 | 0 | 123.4 | ||||
| 144 | G | 27.9 | Very low | 31 | Very low | 80 Ų | 80 | 151 Ų | 151 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | 174.5 | 123.3 | 159.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 145 | R | 27.9 | Very low | 31.1 | Very low | 248 Ų | 248 | 152.5 Ų | 152.5 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | trans | -77.1 | 157.2 | 164.7 | -91 | 179.5 | 175.9 | 166.4 | -3.5 | 109.4 | ||||
| 146 | S | 25.1 | Very low | 31.4 | Very low | 104 Ų | 104 | 153.3 Ų | 153.3 | 73% | 0.727 | 82% | 0.817 | S | S | * | * | cis | -174.4 | 178.1 | -0.3 | 45.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 147 | N | 26.6 | Very low | 32.1 | Very low | 158 Ų | 158 | 152.1 Ų | 152.1 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | 101.1 | 148 | 152.1 | -139.9 | -6 | 0 | 0 | 0 | 117.5 | ||||
| 148 | V | 30 | Very low | 31.2 | Very low | 114 Ų | 114 | 152.8 Ų | 152.8 | 69% | 0.691 | 82% | 0.822 | S | S | * | * | trans | -93.2 | 140.8 | -161.7 | 177.6 | 0 | 0 | 0 | 0 | 112.3 | Y150 | V148-Y150 HydrophobicContact CG1-CD2 4.48Š| ||
| 149 | K | 28.4 | Very low | 30.5 | Very low | 205 Ų | 205 | 156 Ų | 156 | 89% | 0.891 | 83% | 0.826 | S | S | * | * | trans | -130.1 | 135.6 | 155.4 | -77.7 | -169.9 | 173.4 | -175.6 | 0 | 110.3 | ||||
| 150 | Y | 28.5 | Very low | 31.4 | Very low | 222 Ų | 222 | 154 Ų | 154 | 87% | 0.871 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 150.5 | 170.2 | -91.1 | -114.1 | 0 | 0 | 0 | 110.4 | V148 | V148-Y150 HydrophobicContact CG1-CD2 4.48Š|
| 151 | L | 31.9 | Very low | 31.8 | Very low | 179 Ų | 179 | 154.3 Ų | 154.3 | 94% | 0.937 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 137.6 | 171.9 | -95.7 | 160.1 | 0 | 0 | 0 | 111 | ||
| 152 | E | 31.8 | Very low | 32.8 | Very low | 193 Ų | 193 | 151 Ų | 151 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 142 | -179.9 | -174.8 | 173.4 | 174.8 | 0 | 0 | 110.5 | ||
| 153 | G | 31.7 | Very low | 33.5 | Very low | 81 Ų | 81 | 153.6 Ų | 153.6 | 84% | 0.835 | 84% | 0.842 | S | S | * | * | trans | -178.4 | 51.2 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 154 | A | 32.4 | Very low | 34.7 | Very low | 92 Ų | 92 | 151.3 Ų | 151.3 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | trans | -126.6 | 110.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | K156 | A154-K156 PolarHBondContact O-N 3.25Š| ||
| 155 | M | 31.9 | Very low | 36.3 | Very low | 194 Ų | 194 | 151.4 Ų | 151.4 | 96% | 0.956 | 81% | 0.814 | S | S | * | * | trans | -71.3 | 112.6 | -177.1 | -172 | 176 | -175.9 | 0 | 0 | 110.9 | ||||
| 156 | K | 35.8 | Very low | 37.7 | Very low | 200 Ų | 200 | 143 Ų | 143 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | trans | -77.9 | 138.3 | 176.8 | -78.5 | -173.5 | 175.9 | -179.5 | 0 | 111.9 | A154 | A154-K156 PolarHBondContact O-N 3.25Š| ||
| 157 | I | 40 | Very low | 39.3 | Very low | 158 Ų | 158 | 145.5 Ų | 145.5 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | -101.8 | 139.8 | 168.6 | -62.5 | 173.5 | 0 | 0 | 0 | 108.2 | ||||
| 158 | S | 37.9 | Very low | 40.7 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | 69.7 | 149.7 | 175.5 | 89.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 159 | Q | 34 | Very low | 42 | Very low | 185 Ų | 185 | 142.5 Ų | 142.5 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -133.6 | 115.1 | 162.4 | -74.1 | -176.6 | -9 | 0 | 0 | 106.9 | ||||
| 160 | T | 44.5 | Very low | 43.4 | Very low | 139 Ų | 139 | 137 Ų | 137 | 85% | 0.853 | 76% | 0.761 | S | S | * | * | trans | 168.7 | 78.3 | 151.1 | 25.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 161 | S | 37.9 | Very low | 44.9 | Very low | 112 Ų | 112 | 128.8 Ų | 128.8 | 78% | 0.783 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -161.7 | 146.7 | 160.9 | -80 | 0 | 0 | 0 | 0 | 108.8 | ||
| 162 | P | 47.2 | Very low | 45.9 | Very low | 124 Ų | 124 | 125.6 Ų | 125.6 | 81% | 0.805 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -76 | 145.4 | -176.7 | 30.6 | -34.7 | 0 | 0 | 0 | 112.5 | ||
| 163 | D | 44.5 | Very low | 47.1 | Very low | 167 Ų | 167 | 126.1 Ų | 126.1 | 89% | 0.893 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 139.7 | -179.9 | -73.4 | -62.4 | 0 | 0 | 0 | 113.1 | ||
| 164 | I | 51.9 | Low | 48.2 | Very low | 114 Ų | 114 | 127.8 Ų | 127.8 | 59% | 0.585 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 125 | 174.1 | -60.1 | 174.1 | 0 | 0 | 0 | 108.7 | V168 | I164-V168 HydrophobicContact CG2-CB 4.03Å; I164-V168 HydrophobicContact CG2-CG1 4.38Å; I164-V168 HydrophobicContact CG2-CG2 4.15Å |
| 165 | P | 62.1 | Low | 49.1 | Very low | 81 Ų | 81 | 131.6 Ų | 131.6 | 53% | 0.526 | 70% | 0.701 | S | S | . | * | P | Polyproline II helix | trans | -54.1 | 142.7 | -178.7 | -29 | 36 | 0 | 0 | 0 | 114.6 | E167 V168 | P165-E167 PolarHBondContact O-N 3.33Å; P165-E167 VanDerWaalsContact O-N 3.11Å; P165-V168 PolarHBondContact O-N 3.07Å; P165-V168 VanDerWaalsContact O-N 3.1Å |
| 166 | A | 57.8 | Low | 50.1 | Low | 72 Ų | 72 | 128.8 Ų | 128.8 | 60% | 0.595 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -58.9 | -27.8 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V168 Q169 T170 | A166-V168 PolarHBondContact O-N 3.3Å; A166-Q169 WeakPolarHBondContact O-CB 3.17Å; A166-Q169 PolarHBondContact O-N 3.35Å; A166-T170 PolarHBondContact O-N 2.83Å; A166-T170 PolarHBondContact O-OG1 2.75Å |
| 167 | E | 57.6 | Low | 50.6 | Low | 156 Ų | 156 | 124.2 Ų | 124.2 | 73% | 0.729 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -56.7 | -32.6 | 176.5 | -67 | 154.3 | -152.9 | 0 | 0 | 113.3 | P165 T170 A171 | P165-E167 PolarHBondContact O-N 3.33Å; P165-E167 VanDerWaalsContact O-N 3.11Å; E167-T170 PolarHBondContact O-OG1 2.9Å; E167-A171 WeakPolarHBondContact O-CB 3.25Å; E167-A171 PolarHBondContact O-N 3.38Å |
| 168 | V | 57.5 | Low | 51.1 | Low | 82 Ų | 82 | 123.7 Ų | 123.7 | 50% | 0.497 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -73.7 | -33.6 | 177.7 | -174.2 | 0 | 0 | 0 | 0 | 110.9 | I164 P165 A166 L172 | I164-V168 HydrophobicContact CG2-CB 4.03Å; I164-V168 HydrophobicContact CG2-CG1 4.38Å; I164-V168 HydrophobicContact CG2-CG2 4.15Å; P165-V168 PolarHBondContact O-N 3.07Å; P165-V168 VanDerWaalsContact O-N 3.1Å; A166-V168 PolarHBondContact O-N 3.3Å; V168-L172 PolarHBondContact O-N 3.18Å; V168-L172 VanDerWaalsContact O-N 3.09Å |
| 169 | Q | 56.3 | Low | 51.1 | Low | 127 Ų | 127 | 126.4 Ų | 126.4 | 59% | 0.593 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -74.4 | -35.7 | -178 | -55.3 | -172.9 | 21.1 | 0 | 0 | 112.1 | A166 R173 | A166-Q169 WeakPolarHBondContact O-CB 3.17Å; A166-Q169 PolarHBondContact O-N 3.35Å; Q169-R173 PolarHBondContact O-N 3.33Å |
| 170 | T | 57.8 | Low | 51.6 | Low | 90 Ų | 90 | 123.8 Ų | 123.8 | 55% | 0.552 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -68.7 | -43.6 | 172.2 | 47.9 | 0 | 0 | 0 | 0 | 111.4 | A166 E167 L172 R173 E174 | A166-T170 PolarHBondContact O-N 2.83Å; A166-T170 PolarHBondContact O-OG1 2.75Å; E167-T170 PolarHBondContact O-OG1 2.9Å; T170-L172 VanDerWaalsContact C-N 3.28Å; T170-L172 PolarHBondContact O-N 3.32Å; T170-R173 PolarHBondContact O-N 3.03Å; T170-E174 PolarHBondContact O-N 2.97Å |
| 171 | A | 59.8 | Low | 51.3 | Low | 49 Ų | 49 | 122.4 Ų | 122.4 | 41% | 0.405 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -60.2 | -34.5 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | E167 K175 | E167-A171 WeakPolarHBondContact O-CB 3.25Å; E167-A171 PolarHBondContact O-N 3.38Å; A171-K175 WeakPolarHBondContact O-CG 3.24Å; A171-K175 PolarHBondContact O-N 3.24Å |
| 172 | L | 54.3 | Low | 51.5 | Low | 112 Ų | 112 | 127.5 Ų | 127.5 | 59% | 0.586 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -69.9 | -43.1 | 175 | -148.7 | 79.1 | 0 | 0 | 0 | 111.9 | V168 T170 K175 I176 | V168-L172 PolarHBondContact O-N 3.18Å; V168-L172 VanDerWaalsContact O-N 3.09Å; T170-L172 VanDerWaalsContact C-N 3.28Å; T170-L172 PolarHBondContact O-N 3.32Å; L172-K175 PolarHBondContact O-N 2.81Å; L172-I176 HydrophobicContact CG-CD1 4.45Å; L172-I176 WeakPolarHBondContact O-CG1 3.32Å; L172-I176 PolarHBondContact O-N 2.97Å |
| 173 | R | 56.3 | Low | 51.2 | Low | 205 Ų | 205 | 129.3 Ų | 129.3 | 77% | 0.774 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -62.9 | -41.4 | 176.8 | -88.8 | -178.6 | 164.8 | 161 | -3.2 | 112.9 | Q169 T170 I176 S177 | Q169-R173 PolarHBondContact O-N 3.33Å; T170-R173 PolarHBondContact O-N 3.03Å; R173-I176 PolarHBondContact O-N 2.99Å; R173-S177 PolarHBondContact O-N 3Å |
| 174 | E | 54 | Low | 50.9 | Low | 115 Ų | 115 | 130 Ų | 130 | 54% | 0.537 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -62.8 | -42.2 | 176.3 | -92.7 | -142.1 | 92.1 | 0 | 0 | 112.8 | T170 I176 S177 K178 | T170-E174 PolarHBondContact O-N 2.97Å; E174-I176 VanDerWaalsContact C-N 3.32Å; E174-I176 PolarHBondContact O-N 3.07Å; E174-S177 PolarHBondContact O-N 3.44Å; E174-K178 IonicContact OE1-NZ 2.63Å; E174-K178 PolarHBondContact OE1-NZ 3.13Å |
| 175 | K | 52.2 | Low | 50.1 | Low | 173 Ų | 173 | 136.2 Ų | 136.2 | 75% | 0.752 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -64.6 | -35.4 | 179 | -76.2 | -177.3 | 176.9 | -178.5 | 0 | 112.7 | A171 L172 S177 | A171-K175 WeakPolarHBondContact O-CG 3.24Å; A171-K175 PolarHBondContact O-N 3.24Å; L172-K175 PolarHBondContact O-N 2.81Å; K175-S177 VanDerWaalsContact C-N 3.32Å |
| 176 | I | 51.8 | Low | 48.9 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 69% | 0.687 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -70.4 | -28.4 | 178.2 | -67.8 | 165.8 | 0 | 0 | 0 | 111.9 | L172 R173 E174 K178 | L172-I176 HydrophobicContact CG-CD1 4.45Å; L172-I176 WeakPolarHBondContact O-CG1 3.32Å; L172-I176 PolarHBondContact O-N 2.97Å; R173-I176 PolarHBondContact O-N 2.99Å; E174-I176 VanDerWaalsContact C-N 3.32Å; E174-I176 PolarHBondContact O-N 3.07Å; I176-K178 PolarHBondContact O-N 3.3Å |
| 177 | S | 47.2 | Very low | 48.1 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 73% | 0.734 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -1.4 | -174.3 | -154 | 0 | 0 | 0 | 0 | 115.2 | R173 E174 K175 | R173-S177 PolarHBondContact O-N 3Å; E174-S177 PolarHBondContact O-N 3.44Å; K175-S177 VanDerWaalsContact C-N 3.32Å |
| 178 | K | 49.5 | Very low | 47.2 | Very low | 146 Ų | 146 | 142.2 Ų | 142.2 | 64% | 0.635 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.4 | 17.7 | -166.1 | -77.4 | 176.1 | 172.7 | 170.1 | 0 | 116.2 | E174 I176 | E174-K178 IonicContact OE1-NZ 2.63Å; E174-K178 PolarHBondContact OE1-NZ 3.13Å; I176-K178 PolarHBondContact O-N 3.3Å |
| 179 | Q | 39.3 | Very low | 46.5 | Very low | 167 Ų | 167 | 146.1 Ų | 146.1 | 78% | 0.78 | 73% | 0.728 | S | S | * | * | trans | -138.2 | 108.4 | 170.6 | -77.9 | -166.4 | -24.2 | 0 | 0 | 114.1 | ||||
| 180 | P | 44.9 | Very low | 45.9 | Very low | 130 Ų | 130 | 146.4 Ų | 146.4 | 84% | 0.844 | 74% | 0.741 | S | S | * | * | trans | -107.4 | 83.5 | 170.5 | 36.6 | -27.5 | 0 | 0 | 0 | 111.8 | ||||
| 181 | T | 38 | Very low | 44.9 | Very low | 109 Ų | 109 | 148.1 Ų | 148.1 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | trans | -129.9 | 120.7 | 176.1 | 48.6 | 0 | 0 | 0 | 0 | 112.2 | I183 | T181-I183 PolarHBondContact O-N 2.81Š| ||
| 182 | K | 42.4 | Very low | 43.9 | Very low | 220 Ų | 220 | 150.8 Ų | 150.8 | 96% | 0.957 | 77% | 0.767 | S | S | * | * | trans | -58.6 | 127.2 | 170.2 | -78.8 | 179.3 | 173.3 | 177.7 | 0 | 110.2 | ||||
| 183 | I | 39.9 | Very low | 43 | Very low | 161 Ų | 161 | 151.4 Ų | 151.4 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | trans | -127.7 | 138.9 | 155.2 | -61.4 | -176.8 | 0 | 0 | 0 | 107.9 | T181 | T181-I183 PolarHBondContact O-N 2.81Š| ||
| 184 | Q | 37.8 | Very low | 42.1 | Very low | 181 Ų | 181 | 146.5 Ų | 146.5 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | -81.2 | 128.9 | -165.6 | -173.4 | 167.4 | -15.4 | 0 | 0 | 111.1 | Q186 | Q184-Q186 PolarHBondContact O-N 2.89Å; Q184-Q186 VanDerWaalsContact O-N 3.09Å | ||
| 185 | R | 35.7 | Very low | 41.2 | Very low | 246 Ų | 246 | 152.7 Ų | 152.7 | 93% | 0.928 | 80% | 0.796 | S | S | * | * | trans | -70.7 | 104.9 | 169.8 | -82 | -169.4 | 174.7 | -164.1 | -1.4 | 109.1 | ||||
| 186 | Q | 36.3 | Very low | 40.4 | Very low | 175 Ų | 175 | 152.4 Ų | 152.4 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -80.4 | 118.5 | 172.9 | -168.8 | 171.2 | 9.7 | 0 | 0 | 109.1 | Q184 | Q184-Q186 PolarHBondContact O-N 2.89Å; Q184-Q186 VanDerWaalsContact O-N 3.09Å | ||
| 187 | T | 40.5 | Very low | 39.6 | Very low | 134 Ų | 134 | 152.6 Ų | 152.6 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -76.5 | 123.2 | 171.6 | 40.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 188 | T | 39.7 | Very low | 39.1 | Very low | 125 Ų | 125 | 151.9 Ų | 151.9 | 77% | 0.767 | 80% | 0.795 | S | S | * | * | trans | -105.8 | 103.4 | 172.4 | 53.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 189 | E | 42.5 | Very low | 38.7 | Very low | 164 Ų | 164 | 155.4 Ų | 155.4 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | trans | -72 | 145.7 | 163.8 | -62.8 | -175.9 | 162.5 | 0 | 0 | 110 | T191 | E189-T191 VanDerWaalsContact C-N 3.32Å; E189-T191 PolarHBondContact O-N 2.89Å | ||
| 190 | P | 44.8 | Very low | 38.6 | Very low | 134 Ų | 134 | 157.4 Ų | 157.4 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | trans | -75.3 | 84.2 | 172.5 | 31.8 | -33.6 | 0 | 0 | 0 | 110.2 | ||||
| 191 | T | 35.8 | Very low | 38.4 | Very low | 125 Ų | 125 | 162.8 Ų | 162.8 | 77% | 0.767 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 137.4 | 174.7 | -53.4 | 0 | 0 | 0 | 0 | 110.7 | E189 | E189-T191 VanDerWaalsContact C-N 3.32Å; E189-T191 PolarHBondContact O-N 2.89Å |
| 192 | S | 38.7 | Very low | 38.4 | Very low | 105 Ų | 105 | 164.8 Ų | 164.8 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 136.4 | -179 | 49.5 | 0 | 0 | 0 | 0 | 112.9 | ||
| 193 | S | 36.1 | Very low | 38.3 | Very low | 125 Ų | 125 | 162.2 Ų | 162.2 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 118 | 170.6 | 55.6 | 0 | 0 | 0 | 0 | 110.5 | ||
| 194 | S | 36.7 | Very low | 38.6 | Very low | 103 Ų | 103 | 160.5 Ų | 160.5 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | trans | -126.5 | 114.9 | 179.8 | 59.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 195 | R | 34.4 | Very low | 38.6 | Very low | 244 Ų | 244 | 163.2 Ų | 163.2 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | trans | 169.4 | 110.8 | 157.4 | -95.2 | 152.8 | -167.9 | -148.2 | 1.5 | 107 | ||||
| 196 | H | 37.2 | Very low | 38.7 | Very low | 168 Ų | 168 | 160.6 Ų | 160.6 | 78% | 0.778 | 81% | 0.812 | S | S | * | * | 42.4 | 121.1 | 74.8 | -92.8 | -92.2 | 0 | 0 | 0 | 112 | |||||
| 197 | N | 33.7 | Very low | 38.7 | Very low | 137 Ų | 137 | 160.9 Ų | 160.9 | 73% | 0.733 | 82% | 0.815 | S | S | * | * | cis | -153 | 172 | 39 | -94.3 | -48.4 | 0 | 0 | 0 | 109.8 | ||||
| 198 | S | 37.9 | Very low | 38.4 | Very low | 91 Ų | 91 | 162.2 Ų | 162.2 | 64% | 0.636 | 82% | 0.817 | S | S | * | * | cis | -171.7 | 144.5 | -9 | 44.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 199 | F | 39.6 | Very low | 38.2 | Very low | 220 Ų | 220 | 163.2 Ų | 163.2 | 97% | 0.965 | 82% | 0.823 | S | S | * | * | trans | -147.1 | 130.7 | 148.7 | -105.3 | -72.4 | 0 | 0 | 0 | 110.7 | ||||
| 200 | R | 37.2 | Very low | 37.7 | Very low | 208 Ų | 208 | 160.6 Ų | 160.6 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | trans | -114.2 | 124 | -174.1 | -161.6 | -178.7 | -162 | 170.3 | 4.6 | 108.7 | ||||
| 201 | R | 41.3 | Very low | 37.7 | Very low | 243 Ų | 243 | 159.5 Ų | 159.5 | 92% | 0.917 | 82% | 0.818 | S | S | * | * | trans | -124.6 | 150 | 162 | -73.9 | -170.6 | 179.1 | 176.3 | 1.3 | 108.7 | ||||
| 202 | H | 37.7 | Very low | 37.6 | Very low | 152 Ų | 152 | 160 Ų | 160 | 70% | 0.704 | 82% | 0.821 | S | S | * | * | trans | -108.1 | 137.3 | -158.1 | -63.5 | -109 | 0 | 0 | 0 | 111.6 | ||||
| 203 | L | 41.6 | Very low | 37.5 | Very low | 166 Ų | 166 | 161.7 Ų | 161.7 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | trans | -85 | 134.7 | 162.4 | -78.9 | 82 | 0 | 0 | 0 | 109.7 | R205 | L203-R205 PolarHBondContact O-N 3.09Š| ||
| 204 | P | 44.8 | Very low | 37.3 | Very low | 124 Ų | 124 | 166 Ų | 166 | 81% | 0.805 | 83% | 0.825 | S | S | * | * | trans | -84.3 | 102.2 | 171.2 | 31.9 | -31.3 | 0 | 0 | 0 | 112 | ||||
| 205 | R | 39 | Very low | 37.1 | Very low | 238 Ų | 238 | 166.2 Ų | 166.2 | 90% | 0.898 | 83% | 0.827 | S | S | * | * | 54 | 106.1 | 127.6 | -162.3 | 171 | -167.2 | 161 | 3 | 118.7 | L203 | L203-R205 PolarHBondContact O-N 3.09Š| |||
| 206 | Q | 37.7 | Very low | 37.1 | Very low | 192 Ų | 192 | 162.2 Ų | 162.2 | 90% | 0.897 | 82% | 0.82 | S | S | * | * | trans | -57.6 | 155.6 | 157.1 | -66.4 | 167.3 | -71.6 | 0 | 0 | 111.5 | ||||
| 207 | M | 35.8 | Very low | 36.8 | Very low | 181 Ų | 181 | 159.5 Ų | 159.5 | 89% | 0.892 | 81% | 0.811 | S | S | * | * | trans | -119.9 | 128.5 | 175 | -164.6 | 174.9 | -64.5 | 0 | 0 | 110.1 | ||||
| 208 | N | 35 | Very low | 36.8 | Very low | 161 Ų | 161 | 161.2 Ų | 161.2 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | trans | -71.4 | 148.1 | 175.6 | -77.2 | -4.7 | 0 | 0 | 0 | 111 | ||||
| 209 | V | 34.4 | Very low | 36.5 | Very low | 146 Ų | 146 | 163.2 Ų | 163.2 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | trans | -111.9 | 124.4 | 162.9 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 210 | S | 33.1 | Very low | 36.9 | Very low | 110 Ų | 110 | 158.2 Ų | 158.2 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -93.5 | 136 | 179.3 | 51.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 211 | S | 42.9 | Very low | 36.5 | Very low | 111 Ų | 111 | 155.5 Ų | 155.5 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -77.8 | 144 | 176.1 | 51.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 212 | V | 34.7 | Very low | 36.1 | Very low | 136 Ų | 136 | 154 Ų | 154 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -142.8 | 129.4 | 157.1 | -173.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 213 | D | 36.8 | Very low | 35.8 | Very low | 140 Ų | 140 | 154 Ų | 154 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | trans | -82.8 | 163.7 | 178.2 | -57.7 | -76.3 | 0 | 0 | 0 | 113 | ||||
| 214 | F | 30.8 | Very low | 35.4 | Very low | 216 Ų | 216 | 151.2 Ų | 151.2 | 95% | 0.947 | 80% | 0.799 | S | S | * | * | -170.2 | 171.2 | 125.1 | -103.4 | -66.2 | 0 | 0 | 0 | 110.8 | |||||
| 215 | S | 33.2 | Very low | 35.4 | Very low | 107 Ų | 107 | 150.6 Ų | 150.6 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | -138.5 | 172 | -157.9 | -166.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 216 | M | 34.2 | Very low | 35.1 | Very low | 160 Ų | 160 | 145.8 Ų | 145.8 | 79% | 0.788 | 80% | 0.795 | S | S | * | * | trans | 86.5 | 134.9 | 160.6 | -83.7 | 164.9 | 57 | 0 | 0 | 123 | ||||
| 217 | D | 31.7 | Very low | 35.7 | Very low | 110 Ų | 110 | 143.5 Ų | 143.5 | 59% | 0.588 | 79% | 0.794 | S | S | * | * | trans | 85.8 | 176.2 | 145.5 | -86.1 | -65.6 | 0 | 0 | 0 | 123.1 | ||||
| 218 | K | 33.8 | Very low | 36 | Very low | 173 Ų | 173 | 140.1 Ų | 140.1 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | -112.4 | 146.8 | -133.4 | -62.7 | 163.2 | -175.2 | 94.2 | 0 | 116.4 | ||||
| 219 | V | 31.9 | Very low | 36.6 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | 22.6 | 134 | 129 | 178.5 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 220 | P | 46.4 | Very low | 37.4 | Very low | 114 Ų | 114 | 137.1 Ų | 137.1 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | cis | -145.5 | 162.3 | 34.4 | 26.7 | -0.8 | 0 | 0 | 0 | 120.8 | ||||
| 221 | L | 30.3 | Very low | 38.2 | Very low | 152 Ų | 152 | 143.6 Ų | 143.6 | 80% | 0.796 | 79% | 0.79 | S | S | * | * | trans | 29.6 | 116.4 | 133.2 | -161.7 | 87.1 | 0 | 0 | 0 | 122.4 | ||||
| 222 | R | 31.7 | Very low | 38.6 | Very low | 212 Ų | 212 | 144.3 Ų | 144.3 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | -177.3 | -177.7 | 114.4 | -101.5 | -166.5 | -178.5 | -135.8 | 3.2 | 115.4 | |||||
| 223 | Q | 31.6 | Very low | 39.2 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 71% | 0.71 | 77% | 0.773 | S | S | * | * | trans | -83.7 | 171.3 | -151 | -67.8 | 155.2 | -68.4 | 0 | 0 | 118.2 | ||||
| 224 | S | 32.8 | Very low | 40 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | 75.1 | 95.6 | 148.9 | 47.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 225 | S | 44.7 | Very low | 41.1 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | 56.2 | 102.3 | 124.9 | 63.5 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 226 | T | 33 | Very low | 41.6 | Very low | 137 Ų | 137 | 139.6 Ų | 139.6 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | trans | -134.4 | 153.8 | 131.7 | 51.1 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 227 | V | 51.8 | Low | 42 | Very low | 144 Ų | 144 | 140.3 Ų | 140.3 | 87% | 0.873 | 74% | 0.744 | S | S | * | * | trans | -84 | 126.5 | -177.1 | 176.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 228 | S | 41.1 | Very low | 42.5 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 77% | 0.769 | 75% | 0.745 | S | S | * | * | trans | -133 | 121.2 | 165.4 | 40.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 229 | I | 47.8 | Very low | 42.8 | Very low | 174 Ų | 174 | 141.8 Ų | 141.8 | 89% | 0.892 | 75% | 0.748 | S | S | * | * | trans | -72.3 | 144.4 | 176.7 | -69.1 | 169.6 | 0 | 0 | 0 | 108.8 | ||||
| 230 | G | 51 | Low | 43 | Very low | 71 Ų | 71 | 143 Ų | 143 | 73% | 0.732 | 74% | 0.742 | S | S | * | * | trans | 114.9 | 14.9 | 164 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 231 | R | 49.1 | Very low | 42.5 | Very low | 245 Ų | 245 | 141.9 Ų | 141.9 | 93% | 0.925 | 74% | 0.737 | S | S | * | * | trans | -89.9 | 113 | 164 | -84.8 | -173.1 | 172 | 173.1 | -0.8 | 111.5 | K233 | R231-K233 PolarHBondContact O-N 2.84Š| ||
| 232 | I | 52.3 | Low | 42.8 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 65% | 0.646 | 73% | 0.732 | S | S | * | * | trans | -59 | 125.7 | 168.2 | -65.3 | 172.1 | 0 | 0 | 0 | 108.6 | P234 Y237 | I232-P234 WeakPolarHBondContact O-CD 3.44Å; I232-Y237 HydrophobicContact CG2-CD2 3.62Å; I232-Y237 HydrophobicContact CG2-CE2 3.7Å | ||
| 233 | K | 47.1 | Very low | 42.9 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 61% | 0.613 | 72% | 0.722 | S | S | * | * | trans | -82.9 | 118.6 | 168.4 | -73.8 | -175.5 | 176.6 | -179.3 | 0 | 108.8 | R231 E235 L236 | R231-K233 PolarHBondContact O-N 2.84Å; K233-E235 PolarHBondContact O-N 3.36Å; K233-L236 HydrophobicContact CB-CB 4.4Å; K233-L236 HydrophobicContact CB-CD1 4.34Å; K233-L236 HydrophobicContact CD-CD1 4.3Å; K233-L236 PolarHBondContact O-N 3.02Å | ||
| 234 | P | 53.3 | Low | 43.2 | Very low | 93 Ų | 93 | 132.2 Ų | 132.2 | 60% | 0.604 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -58.2 | -32.5 | 176.6 | -25.3 | 35.7 | 0 | 0 | 0 | 112.7 | I232 L236 Y237 K238 | I232-P234 WeakPolarHBondContact O-CD 3.44Å; P234-L236 PolarHBondContact O-N 2.87Å; P234-Y237 CarbonylContact O-C 3.53Å; P234-Y237 WeakPolarHBondContact O-CA 2.99Å; P234-Y237 PolarHBondContact O-N 3.12Å; P234-K238 PolarHBondContact O-N 2.99Å |
| 235 | E | 54.1 | Low | 43.7 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 60% | 0.603 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -61.3 | -23.1 | 176.4 | -54.5 | -55.1 | 143.5 | 0 | 0 | 114.3 | K233 K238 | K233-E235 PolarHBondContact O-N 3.36Å; E235-K238 VanDerWaalsContact CD-NZ 3.33Å; E235-K238 IonicContact OE1-NZ 3.71Å; E235-K238 PolarHBondContact OE1-NZ 2.64Å; E235-K238 WeakPolarHBondContact OE2-CD 3.48Å; E235-K238 WeakPolarHBondContact OE2-CE 3.12Å; E235-K238 IonicContact OE2-NZ 2.73Å; E235-K238 PolarHBondContact OE2-NZ 2.96Å |
| 236 | L | 43.9 | Very low | 43.3 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 72% | 0.723 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -88.3 | -9.3 | 173.7 | -88.5 | 166.5 | 0 | 0 | 0 | 113.3 | K233 P234 | K233-L236 HydrophobicContact CB-CB 4.4Å; K233-L236 HydrophobicContact CB-CD1 4.34Å; K233-L236 HydrophobicContact CD-CD1 4.3Å; K233-L236 PolarHBondContact O-N 3.02Å; P234-L236 PolarHBondContact O-N 2.87Å |
| 237 | Y | 43.3 | Very low | 43.5 | Very low | 175 Ų | 175 | 138.8 Ų | 138.8 | 69% | 0.686 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -115.6 | 12.1 | 176.1 | -72.1 | -94.2 | 0 | 0 | 0 | 112.3 | I232 P234 Q239 | I232-Y237 HydrophobicContact CG2-CD2 3.62Å; I232-Y237 HydrophobicContact CG2-CE2 3.7Å; P234-Y237 CarbonylContact O-C 3.53Å; P234-Y237 WeakPolarHBondContact O-CA 2.99Å; P234-Y237 PolarHBondContact O-N 3.12Å; Y237-Q239 PolarHBondContact O-N 3.43Å |
| 238 | K | 42 | Very low | 42.8 | Very low | 141 Ų | 141 | 136.3 Ų | 136.3 | 61% | 0.613 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -66.8 | 85.7 | 153.9 | -78.9 | 178.3 | -178.8 | 162 | 0 | 107.2 | P234 E235 K240 | P234-K238 PolarHBondContact O-N 2.99Å; E235-K238 VanDerWaalsContact CD-NZ 3.33Å; E235-K238 IonicContact OE1-NZ 3.71Å; E235-K238 PolarHBondContact OE1-NZ 2.64Å; E235-K238 WeakPolarHBondContact OE2-CD 3.48Å; E235-K238 WeakPolarHBondContact OE2-CE 3.12Å; E235-K238 IonicContact OE2-NZ 2.73Å; E235-K238 PolarHBondContact OE2-NZ 2.96Å; K238-K240 PolarHBondContact O-N 2.93Å |
| 239 | Q | 40 | Very low | 42.7 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 80% | 0.804 | 71% | 0.706 | S | S | * | * | trans | -55.1 | 100.2 | 174.1 | -177.8 | 174.2 | -7.4 | 0 | 0 | 107.9 | Y237 S241 | Y237-Q239 PolarHBondContact O-N 3.43Å; Q239-S241 PolarHBondContact O-N 3.01Å | ||
| 240 | K | 35.4 | Very low | 42.3 | Very low | 161 Ų | 161 | 133 Ų | 133 | 70% | 0.7 | 70% | 0.696 | S | S | * | * | trans | -53 | 114.7 | 165.2 | -171.1 | -170.3 | 178.1 | -147.3 | 0 | 104.9 | K238 V242 D243 | K238-K240 PolarHBondContact O-N 2.93Å; K240-V242 PolarHBondContact O-N 2.9Å; K240-D243 WeakPolarHBondContact CE-OD2 3.28Å; K240-D243 IonicContact NZ-OD2 2.77Å; K240-D243 PolarHBondContact NZ-OD2 2.87Å | ||
| 241 | S | 36.6 | Very low | 42 | Very low | 90 Ų | 90 | 138.1 Ų | 138.1 | 63% | 0.629 | 70% | 0.701 | S | S | * | * | trans | -50.8 | 129.3 | 175.4 | 44.1 | 0 | 0 | 0 | 0 | 107.2 | Q239 D243 | Q239-S241 PolarHBondContact O-N 3.01Å; S241-D243 VanDerWaalsContact C-N 3.35Å; S241-D243 PolarHBondContact O-N 2.81Å | ||
| 242 | V | 35.6 | Very low | 42.5 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 69% | 0.691 | 68% | 0.68 | S | S | * | * | trans | -65.9 | 100.7 | -175.1 | 178.1 | 0 | 0 | 0 | 0 | 107.5 | K240 S244 | K240-V242 PolarHBondContact O-N 2.9Å; V242-S244 PolarHBondContact O-N 2.86Å; V242-S244 PolarHBondContact O-OG 3.4Å | ||
| 243 | D | 33.8 | Very low | 43.9 | Very low | 111 Ų | 111 | 130.5 Ų | 130.5 | 59% | 0.594 | 68% | 0.678 | S | S | * | * | trans | -55.2 | 98.8 | 157.9 | -60.5 | -47.5 | 0 | 0 | 0 | 104.9 | K240 S241 | K240-D243 WeakPolarHBondContact CE-OD2 3.28Å; K240-D243 IonicContact NZ-OD2 2.77Å; K240-D243 PolarHBondContact NZ-OD2 2.87Å; S241-D243 VanDerWaalsContact C-N 3.35Å; S241-D243 PolarHBondContact O-N 2.81Å | ||
| 244 | S | 38.6 | Very low | 45.9 | Very low | 88 Ų | 88 | 128.1 Ų | 128.1 | 62% | 0.615 | 67% | 0.671 | S | S | * | * | trans | -67.9 | 141.3 | -178 | -62.9 | 0 | 0 | 0 | 0 | 108.1 | V242 D246 | V242-S244 PolarHBondContact O-N 2.86Å; V242-S244 PolarHBondContact O-OG 3.4Å; S244-D246 PolarHBondContact O-N 2.86Å | ||
| 245 | E | 43 | Very low | 47.7 | Very low | 203 Ų | 203 | 124.4 Ų | 124.4 | 95% | 0.949 | 65% | 0.647 | S | S | * | * | trans | -68.9 | 81.8 | 177.3 | -65.3 | 175.8 | 150.9 | 0 | 0 | 109 | ||||
| 246 | D | 36.2 | Very low | 49.6 | Very low | 83 Ų | 83 | 118.5 Ų | 118.5 | 44% | 0.444 | 62% | 0.621 | S | S | . | * | trans | -112.3 | 39.6 | -172.9 | -155 | 3.5 | 0 | 0 | 0 | 109.8 | S244 A248 K249 | S244-D246 PolarHBondContact O-N 2.86Å; D246-A248 PolarHBondContact O-N 2.85Å; D246-K249 PolarHBondContact O-N 2.78Å; D246-K249 IonicContact OD1-NZ 2.81Å; D246-K249 PolarHBondContact OD1-NZ 3.12Å; D246-K249 IonicContact OD2-NZ 3.72Å; D246-K249 PolarHBondContact OD2-NZ 2.9Å | ||
| 247 | E | 36.5 | Very low | 52.1 | Low | 205 Ų | 205 | 115.8 Ų | 115.8 | 96% | 0.958 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 47.5 | 171.9 | -68.9 | -163 | 131.6 | 0 | 0 | 112 | ||
| 248 | A | 38.3 | Very low | 54.7 | Low | 93 Ų | 93 | 107.4 Ų | 107.4 | 77% | 0.769 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.9 | 0.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | D246 | D246-A248 PolarHBondContact O-N 2.85Š|
| 249 | K | 38.6 | Very low | 57.3 | Low | 148 Ų | 148 | 100.8 Ų | 100.8 | 64% | 0.643 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -101.9 | 125.9 | 168.5 | -65.3 | -174.3 | -179 | 71.5 | 0 | 109.4 | D246 | D246-K249 PolarHBondContact O-N 2.78Å; D246-K249 IonicContact OD1-NZ 2.81Å; D246-K249 PolarHBondContact OD1-NZ 3.12Å; D246-K249 IonicContact OD2-NZ 3.72Å; D246-K249 PolarHBondContact OD2-NZ 2.9Å |
| 250 | G | 40.5 | Very low | 60 | Low | 65 Ų | 65 | 92.6 Ų | 92.6 | 67% | 0.67 | 50% | 0.504 | S | S | * | . | trans | -58.7 | 143.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | V252 | G250-V252 VanDerWaalsContact C-N 3.34Å; G250-V252 PolarHBondContact O-N 2.93Å | ||
| 251 | H | 42.9 | Very low | 62.9 | Low | 180 Ų | 180 | 85 Ų | 85 | 83% | 0.833 | 47% | 0.471 | S | S | * | . | trans | -67.3 | 91 | 176.2 | 179 | -72.7 | 0 | 0 | 0 | 109.6 | E253 | H251-E253 PolarHBondContact O-N 2.92Š| ||
| 252 | V | 60.8 | Low | 65.7 | Low | 80 Ų | 80 | 80.8 Ų | 80.8 | 49% | 0.485 | 44% | 0.441 | S | S | . | . | trans | -66 | 102 | 178 | -174.7 | 0 | 0 | 0 | 0 | 108.7 | G250 H378 | G250-V252 VanDerWaalsContact C-N 3.34Å; G250-V252 PolarHBondContact O-N 2.93Å; V252-H378 HydrophobicContact CG1-CB 3.73Å; V252-H378 WeakPolarHBondContact CG1-ND1 3.24Å | ||
| 253 | E | 81.2 | Confident | 68.5 | Low | 130 Ų | 130 | 78.1 Ų | 78.1 | 61% | 0.607 | 42% | 0.423 | S | S | * | . | trans | -60.4 | 142.5 | 176 | -178.3 | 170 | -162.6 | 0 | 0 | 110.4 | H251 A379 | H251-E253 PolarHBondContact O-N 2.92Å; E253-A379 HydrophobicContact CB-CB 3.79Å; E253-A379 HydrophobicContact CG-CB 4.37Å; E253-A379 VanDerWaalsContact O-CB 3.32Å; E253-A379 WeakPolarHBondContact O-CB 3.36Å; E253-A379 PolarHBondContact O-N 3.28Å | ||
| 254 | I | 89.4 | Confident | 71.3 | Confident | 92 Ų | 92 | 73.4 Ų | 73.4 | 47% | 0.472 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 112.8 | -176 | -62.5 | 175.2 | 0 | 0 | 0 | 108.6 | G256 D376 I377 | I254-G256 VanDerWaalsContact C-N 3.32Å; I254-G256 WeakPolarHBondContact CG2-O 3.1Å; I254-G256 PolarHBondContact O-N 2.8Å; I254-D376 HydrophobicContact CG2-CB 4.01Å; I254-I377 CarbonylContact C-O 3.56Å; I254-I377 WeakPolarHBondContact CA-O 3.49Å |
| 255 | C | 90.9 | Very high | 73.9 | Confident | 14 Ų | 14 | 71 Ų | 71 | 10% | 0.095 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 46.7 | -174.8 | -63.4 | 0 | 0 | 0 | 0 | 112.1 | L281 P282 I353 I377 A379 | C255-L281 WeakPolarHBondContact O-CD2 3.37Å; C255-P282 HydrophobicContact CB-CG 3.92Å; C255-P282 WeakPolarHBondContact O-CD 2.97Å; C255-I353 HydrophobicContact CB-CG2 4.04Å; C255-I353 WeakPolarHBondContact CB-O 3.4Å; C255-I353 PolarHBondContact SG-O 3.38Å; C255-I377 HydrophobicContact CB-CG2 4.19Å; C255-I377 PolarHBondContact N-O 2.74Å; C255-A379 VanDerWaalsContact SG-CB 3.58Å |
| 256 | G | 94.3 | Very high | 76.3 | Confident | 6 Ų | 6 | 67.2 Ų | 67.2 | 6% | 0.062 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 93.4 | -160.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | I254 L279 D280 I377 | I254-G256 VanDerWaalsContact C-N 3.32Å; I254-G256 WeakPolarHBondContact CG2-O 3.1Å; I254-G256 PolarHBondContact O-N 2.8Å; G256-L279 CarbonylContact C-O 3.48Å; G256-L279 VanDerWaalsContact CA-O 3.24Å; G256-L279 WeakPolarHBondContact CA-O 3.25Å; G256-D280 WeakPolarHBondContact CA-O 3.39Å; G256-D280 PolarHBondContact N-O 2.99Å; G256-I377 PolarHBondContact O-N 2.73Å |
| 257 | K | 96.6 | Very high | 79 | Confident | 80 Ų | 80 | 72 Ų | 72 | 35% | 0.348 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 140.1 | -177.2 | -54.7 | -174.6 | -175.8 | -77 | 0 | 111.6 | A278 L279 W374 K375 D376 | K257-A278 CarbonylContact O-C 3.46Å; K257-A278 WeakPolarHBondContact O-CA 3Å; K257-A278 WeakPolarHBondContact O-CB 3.45Å; K257-L279 PolarHBondContact N-O 2.77Å; K257-L279 PolarHBondContact O-N 3.25Å; K257-W374 HydrophobicContact CB-CE3 4.01Å; K257-W374 HydrophobicContact CB-CZ3 4.2Å; K257-K375 CarbonylContact C-O 3.59Å; K257-K375 WeakPolarHBondContact CA-O 3.47Å; K257-D376 WeakPolarHBondContact CG-OD1 3.31Å; K257-D376 IonicContact NZ-OD1 3.62Å; K257-D376 PolarHBondContact NZ-OD1 2.9Å; K257-D376 IonicContact NZ-OD2 2.73Å |
| 258 | L | 97.5 | Very high | 81.7 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 137.8 | 174.6 | -172.9 | 64.7 | 0 | 0 | 0 | 110.6 | F260 I275 A278 V294 F339 V356 W374 K375 I377 | L258-F260 HydrophobicContact CD2-CD1 4.36Å; L258-F260 HydrophobicContact CG-CD1 4.28Å; L258-I275 HydrophobicContact CD1-CG2 4.19Å; L258-A278 HydrophobicContact CD1-CB 4.09Å; L258-V294 HydrophobicContact CD1-CG2 4.25Å; L258-F339 HydrophobicContact CD2-CB 3.72Å; L258-F339 HydrophobicContact CD2-CD1 4.19Å; L258-F339 HydrophobicContact CD2-CD2 4.02Å; L258-F339 HydrophobicContact CD2-CG 3.72Å; L258-V356 HydrophobicContact CB-CG2 4.21Å; L258-V356 HydrophobicContact CD2-CG2 4.33Å; L258-W374 WeakPolarHBondContact O-CA 3.43Å; L258-K375 PolarHBondContact N-O 3.15Å; L258-K375 PolarHBondContact O-N 2.87Å; L258-I377 HydrophobicContact CB-CD1 4.13Å; L258-I377 HydrophobicContact CB-CG1 3.95Å |
| 259 | S | 97.4 | Very high | 84.3 | Confident | 2 Ų | 2 | 70.4 Ų | 70.4 | 1% | 0.014 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130.7 | 172.5 | -170.2 | 0 | 0 | 0 | 0 | 111.4 | L276 K277 V372 V373 | S259-L276 PolarHBondContact O-N 3.4Å; S259-K277 WeakPolarHBondContact CA-O 3.49Å; S259-K277 WeakPolarHBondContact CB-O 3.18Å; S259-K277 PolarHBondContact N-O 2.86Å; S259-K277 PolarHBondContact O-N 2.61Å; S259-V372 WeakPolarHBondContact OG-CG1 3.44Å; S259-V373 WeakPolarHBondContact CA-O 3.41Å; S259-V373 PolarHBondContact OG-O 3.31Å |
| 260 | F | 96.9 | Very high | 87 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 162.8 | -178.8 | 59.5 | -88.1 | 0 | 0 | 0 | 109.7 | L258 L262 R274 I275 F339 V358 V373 K375 | L258-F260 HydrophobicContact CD2-CD1 4.36Å; L258-F260 HydrophobicContact CG-CD1 4.28Å; F260-L262 HydrophobicContact CD2-CD2 3.93Å; F260-L262 HydrophobicContact CD2-CG 4.01Å; F260-L262 HydrophobicContact CE2-CD1 4.08Å; F260-L262 HydrophobicContact CE2-CD2 4.09Å; F260-L262 HydrophobicContact CE2-CG 3.93Å; F260-R274 CarbonylContact C-O 3.47Å; F260-R274 WeakPolarHBondContact CA-O 3.17Å; F260-R274 VanDerWaalsContact CB-O 3.27Å; F260-R274 WeakPolarHBondContact CB-O 3.25Å; F260-I275 HydrophobicContact CB-CD1 4.16Å; F260-F339 HydrophobicContact CB-CZ 4.44Å; F260-F339 AromaticContact CD1-CE2 3.86Å; F260-F339 HydrophobicContact CD1-CE2 3.86Å; F260-F339 AromaticContact CD1-CZ 3.97Å; F260-F339 HydrophobicContact CD1-CZ 3.97Å; F260-F339 HydrophobicContact CD2-CE2 4.21Å; F260-F339 AromaticContact CD2-CZ 3.82Å; F260-F339 HydrophobicContact CD2-CZ 3.82Å; F260-F339 HydrophobicContact CE1-CD2 4.37Å; F260-F339 AromaticContact CE1-CE2 3.63Å; F260-F339 HydrophobicContact CE1-CE2 3.63Å; F260-F339 HydrophobicContact CE1-CZ 4.15Å; F260-F339 HydrophobicContact CE2-CE2 4Å; F260-F339 HydrophobicContact CE2-CZ 4.01Å; F260-F339 HydrophobicContact CG-CE2 4.15Å; F260-F339 AromaticContact CG-CZ 3.81Å; F260-F339 HydrophobicContact CG-CZ 3.81Å; F260-F339 AromaticContact CZ-CE2 3.71Å; F260-F339 HydrophobicContact CZ-CE2 3.71Å; F260-F339 HydrophobicContact CZ-CZ 4.17Å; F260-V358 HydrophobicContact CZ-CG2 3.98Å; F260-V373 HydrophobicContact CD2-CB 4.19Å; F260-V373 HydrophobicContact CE1-CB 4.29Å; F260-V373 HydrophobicContact CE1-CG1 3.95Å; F260-V373 HydrophobicContact CE2-CB 3.77Å; F260-V373 HydrophobicContact CE2-CG1 3.9Å; F260-V373 HydrophobicContact CE2-CG2 4.14Å; F260-V373 HydrophobicContact CZ-CB 3.83Å; F260-V373 HydrophobicContact CZ-CG1 3.46Å; F260-V373 VanDerWaalsContact CZ-CG1 3.46Å; F260-V373 PolarHBondContact N-O 3.04Å; F260-V373 PolarHBondContact O-N 2.98Å; F260-K375 HydrophobicContact CE1-CB 4.33Å; F260-K375 HydrophobicContact CE1-CG 4.11Å; F260-K375 HydrophobicContact CZ-CG 4.28Å |
| 261 | S | 95.4 | Very high | 89.5 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.014 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 150.7 | 168.4 | 51.2 | 0 | 0 | 0 | 0 | 111.2 | R274 E370 A371 | S261-R274 PolarHBondContact N-O 2.63Å; S261-R274 PolarHBondContact O-N 2.82Å; S261-E370 WeakPolarHBondContact CB-OE1 3.38Å; S261-E370 PolarHBondContact OG-OE1 3.06Å; S261-A371 VanDerWaalsContact CA-O 3.27Å; S261-A371 WeakPolarHBondContact CA-O 3.45Å; S261-A371 WeakPolarHBondContact CB-O 3.48Å |
| 262 | L | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 142.7 | 177.3 | -57.3 | 179.9 | 0 | 0 | 0 | 109.5 | F260 V273 L337 L361 L367 | F260-L262 HydrophobicContact CD2-CD2 3.93Å; F260-L262 HydrophobicContact CD2-CG 4.01Å; F260-L262 HydrophobicContact CE2-CD1 4.08Å; F260-L262 HydrophobicContact CE2-CD2 4.09Å; F260-L262 HydrophobicContact CE2-CG 3.93Å; L262-V273 HydrophobicContact CD2-CB 4.36Å; L262-V273 HydrophobicContact CD2-CG1 4.11Å; L262-V273 HydrophobicContact CD2-CG2 3.92Å; L262-L337 HydrophobicContact CD2-CD2 3.55Å; L262-L361 HydrophobicContact CD1-CD2 4.15Å; L262-L367 HydrophobicContact CB-CD2 3.7Å; L262-L367 HydrophobicContact CD1-CD2 4.26Å |
| 263 | L | 94.3 | Very high | 93.6 | Very high | 59 Ų | 59 | 48.9 Ų | 48.9 | 31% | 0.309 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 143.7 | 172.8 | 179.3 | 71.6 | 0 | 0 | 0 | 107.9 | V272 | L263-V272 HydrophobicContact CB-CB 4.29Å; L263-V272 PolarHBondContact N-O 2.87Å; L263-V272 VanDerWaalsContact N-O 3.09Å; L263-V272 WeakPolarHBondContact O-CA 3.07Å; L263-V272 WeakPolarHBondContact O-CB 3.09Å; L263-V272 PolarHBondContact O-N 3.16Å |
| 264 | Y | 93.8 | Very high | 94.4 | Very high | 11 Ų | 11 | 45.9 Ų | 45.9 | 4% | 0.043 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 126.4 | 170.4 | -171.1 | -97.2 | 0 | 0 | 0 | 111.2 | Y266 Q269 A270 V327 Y329 L332 L367 | Y264-Y266 AromaticContact CD1-CD1 3.65Å; Y264-Y266 HydrophobicContact CD1-CD1 3.65Å; Y264-Y266 AromaticContact CD1-CD2 3.88Å; Y264-Y266 HydrophobicContact CD1-CD2 3.88Å; Y264-Y266 AromaticContact CD1-CE1 3.7Å; Y264-Y266 HydrophobicContact CD1-CE1 3.7Å; Y264-Y266 AromaticContact CD1-CE2 3.92Å; Y264-Y266 HydrophobicContact CD1-CE2 3.92Å; Y264-Y266 AromaticContact CD1-CG 3.75Å; Y264-Y266 HydrophobicContact CD1-CG 3.75Å; Y264-Y266 AromaticContact CD1-CZ 3.84Å; Y264-Y266 AromaticContact CE1-CD1 3.7Å; Y264-Y266 HydrophobicContact CE1-CD1 3.7Å; Y264-Y266 HydrophobicContact CE1-CE1 4.05Å; Y264-Y266 AromaticContact CE1-CG 4Å; Y264-Y266 HydrophobicContact CE1-CG 4Å; Y264-Y266 WeakPolarHBondContact O-CD2 3.44Å; Y264-Q269 WeakPolarHBondContact OH-CA 3.4Å; Y264-A270 WeakPolarHBondContact CD2-O 3.33Å; Y264-V327 WeakPolarHBondContact CE2-O 3.38Å; Y264-V327 PolarHBondContact OH-O 2.97Å; Y264-Y329 AromaticContact CD1-CD2 3.64Å; Y264-Y329 HydrophobicContact CD1-CD2 3.64Å; Y264-Y329 HydrophobicContact CD1-CE2 4.37Å; Y264-Y329 HydrophobicContact CD2-CD2 4.36Å; Y264-Y329 AromaticContact CE1-CD2 3.82Å; Y264-Y329 HydrophobicContact CE1-CD2 3.82Å; Y264-Y329 HydrophobicContact CE1-CG 4.33Å; Y264-Y329 AromaticContact CG-CD2 3.92Å; Y264-Y329 HydrophobicContact CG-CD2 3.92Å; Y264-Y329 PolarHBondContact OH-N 3.28Å; Y264-L332 HydrophobicContact CD2-CD1 3.66Å; Y264-L332 HydrophobicContact CE2-CD1 3.93Å; Y264-L332 HydrophobicContact CG-CD1 4.45Å; Y264-L367 PolarHBondContact N-O 3.42Å |
| 265 | D | 93.8 | Very high | 94.8 | Very high | 39 Ų | 39 | 41.5 Ų | 41.5 | 21% | 0.209 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 108 | 174.1 | -167.1 | -35.5 | 0 | 0 | 0 | 108.8 | E267 E268 Q269 A270 V272 | D265-E267 PolarHBondContact OD1-N 2.94Å; D265-E267 VanDerWaalsContact OD1-N 3.09Å; D265-E268 HydrophobicContact CB-CB 4.49Å; D265-E268 PolarHBondContact OD1-N 3.1Å; D265-Q269 VanDerWaalsContact O-CA 3.25Å; D265-Q269 WeakPolarHBondContact O-CA 3.42Å; D265-Q269 PolarHBondContact O-N 3.21Å; D265-A270 HydrophobicContact CB-CB 4.5Å; D265-A270 WeakPolarHBondContact CB-O 3.27Å; D265-A270 PolarHBondContact N-O 3.16Å; D265-A270 PolarHBondContact O-N 3.08Å; D265-V272 HydrophobicContact CB-CG2 3.95Å |
| 266 | Y | 92.1 | Very high | 95.1 | Very high | 122 Ų | 122 | 42.1 Ų | 42.1 | 48% | 0.478 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -18.5 | -178.5 | -66.3 | -90.9 | 0 | 0 | 0 | 113.3 | Y264 Y329 | Y264-Y266 AromaticContact CD1-CD1 3.65Å; Y264-Y266 HydrophobicContact CD1-CD1 3.65Å; Y264-Y266 AromaticContact CD1-CD2 3.88Å; Y264-Y266 HydrophobicContact CD1-CD2 3.88Å; Y264-Y266 AromaticContact CD1-CE1 3.7Å; Y264-Y266 HydrophobicContact CD1-CE1 3.7Å; Y264-Y266 AromaticContact CD1-CE2 3.92Å; Y264-Y266 HydrophobicContact CD1-CE2 3.92Å; Y264-Y266 AromaticContact CD1-CG 3.75Å; Y264-Y266 HydrophobicContact CD1-CG 3.75Å; Y264-Y266 AromaticContact CD1-CZ 3.84Å; Y264-Y266 AromaticContact CE1-CD1 3.7Å; Y264-Y266 HydrophobicContact CE1-CD1 3.7Å; Y264-Y266 HydrophobicContact CE1-CE1 4.05Å; Y264-Y266 AromaticContact CE1-CG 4Å; Y264-Y266 HydrophobicContact CE1-CG 4Å; Y264-Y266 WeakPolarHBondContact O-CD2 3.44Å; Y266-Y329 AromaticContact CE1-CD2 3.72Å; Y266-Y329 HydrophobicContact CE1-CD2 3.72Å; Y266-Y329 AromaticContact CE1-CE2 3.81Å; Y266-Y329 HydrophobicContact CE1-CE2 3.81Å; Y266-Y329 HydrophobicContact CE1-CG 4.31Å; Y266-Y329 AromaticContact CZ-CE2 3.82Å; Y266-Y329 VanDerWaalsContact OH-CE2 3.22Å; Y266-Y329 WeakPolarHBondContact OH-CE2 3.42Å |
| 267 | E | 93.2 | Very high | 95.2 | Very high | 185 Ų | 185 | 45.5 Ų | 45.5 | 86% | 0.864 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84 | -47.9 | 179.3 | -60.8 | -170.6 | 166.6 | 0 | 0 | 110.1 | D265 Q269 | D265-E267 PolarHBondContact OD1-N 2.94Å; D265-E267 VanDerWaalsContact OD1-N 3.09Å; E267-Q269 VanDerWaalsContact C-N 3.35Å |
| 268 | E | 92.5 | Very high | 95.3 | Very high | 144 Ų | 144 | 41.7 Ų | 41.7 | 67% | 0.673 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87 | -0.4 | 177.5 | -67.9 | -70.6 | 146.7 | 0 | 0 | 113.8 | D265 A270 | D265-E268 HydrophobicContact CB-CB 4.49Å; D265-E268 PolarHBondContact OD1-N 3.1Å; E268-A270 PolarHBondContact O-N 3.46Å |
| 269 | Q | 94.3 | Very high | 95.2 | Very high | 120 Ų | 120 | 44.1 Ų | 44.1 | 56% | 0.561 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.5 | 55.4 | -176 | -59.8 | -167.5 | -18.5 | 0 | 0 | 113.1 | Y264 D265 E267 V327 | Y264-Q269 WeakPolarHBondContact OH-CA 3.4Å; D265-Q269 VanDerWaalsContact O-CA 3.25Å; D265-Q269 WeakPolarHBondContact O-CA 3.42Å; D265-Q269 PolarHBondContact O-N 3.21Å; E267-Q269 VanDerWaalsContact C-N 3.35Å; Q269-V327 CarbonylContact C-O 3.57Å; Q269-V327 CarbonylContact O-C 3.54Å; Q269-V327 PolarHBondContact O-N 2.66Å |
| 270 | A | 94.2 | Very high | 95.1 | Very high | 4 Ų | 4 | 49.2 Ų | 49.2 | 3% | 0.033 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 137.6 | -172 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y264 D265 E268 V272 R324 F325 | Y264-A270 WeakPolarHBondContact CD2-O 3.33Å; D265-A270 HydrophobicContact CB-CB 4.5Å; D265-A270 WeakPolarHBondContact CB-O 3.27Å; D265-A270 PolarHBondContact N-O 3.16Å; D265-A270 PolarHBondContact O-N 3.08Å; E268-A270 PolarHBondContact O-N 3.46Å; A270-V272 PolarHBondContact O-N 2.87Å; A270-R324 HydrophobicContact CB-CB 4.5Å; A270-F325 CarbonylContact C-O 3.54Å; A270-F325 VanDerWaalsContact CA-O 3.27Å; A270-F325 WeakPolarHBondContact CA-O 3.04Å |
| 271 | L | 93.6 | Very high | 95 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 114.4 | 165 | -178.3 | 69.1 | 0 | 0 | 0 | 109 | V273 L298 F325 V327 L332 L361 L367 | L271-V273 HydrophobicContact CD2-CG2 3.98Å; L271-V273 HydrophobicContact CG-CG2 3.9Å; L271-L298 HydrophobicContact CD2-CD1 4.12Å; L271-F325 HydrophobicContact CB-CB 4.45Å; L271-F325 PolarHBondContact N-O 2.83Å; L271-F325 PolarHBondContact O-N 2.76Å; L271-V327 HydrophobicContact CB-CG1 4.02Å; L271-L332 HydrophobicContact CB-CD2 4.24Å; L271-L332 HydrophobicContact CD2-CD2 4.19Å; L271-L361 HydrophobicContact CD2-CD1 3.99Å; L271-L367 HydrophobicContact CD1-CD1 4.41Å; L271-L367 HydrophobicContact CD1-CD2 4.26Å |
| 272 | V | 95 | Very high | 94.8 | Very high | 16 Ų | 16 | 51.4 Ų | 51.4 | 10% | 0.097 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 125.7 | 172.4 | -169.2 | 0 | 0 | 0 | 0 | 108.4 | L263 D265 A270 T322 F323 R324 | L263-V272 HydrophobicContact CB-CB 4.29Å; L263-V272 PolarHBondContact N-O 2.87Å; L263-V272 VanDerWaalsContact N-O 3.09Å; L263-V272 WeakPolarHBondContact O-CA 3.07Å; L263-V272 WeakPolarHBondContact O-CB 3.09Å; L263-V272 PolarHBondContact O-N 3.16Å; D265-V272 HydrophobicContact CB-CG2 3.95Å; A270-V272 PolarHBondContact O-N 2.87Å; V272-T322 HydrophobicContact CG1-CG2 3.47Å; V272-T322 VanDerWaalsContact CG1-CG2 3.47Å; V272-F323 WeakPolarHBondContact CA-O 3.32Å; V272-R324 HydrophobicContact CG2-CG 4.33Å |
| 273 | V | 95.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 116 | -178.4 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | L262 L271 I275 I296 F323 F325 L337 F339 | L262-V273 HydrophobicContact CD2-CB 4.36Å; L262-V273 HydrophobicContact CD2-CG1 4.11Å; L262-V273 HydrophobicContact CD2-CG2 3.92Å; L271-V273 HydrophobicContact CD2-CG2 3.98Å; L271-V273 HydrophobicContact CG-CG2 3.9Å; V273-I275 HydrophobicContact CG1-CD1 4.24Å; V273-I296 HydrophobicContact CG1-CG2 4.49Å; V273-F323 PolarHBondContact N-O 3.25Å; V273-F323 PolarHBondContact O-N 3.43Å; V273-F325 HydrophobicContact CB-CE2 4.45Å; V273-F325 HydrophobicContact CG2-CD2 3.91Å; V273-F325 HydrophobicContact CG2-CE2 4.01Å; V273-L337 HydrophobicContact CG1-CD2 3.94Å; V273-L337 HydrophobicContact CG2-CD1 4.17Å; V273-L337 HydrophobicContact CG2-CD2 3.84Å; V273-F339 HydrophobicContact CG1-CE1 3.82Å; V273-F339 HydrophobicContact CG1-CZ 4.11Å |
| 274 | R | 96.8 | Very high | 94.1 | Very high | 67 Ų | 67 | 55.2 Ų | 55.2 | 25% | 0.253 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 117.5 | -179.6 | 174.6 | 179.5 | 175.8 | -153.3 | 4.4 | 110.4 | F260 S261 L276 D320 E321 T322 E370 | F260-R274 CarbonylContact C-O 3.47Å; F260-R274 WeakPolarHBondContact CA-O 3.17Å; F260-R274 VanDerWaalsContact CB-O 3.27Å; F260-R274 WeakPolarHBondContact CB-O 3.25Å; S261-R274 PolarHBondContact N-O 2.63Å; S261-R274 PolarHBondContact O-N 2.82Å; R274-L276 HydrophobicContact CG-CD2 3.89Å; R274-L276 HydrophobicContact CG-CG 4.48Å; R274-D320 IonicContact CZ-OD1 2.74Å; R274-D320 IonicContact NE-OD1 2.59Å; R274-D320 PolarHBondContact NE-OD1 2.84Å; R274-D320 IonicContact NH2-OD1 3.28Å; R274-D320 PolarHBondContact NH2-OD1 2.65Å; R274-D320 IonicContact NH2-OD2 2.7Å; R274-D320 PolarHBondContact NH2-OD2 2.73Å; R274-E321 CarbonylContact C-O 3.57Å; R274-E321 WeakPolarHBondContact CA-O 3.46Å; R274-T322 HydrophobicContact CB-CG2 4.33Å; R274-T322 WeakPolarHBondContact CG-OG1 3.36Å; R274-E370 WeakPolarHBondContact CD-OE1 3.37Å; R274-E370 IonicContact CZ-OE1 3.55Å; R274-E370 IonicContact NE-OE1 3.16Å; R274-E370 IonicContact NH1-OE1 2.67Å; R274-E370 PolarHBondContact NH1-OE1 2.94Å; R274-E370 IonicContact NH1-OE2 3.97Å |
| 275 | I | 97.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 117.4 | 175.8 | -50.4 | -56.8 | 0 | 0 | 0 | 107.8 | L258 F260 V273 V294 I296 T308 F319 D320 E321 F323 F339 | L258-I275 HydrophobicContact CD1-CG2 4.19Å; F260-I275 HydrophobicContact CB-CD1 4.16Å; V273-I275 HydrophobicContact CG1-CD1 4.24Å; I275-V294 HydrophobicContact CG2-CG2 4.44Å; I275-I296 HydrophobicContact CD1-CD1 3.76Å; I275-I296 HydrophobicContact CD1-CG1 4.35Å; I275-I296 HydrophobicContact CG1-CD1 3.63Å; I275-I296 HydrophobicContact CG1-CG1 4.47Å; I275-T308 HydrophobicContact CB-CG2 4.21Å; I275-T308 HydrophobicContact CG1-CG2 4.14Å; I275-T308 HydrophobicContact CG2-CG2 4.31Å; I275-F319 HydrophobicContact CB-CB 4.43Å; I275-F319 HydrophobicContact CG2-CB 4.12Å; I275-F319 HydrophobicContact CG2-CD2 3.54Å; I275-F319 HydrophobicContact CG2-CE2 4.2Å; I275-F319 HydrophobicContact CG2-CG 4.02Å; I275-D320 VanDerWaalsContact O-CA 3.24Å; I275-D320 WeakPolarHBondContact O-CA 3.11Å; I275-D320 PolarHBondContact O-N 2.76Å; I275-E321 PolarHBondContact N-O 3.23Å; I275-E321 PolarHBondContact O-N 2.87Å; I275-F323 HydrophobicContact CG1-CD2 4.28Å; I275-F323 HydrophobicContact CG1-CE2 3.96Å; I275-F339 HydrophobicContact CD1-CD1 3.76Å; I275-F339 HydrophobicContact CD1-CE1 3.42Å; I275-F339 VanDerWaalsContact CD1-CE1 3.42Å; I275-F339 HydrophobicContact CD1-CZ 4.34Å |
| 276 | L | 97.1 | Very high | 92.4 | Very high | 27 Ų | 27 | 66 Ų | 66 | 14% | 0.141 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | -62.2 | -174.3 | -62.1 | 166.6 | 0 | 0 | 0 | 110.1 | S259 R274 T318 F319 D320 V372 | S259-L276 PolarHBondContact O-N 3.4Å; R274-L276 HydrophobicContact CG-CD2 3.89Å; R274-L276 HydrophobicContact CG-CG 4.48Å; L276-T318 CarbonylContact O-C 3.42Å; L276-F319 PolarHBondContact O-N 2.82Å; L276-D320 PolarHBondContact O-N 2.92Å; L276-D320 VanDerWaalsContact O-N 3.16Å; L276-V372 HydrophobicContact CD1-CB 4.34Å; L276-V372 HydrophobicContact CD1-CG1 3.75Å; L276-V372 HydrophobicContact CD1-CG2 3.83Å |
| 277 | K | 97.4 | Very high | 91.6 | Very high | 78 Ų | 78 | 64.2 Ų | 64.2 | 34% | 0.339 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 162.3 | -178.3 | 55.2 | 177.6 | 172.8 | 173.7 | 0 | 112 | S259 P317 T318 W374 | S259-K277 WeakPolarHBondContact CA-O 3.49Å; S259-K277 WeakPolarHBondContact CB-O 3.18Å; S259-K277 PolarHBondContact N-O 2.86Å; S259-K277 PolarHBondContact O-N 2.61Å; K277-P317 CarbonylContact C-O 3.4Å; K277-P317 WeakPolarHBondContact CA-O 3.37Å; K277-P317 WeakPolarHBondContact CB-O 3.28Å; K277-T318 HydrophobicContact CB-CG2 4.4Å; K277-W374 HydrophobicContact CD-CH2 4.28Å; K277-W374 HydrophobicContact CG-CH2 4.16Å |
| 278 | A | 97.6 | Very high | 91 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 159.2 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | K257 L258 L281 N316 P317 F319 I377 | K257-A278 CarbonylContact O-C 3.46Å; K257-A278 WeakPolarHBondContact O-CA 3Å; K257-A278 WeakPolarHBondContact O-CB 3.45Å; L258-A278 HydrophobicContact CD1-CB 4.09Å; A278-L281 HydrophobicContact CB-CD1 4.12Å; A278-L281 HydrophobicContact CB-CD2 3.97Å; A278-L281 HydrophobicContact CB-CG 4.15Å; A278-N316 CarbonylContact O-C 3.07Å; A278-N316 WeakPolarHBondContact O-CA 3.22Å; A278-P317 HydrophobicContact CB-CG 3.94Å; A278-P317 PolarHBondContact N-O 2.94Å; A278-F319 HydrophobicContact CB-CE2 4.29Å; A278-I377 HydrophobicContact CB-CD1 4.45Å |
| 279 | L | 96.5 | Very high | 90.8 | Very high | 51 Ų | 51 | 52.2 Ų | 52.2 | 27% | 0.267 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 154.1 | 174.9 | -63 | 179.1 | 0 | 0 | 0 | 110.8 | G256 K257 L281 N316 W374 | G256-L279 CarbonylContact C-O 3.48Å; G256-L279 VanDerWaalsContact CA-O 3.24Å; G256-L279 WeakPolarHBondContact CA-O 3.25Å; K257-L279 PolarHBondContact N-O 2.77Å; K257-L279 PolarHBondContact O-N 3.25Å; L279-L281 VanDerWaalsContact C-N 3.25Å; L279-L281 PolarHBondContact O-N 2.87Å; L279-N316 VanDerWaalsContact CA-OD1 3.23Å; L279-N316 WeakPolarHBondContact CA-OD1 3.31Å; L279-N316 HydrophobicContact CD2-CB 4.2Å; L279-N316 VanDerWaalsContact CD2-OD1 3.22Å; L279-N316 WeakPolarHBondContact CD2-OD1 3.36Å; L279-W374 HydrophobicContact CB-CZ3 4.44Å; L279-W374 HydrophobicContact CD1-CH2 3.41Å; L279-W374 VanDerWaalsContact CD1-CH2 3.41Å; L279-W374 HydrophobicContact CD1-CZ2 4.47Å; L279-W374 HydrophobicContact CD1-CZ3 3.63Å; L279-W374 HydrophobicContact CG-CH2 3.77Å; L279-W374 HydrophobicContact CG-CZ3 3.84Å |
| 280 | D | 94.3 | Very high | 90.7 | Very high | 109 Ų | 109 | 46.5 Ų | 46.5 | 58% | 0.583 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 52.9 | 36.9 | 169.6 | -53.3 | -45.8 | 0 | 0 | 0 | 114.6 | G256 L315 N316 | G256-D280 WeakPolarHBondContact CA-O 3.39Å; G256-D280 PolarHBondContact N-O 2.99Å; D280-L315 PolarHBondContact N-O 3.11Å; D280-N316 PolarHBondContact N-OD1 3.21Å; D280-N316 VanDerWaalsContact N-OD1 3.1Å |
| 281 | L | 94.6 | Very high | 90.7 | Very high | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -65.5 | 145.8 | 174.8 | -58.9 | -178.2 | 0 | 0 | 0 | 110.8 | C255 A278 L279 P292 L315 P317 V341 I353 I377 | C255-L281 WeakPolarHBondContact O-CD2 3.37Å; A278-L281 HydrophobicContact CB-CD1 4.12Å; A278-L281 HydrophobicContact CB-CD2 3.97Å; A278-L281 HydrophobicContact CB-CG 4.15Å; L279-L281 VanDerWaalsContact C-N 3.25Å; L279-L281 PolarHBondContact O-N 2.87Å; L281-P292 HydrophobicContact CD1-CB 3.64Å; L281-P292 HydrophobicContact CD1-CG 3.87Å; L281-L315 HydrophobicContact CB-CB 4.43Å; L281-L315 WeakPolarHBondContact CB-O 3.2Å; L281-L315 WeakPolarHBondContact CG-O 3.39Å; L281-L315 PolarHBondContact N-O 3.34Å; L281-L315 WeakPolarHBondContact O-CB 3.22Å; L281-P317 HydrophobicContact CD1-CG 3.89Å; L281-V341 HydrophobicContact CD1-CG1 4.44Å; L281-V341 HydrophobicContact CD2-CG1 4.38Å; L281-I353 HydrophobicContact CD1-CD1 4.47Å; L281-I353 HydrophobicContact CD2-CG2 4.24Å; L281-I377 HydrophobicContact CD2-CD1 3.38Å |
| 282 | P | 91.3 | Very high | 90.8 | Very high | 43 Ų | 43 | 47 Ų | 47 | 28% | 0.279 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 141.5 | 171.8 | 29 | -35.6 | 0 | 0 | 0 | 111.1 | C255 S290 I353 | C255-P282 HydrophobicContact CB-CG 3.92Å; C255-P282 WeakPolarHBondContact O-CD 2.97Å; P282-S290 PolarHBondContact O-OG 3.39Å; P282-I353 HydrophobicContact CG-CG2 3.8Å |
| 283 | A | 89.3 | Confident | 90.9 | Very high | 49 Ų | 49 | 46.3 Ų | 46.3 | 41% | 0.405 | 25% | 0.248 | S | C | . | . | P | Polyproline II helix | trans | -69.2 | 128.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | G288 T289 S290 L315 | A283-G288 VanDerWaalsContact CB-C 3.48Å; A283-T289 WeakPolarHBondContact CA-O 3.41Å; A283-S290 WeakPolarHBondContact CA-OG 3.43Å; A283-L315 HydrophobicContact CB-CD1 4.3Å; A283-L315 HydrophobicContact CB-CD2 4.17Å |
| 284 | K | 85.1 | Confident | 90.9 | Very high | 89 Ų | 89 | 46.3 Ų | 46.3 | 39% | 0.387 | 25% | 0.248 | S | C | . | . | trans | -115.9 | -31.5 | 178.4 | -72.5 | -69.4 | -155.2 | 141.7 | 0 | 111.6 | T289 S290 D343 D351 M352 I353 | K284-T289 PolarHBondContact N-O 2.86Å; K284-S290 PolarHBondContact N-OG 2.56Å; K284-S290 VanDerWaalsContact N-OG 3.13Å; K284-D343 HydrophobicContact CB-CB 4.2Å; K284-D343 VanDerWaalsContact CB-OD2 3.23Å; K284-D343 WeakPolarHBondContact CB-OD2 3.34Å; K284-D351 WeakPolarHBondContact CD-OD2 3.27Å; K284-D351 WeakPolarHBondContact CE-OD2 3.12Å; K284-D351 IonicContact NZ-OD2 2.92Å; K284-D351 PolarHBondContact NZ-OD2 2.97Å; K284-M352 PolarHBondContact NZ-O 2.84Å; K284-I353 HydrophobicContact CG-CG1 4.15Å | ||
| 285 | D | 78.1 | Confident | 90.7 | Very high | 49 Ų | 49 | 44.7 Ų | 44.7 | 26% | 0.262 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -57.7 | 144 | 168 | -74.5 | -59.9 | 0 | 0 | 0 | 111.9 | T287 G288 T289 S290 | D285-T287 VanDerWaalsContact CB-OG1 3.28Å; D285-T287 WeakPolarHBondContact CB-OG1 3.45Å; D285-T287 PolarHBondContact O-N 3.21Å; D285-T287 PolarHBondContact OD2-OG1 3.03Å; D285-G288 PolarHBondContact O-N 3.2Å; D285-T289 VanDerWaalsContact CB-O 3.25Å; D285-T289 WeakPolarHBondContact CB-O 3.31Å; D285-T289 PolarHBondContact N-O 3.03Å; D285-T289 VanDerWaalsContact OD2-C 3.27Å; D285-T289 PolarHBondContact OD2-OG1 3.39Å; D285-S290 WeakPolarHBondContact OD2-CA 3.49Å; D285-S290 PolarHBondContact OD2-N 2.95Å |
| 286 | F | 72.9 | Confident | 90.5 | Very high | 227 Ų | 227 | 44.7 Ų | 44.7 | 100% | 0.996 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -15 | 159.1 | -63.1 | -78.8 | 0 | 0 | 0 | 114.1 | G288 | F286-G288 VanDerWaalsContact C-N 3.33Š|
| 287 | T | 75.4 | Confident | 90.2 | Very high | 85 Ų | 85 | 45 Ų | 45 | 52% | 0.521 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | 0.6 | 176.5 | 62.4 | 0 | 0 | 0 | 0 | 114.3 | D285 T289 | D285-T287 VanDerWaalsContact CB-OG1 3.28Å; D285-T287 WeakPolarHBondContact CB-OG1 3.45Å; D285-T287 PolarHBondContact O-N 3.21Å; D285-T287 PolarHBondContact OD2-OG1 3.03Å; T287-T289 VanDerWaalsContact C-N 3.34Å; T287-T289 PolarHBondContact OG1-OG1 2.97Å |
| 288 | G | 81.5 | Confident | 89.7 | Confident | 48 Ų | 48 | 41.6 Ų | 41.6 | 50% | 0.495 | 23% | 0.228 | S | C | . | . | S | Bend | trans | 76.2 | 22.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | A283 D285 F286 | A283-G288 VanDerWaalsContact CB-C 3.48Å; D285-G288 PolarHBondContact O-N 3.2Å; F286-G288 VanDerWaalsContact C-N 3.33Å |
| 289 | T | 88.8 | Confident | 88.9 | Confident | 29 Ų | 29 | 43 Ų | 43 | 18% | 0.178 | 24% | 0.236 | C | C | . | . | trans | -132.6 | -168.9 | 176.6 | 54.6 | 0 | 0 | 0 | 0 | 109.9 | A283 K284 D285 T287 K313 | A283-T289 WeakPolarHBondContact CA-O 3.41Å; K284-T289 PolarHBondContact N-O 2.86Å; D285-T289 VanDerWaalsContact CB-O 3.25Å; D285-T289 WeakPolarHBondContact CB-O 3.31Å; D285-T289 PolarHBondContact N-O 3.03Å; D285-T289 VanDerWaalsContact OD2-C 3.27Å; D285-T289 PolarHBondContact OD2-OG1 3.39Å; T287-T289 VanDerWaalsContact C-N 3.34Å; T287-T289 PolarHBondContact OG1-OG1 2.97Å; T289-K313 HydrophobicContact CG2-CB 4.2Å | ||
| 290 | S | 91.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -145 | 158.2 | 164.6 | -49.3 | 0 | 0 | 0 | 0 | 107.2 | P282 A283 K284 D285 P292 K313 T314 D343 | P282-S290 PolarHBondContact O-OG 3.39Å; A283-S290 WeakPolarHBondContact CA-OG 3.43Å; K284-S290 PolarHBondContact N-OG 2.56Å; K284-S290 VanDerWaalsContact N-OG 3.13Å; D285-S290 WeakPolarHBondContact OD2-CA 3.49Å; D285-S290 PolarHBondContact OD2-N 2.95Å; S290-P292 WeakPolarHBondContact O-CD 3.44Å; S290-K313 CarbonylContact O-C 3.54Å; S290-K313 WeakPolarHBondContact O-CA 3.27Å; S290-K313 PolarHBondContact O-N 3.47Å; S290-K313 VanDerWaalsContact O-N 3.1Å; S290-T314 PolarHBondContact O-N 3.3Å; S290-D343 WeakPolarHBondContact CA-OD2 3.24Å; S290-D343 VanDerWaalsContact CB-OD2 3.26Å; S290-D343 WeakPolarHBondContact CB-OD2 3.47Å | ||
| 291 | D | 93.5 | Very high | 86.2 | Confident | 15 Ų | 15 | 42.9 Ų | 42.9 | 8% | 0.08 | 24% | 0.238 | C | C | . | . | trans | -100.3 | 63.3 | 166.2 | -88.3 | 16.8 | 0 | 0 | 0 | 110.1 | V310 H311 R312 K313 D343 F344 | D291-V310 HydrophobicContact CB-CG1 3.89Å; D291-V310 WeakPolarHBondContact O-CG1 3.43Å; D291-H311 CarbonylContact C-O 3.54Å; D291-H311 VanDerWaalsContact CA-O 3.3Å; D291-H311 WeakPolarHBondContact CA-O 3.46Å; D291-R312 WeakPolarHBondContact OD1-CA 3.29Å; D291-R312 WeakPolarHBondContact OD1-CB 3.33Å; D291-R312 WeakPolarHBondContact OD2-CD 3.31Å; D291-R312 WeakPolarHBondContact OD2-CG 3.36Å; D291-R312 IonicContact OD2-NE 3.54Å; D291-R312 PolarHBondContact OD2-NE 2.7Å; D291-K313 PolarHBondContact OD1-N 3.04Å; D291-D343 WeakPolarHBondContact CA-OD1 3.19Å; D291-D343 PolarHBondContact N-OD1 2.99Å; D291-F344 HydrophobicContact CB-CB 3.98Å; D291-F344 VanDerWaalsContact O-CB 3.31Å; D291-F344 WeakPolarHBondContact O-CB 3.3Å; D291-F344 PolarHBondContact O-N 3.34Å | ||
| 292 | P | 96 | Very high | 84.8 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -68.5 | 150.1 | -166.7 | 28.5 | -40.2 | 0 | 0 | 0 | 116.4 | L281 S290 H311 T314 P317 Y342 I353 | L281-P292 HydrophobicContact CD1-CB 3.64Å; L281-P292 HydrophobicContact CD1-CG 3.87Å; S290-P292 WeakPolarHBondContact O-CD 3.44Å; P292-H311 WeakPolarHBondContact CD-O 3.48Å; P292-H311 PolarHBondContact O-N 2.88Å; P292-T314 WeakPolarHBondContact CD-O 3.48Å; P292-T314 HydrophobicContact CG-CG2 4.19Å; P292-T314 VanDerWaalsContact CG-O 3.24Å; P292-T314 WeakPolarHBondContact CG-O 3.36Å; P292-P317 HydrophobicContact CB-CG 4.21Å; P292-P317 HydrophobicContact CG-CB 3.89Å; P292-P317 HydrophobicContact CG-CG 3.62Å; P292-Y342 CarbonylContact C-O 3.48Å; P292-Y342 VanDerWaalsContact CA-O 3.28Å; P292-Y342 WeakPolarHBondContact CA-O 3.35Å; P292-I353 HydrophobicContact CB-CD1 4.35Å | ||
| 293 | Y | 96.7 | Very high | 83.1 | Confident | 1 Ų | 1 | 53.2 Ų | 53.2 | 0% | 0.004 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 161.2 | 167.6 | 73.1 | -76.8 | 0 | 0 | 0 | 111.9 | K295 Q307 T308 R309 V310 Y342 D343 F344 H350 | Y293-K295 HydrophobicContact CE2-CD 4.38Å; Y293-K295 HydrophobicContact CE2-CG 3.93Å; Y293-K295 WeakPolarHBondContact OH-CE 3.34Å; Y293-K295 PolarHBondContact OH-NZ 3.17Å; Y293-K295 VanDerWaalsContact OH-NZ 3.15Å; Y293-Q307 HydrophobicContact CD2-CG 3.49Å; Y293-Q307 VanDerWaalsContact CD2-CG 3.49Å; Y293-Q307 VanDerWaalsContact CE2-CD 3.44Å; Y293-Q307 HydrophobicContact CE2-CG 3.79Å; Y293-T308 WeakPolarHBondContact CA-OG1 3.42Å; Y293-R309 WeakPolarHBondContact CB-O 3.22Å; Y293-V310 HydrophobicContact CD1-CG2 4.08Å; Y293-V310 HydrophobicContact CG-CG2 4.15Å; Y293-Y342 HydrophobicContact CE1-CG 4.36Å; Y293-Y342 HydrophobicContact CE2-CD2 4.48Å; Y293-Y342 VanDerWaalsContact CZ-CB 3.44Å; Y293-Y342 AromaticContact CZ-CG 3.98Å; Y293-Y342 PolarHBondContact N-O 3.13Å; Y293-Y342 PolarHBondContact O-N 2.73Å; Y293-Y342 WeakPolarHBondContact OH-CB 3.41Å; Y293-D343 WeakPolarHBondContact CE1-O 3.37Å; Y293-F344 HydrophobicContact CD1-CB 4.02Å; Y293-F344 HydrophobicContact CE1-CB 4.14Å; Y293-H350 HydrophobicContact CE1-CB 4.48Å; Y293-H350 AromaticContact CE1-ND1 3.74Å; Y293-H350 AromaticContact CZ-ND1 3.54Å; Y293-H350 PolarHBondContact OH-ND1 3.11Å |
| 294 | V | 96.6 | Very high | 82.3 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 132.2 | -177.9 | -171.8 | 0 | 0 | 0 | 0 | 110.9 | L258 I275 I296 Q307 T308 F319 F339 V341 | L258-V294 HydrophobicContact CD1-CG2 4.25Å; I275-V294 HydrophobicContact CG2-CG2 4.44Å; V294-I296 HydrophobicContact CG1-CG1 4.41Å; V294-Q307 CarbonylContact O-C 3.58Å; V294-Q307 VanDerWaalsContact O-CA 3.31Å; V294-Q307 WeakPolarHBondContact O-CA 3.5Å; V294-T308 HydrophobicContact CB-CG2 4.03Å; V294-T308 PolarHBondContact N-OG1 3.09Å; V294-T308 PolarHBondContact O-N 2.89Å; V294-F319 HydrophobicContact CG2-CE1 4.42Å; V294-F319 HydrophobicContact CG2-CE2 3.9Å; V294-F319 HydrophobicContact CG2-CZ 3.78Å; V294-F339 HydrophobicContact CG1-CB 4.03Å; V294-F339 HydrophobicContact CG1-CD1 4.34Å; V294-V341 HydrophobicContact CG2-CG2 4.21Å |
| 295 | K | 93.1 | Very high | 82.1 | Confident | 34 Ų | 34 | 57.6 Ų | 57.6 | 15% | 0.148 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 143 | 164.9 | -60.8 | 176.7 | -163.4 | 142.7 | 0 | 109.4 | Y293 Y297 F306 Q307 F339 S340 Y342 | Y293-K295 HydrophobicContact CE2-CD 4.38Å; Y293-K295 HydrophobicContact CE2-CG 3.93Å; Y293-K295 WeakPolarHBondContact OH-CE 3.34Å; Y293-K295 PolarHBondContact OH-NZ 3.17Å; Y293-K295 VanDerWaalsContact OH-NZ 3.15Å; K295-Y297 HydrophobicContact CB-CE2 3.82Å; K295-F306 CarbonylContact C-O 3.47Å; K295-F306 WeakPolarHBondContact CA-O 3.4Å; K295-Q307 HydrophobicContact CG-CG 4.13Å; K295-F339 WeakPolarHBondContact O-CA 3.5Å; K295-S340 PolarHBondContact N-O 3.41Å; K295-S340 PolarHBondContact O-N 2.86Å; K295-Y342 HydrophobicContact CD-CD2 3.89Å; K295-Y342 HydrophobicContact CD-CE2 3.54Å; K295-Y342 HydrophobicContact CG-CD2 4.13Å; K295-Y342 HydrophobicContact CG-CE2 4.14Å; K295-Y342 VanDerWaalsContact NZ-CD2 3.33Å |
| 296 | I | 93.8 | Very high | 82.8 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 130.1 | -174.9 | -38.2 | 171.6 | 0 | 0 | 0 | 110.1 | V273 I275 V294 K305 F306 F323 F325 L337 H338 F339 | V273-I296 HydrophobicContact CG1-CG2 4.49Å; I275-I296 HydrophobicContact CD1-CD1 3.76Å; I275-I296 HydrophobicContact CD1-CG1 4.35Å; I275-I296 HydrophobicContact CG1-CD1 3.63Å; I275-I296 HydrophobicContact CG1-CG1 4.47Å; V294-I296 HydrophobicContact CG1-CG1 4.41Å; I296-K305 WeakPolarHBondContact O-CA 3.44Å; I296-F306 HydrophobicContact CB-CB 4.35Å; I296-F306 HydrophobicContact CD1-CB 4.29Å; I296-F306 PolarHBondContact N-O 2.89Å; I296-F306 PolarHBondContact O-N 2.89Å; I296-F323 HydrophobicContact CD1-CB 4.46Å; I296-F323 HydrophobicContact CD1-CD2 3.28Å; I296-F323 HydrophobicContact CD1-CE2 3.58Å; I296-F323 HydrophobicContact CD1-CG 3.91Å; I296-F323 HydrophobicContact CD1-CZ 4.41Å; I296-F325 HydrophobicContact CB-CZ 4.14Å; I296-F325 HydrophobicContact CG2-CE2 3.82Å; I296-F325 HydrophobicContact CG2-CZ 3.74Å; I296-L337 HydrophobicContact CG2-CD1 3.74Å; I296-H338 WeakPolarHBondContact CA-O 3.35Å; I296-F339 HydrophobicContact CB-CD1 4.44Å; I296-F339 HydrophobicContact CG1-CD1 4.17Å; I296-F339 HydrophobicContact CG2-CD1 3.78Å; I296-F339 HydrophobicContact CG2-CE1 3.75Å |
| 297 | Y | 88.9 | Confident | 83.7 | Confident | 32 Ų | 32 | 52.5 Ų | 52.5 | 13% | 0.125 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 138.7 | 179.2 | -49.6 | -94 | 0 | 0 | 0 | 111.1 | K295 R302 K305 H338 | K295-Y297 HydrophobicContact CB-CE2 3.82Å; Y297-R302 HydrophobicContact CD1-CB 4.29Å; Y297-R302 HydrophobicContact CD1-CG 4.5Å; Y297-K305 HydrophobicContact CD1-CB 3.71Å; Y297-K305 HydrophobicContact CE1-CB 3.55Å; Y297-K305 HydrophobicContact CE1-CD 4.14Å; Y297-K305 HydrophobicContact CE1-CG 4.48Å; Y297-H338 AromaticContact CD2-ND1 3.78Å; Y297-H338 PolarHBondContact N-O 2.88Å; Y297-H338 PolarHBondContact O-N 2.91Å |
| 298 | L | 88.4 | Confident | 84.8 | Confident | 8 Ų | 8 | 48.7 Ų | 48.7 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 90 | 170.3 | -173 | 66.8 | 0 | 0 | 0 | 109.9 | L271 E301 F325 V327 R335 K336 L337 | L271-L298 HydrophobicContact CD2-CD1 4.12Å; L298-E301 PolarHBondContact O-N 2.81Å; L298-F325 HydrophobicContact CB-CD1 3.56Å; L298-F325 HydrophobicContact CB-CE1 3.75Å; L298-F325 HydrophobicContact CB-CG 3.98Å; L298-F325 HydrophobicContact CB-CZ 4.31Å; L298-F325 HydrophobicContact CD2-CB 3.79Å; L298-F325 HydrophobicContact CD2-CD1 4.35Å; L298-F325 HydrophobicContact CD2-CG 4.16Å; L298-V327 HydrophobicContact CD2-CB 4.07Å; L298-V327 HydrophobicContact CD2-CG1 3.9Å; L298-V327 HydrophobicContact CD2-CG2 4.26Å; L298-R335 HydrophobicContact CD1-CB 3.8Å; L298-R335 HydrophobicContact CD1-CG 4.41Å; L298-R335 HydrophobicContact CD2-CG 4.43Å; L298-R335 HydrophobicContact CG-CB 4.15Å; L298-R335 HydrophobicContact CG-CG 4.31Å; L298-K336 CarbonylContact C-O 3.59Å; L298-L337 HydrophobicContact CD1-CD1 4.36Å |
| 299 | L | 81 | Confident | 85.5 | Confident | 29 Ų | 29 | 54.8 Ų | 54.8 | 15% | 0.152 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 143.5 | -177 | -51.5 | -172.4 | 0 | 0 | 0 | 110.8 | R302 R335 K336 H338 | L299-R302 HydrophobicContact CD2-CG 3.59Å; L299-R335 VanDerWaalsContact O-CA 3.25Å; L299-R335 WeakPolarHBondContact O-CA 3.42Å; L299-R335 WeakPolarHBondContact O-CB 3.35Å; L299-R335 VanDerWaalsContact O-CD 3.3Å; L299-R335 WeakPolarHBondContact O-CD 3.39Å; L299-K336 HydrophobicContact CB-CB 4.26Å; L299-K336 WeakPolarHBondContact CB-O 3.42Å; L299-K336 PolarHBondContact N-O 2.77Å; L299-K336 PolarHBondContact O-N 2.63Å; L299-K336 VanDerWaalsContact O-N 3.12Å; L299-H338 HydrophobicContact CD1-CB 3.82Å; L299-H338 HydrophobicContact CD2-CB 4.24Å; L299-H338 HydrophobicContact CG-CB 3.88Å |
| 300 | P | 68.1 | Low | 85.8 | Confident | 93 Ų | 93 | 55.5 Ų | 55.5 | 60% | 0.604 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -83.1 | 1.7 | 7.1 | 33.1 | -36.3 | 0 | 0 | 0 | 115.5 | R302 | P300-R302 PolarHBondContact O-N 3.03Å; P300-R302 VanDerWaalsContact O-N 3.12Å |
| 301 | E | 65.7 | Low | 86 | Confident | 64 Ų | 64 | 57.9 Ų | 57.9 | 30% | 0.299 | 26% | 0.263 | S | S | . | . | trans | -90.2 | 72 | -170.8 | -165.9 | -174 | 152.1 | 0 | 0 | 113 | L298 K303 K304 R335 | L298-E301 PolarHBondContact O-N 2.81Å; E301-K303 HydrophobicContact CG-CB 4.48Å; E301-K303 PolarHBondContact O-N 2.79Å; E301-K304 WeakPolarHBondContact OE1-CE 3.35Å; E301-K304 IonicContact OE1-NZ 3.63Å; E301-K304 PolarHBondContact OE1-NZ 2.89Å; E301-K304 IonicContact OE2-NZ 3.17Å; E301-R335 IonicContact OE2-NH1 3.74Å; E301-R335 PolarHBondContact OE2-NH1 3.21Å; E301-R335 IonicContact OE2-NH2 2.65Å | ||
| 302 | R | 64.1 | Low | 86 | Confident | 76 Ų | 76 | 65.3 Ų | 65.3 | 29% | 0.287 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -4.1 | 179.5 | -60.4 | -161.7 | -162 | -108.4 | 15.7 | 115.9 | Y297 L299 P300 H338 D386 | Y297-R302 HydrophobicContact CD1-CB 4.29Å; Y297-R302 HydrophobicContact CD1-CG 4.5Å; L299-R302 HydrophobicContact CD2-CG 3.59Å; P300-R302 PolarHBondContact O-N 3.03Å; P300-R302 VanDerWaalsContact O-N 3.12Å; R302-H338 PolarHBondContact NH1-ND1 2.89Å; R302-H338 VanDerWaalsContact NH1-ND1 3.11Å; R302-D386 WeakPolarHBondContact CD-OD2 3.43Å; R302-D386 IonicContact CZ-OD2 3.01Å; R302-D386 IonicContact NE-OD2 2.92Å; R302-D386 PolarHBondContact NE-OD2 2.95Å; R302-D386 IonicContact NH2-OD2 2.87Å; R302-D386 PolarHBondContact NH2-OD2 3.48Å |
| 303 | K | 56.5 | Low | 85.8 | Confident | 190 Ų | 190 | 71.5 Ų | 71.5 | 83% | 0.826 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -40 | 178.7 | -67.5 | -176.7 | 179.9 | 178.6 | 0 | 112.5 | E301 | E301-K303 HydrophobicContact CG-CB 4.48Å; E301-K303 PolarHBondContact O-N 2.79Å |
| 304 | K | 72.1 | Confident | 85.7 | Confident | 86 Ų | 86 | 73.3 Ų | 73.3 | 37% | 0.374 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -91.8 | 105.5 | 174.4 | -66.5 | 172.9 | -172.4 | 132.3 | 0 | 107.5 | E301 | E301-K304 WeakPolarHBondContact OE1-CE 3.35Å; E301-K304 IonicContact OE1-NZ 3.63Å; E301-K304 PolarHBondContact OE1-NZ 2.89Å; E301-K304 IonicContact OE2-NZ 3.17Å |
| 305 | K | 81.8 | Confident | 85.6 | Confident | 144 Ų | 144 | 75.6 Ų | 75.6 | 63% | 0.626 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 136.1 | 173.8 | 68.4 | -173.1 | -179.3 | -176.2 | 0 | 109.4 | I296 Y297 | I296-K305 WeakPolarHBondContact O-CA 3.44Å; Y297-K305 HydrophobicContact CD1-CB 3.71Å; Y297-K305 HydrophobicContact CE1-CB 3.55Å; Y297-K305 HydrophobicContact CE1-CD 4.14Å; Y297-K305 HydrophobicContact CE1-CG 4.48Å |
| 306 | F | 91.3 | Very high | 85.8 | Confident | 68 Ų | 68 | 77.3 Ų | 77.3 | 30% | 0.298 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 161.5 | 167.6 | -68 | -71.4 | 0 | 0 | 0 | 110.2 | K295 I296 F323 R324 F325 | K295-F306 CarbonylContact C-O 3.47Å; K295-F306 WeakPolarHBondContact CA-O 3.4Å; I296-F306 HydrophobicContact CB-CB 4.35Å; I296-F306 HydrophobicContact CD1-CB 4.29Å; I296-F306 PolarHBondContact N-O 2.89Å; I296-F306 PolarHBondContact O-N 2.89Å; F306-F323 HydrophobicContact CB-CB 4.16Å; F306-F323 HydrophobicContact CB-CD1 3.5Å; F306-F323 VanDerWaalsContact CB-CD1 3.5Å; F306-F323 HydrophobicContact CB-CE1 4.01Å; F306-F323 HydrophobicContact CB-CG 3.84Å; F306-F323 HydrophobicContact CD1-CB 4.37Å; F306-F323 AromaticContact CD1-CD1 3.7Å; F306-F323 HydrophobicContact CD1-CD1 3.7Å; F306-F323 HydrophobicContact CD1-CG 4.42Å; F306-F323 HydrophobicContact CD2-CB 3.87Å; F306-F323 HydrophobicContact CD2-CD1 4.5Å; F306-F323 HydrophobicContact CD2-CG 4.47Å; F306-F323 HydrophobicContact CE2-CB 4.36Å; F306-F323 HydrophobicContact CG-CB 3.88Å; F306-F323 AromaticContact CG-CD1 3.65Å; F306-F323 HydrophobicContact CG-CD1 3.65Å; F306-F323 HydrophobicContact CG-CG 4.01Å; F306-R324 VanDerWaalsContact CE2-O 3.22Å; F306-R324 WeakPolarHBondContact CE2-O 3.4Å; F306-R324 WeakPolarHBondContact CZ-O 3.29Å; F306-F325 HydrophobicContact CD2-CD1 4.21Å; F306-F325 HydrophobicContact CD2-CD2 4.38Å; F306-F325 AromaticContact CD2-CE1 3.71Å; F306-F325 HydrophobicContact CD2-CE1 3.71Å; F306-F325 AromaticContact CD2-CE2 3.9Å; F306-F325 HydrophobicContact CD2-CE2 3.9Å; F306-F325 AromaticContact CD2-CZ 3.55Å; F306-F325 HydrophobicContact CD2-CZ 3.55Å; F306-F325 AromaticContact CE2-CD1 3.92Å; F306-F325 HydrophobicContact CE2-CD1 3.92Å; F306-F325 HydrophobicContact CE2-CD2 4.32Å; F306-F325 AromaticContact CE2-CE1 3.89Å; F306-F325 HydrophobicContact CE2-CE1 3.89Å; F306-F325 HydrophobicContact CE2-CE2 4.29Å; F306-F325 HydrophobicContact CE2-CG 4.16Å; F306-F325 HydrophobicContact CE2-CZ 4.09Å |
| 307 | Q | 93.1 | Very high | 85.9 | Confident | 101 Ų | 101 | 77.4 Ų | 77.4 | 47% | 0.472 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 137.8 | 179.7 | -163.5 | -170.9 | -74.8 | 0 | 0 | 109.5 | Y293 V294 K295 | Y293-Q307 HydrophobicContact CD2-CG 3.49Å; Y293-Q307 VanDerWaalsContact CD2-CG 3.49Å; Y293-Q307 VanDerWaalsContact CE2-CD 3.44Å; Y293-Q307 HydrophobicContact CE2-CG 3.79Å; V294-Q307 CarbonylContact O-C 3.58Å; V294-Q307 VanDerWaalsContact O-CA 3.31Å; V294-Q307 WeakPolarHBondContact O-CA 3.5Å; K295-Q307 HydrophobicContact CG-CG 4.13Å |
| 308 | T | 97.4 | Very high | 86.3 | Confident | 5 Ų | 5 | 80 Ų | 80 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 169.5 | 168.7 | 68.2 | 0 | 0 | 0 | 0 | 111.6 | I275 Y293 V294 F319 E321 F323 | I275-T308 HydrophobicContact CB-CG2 4.21Å; I275-T308 HydrophobicContact CG1-CG2 4.14Å; I275-T308 HydrophobicContact CG2-CG2 4.31Å; Y293-T308 WeakPolarHBondContact CA-OG1 3.42Å; V294-T308 HydrophobicContact CB-CG2 4.03Å; V294-T308 PolarHBondContact N-OG1 3.09Å; V294-T308 PolarHBondContact O-N 2.89Å; T308-F319 HydrophobicContact CG2-CB 4.34Å; T308-F319 HydrophobicContact CG2-CD1 3.98Å; T308-F319 HydrophobicContact CG2-CG 4.18Å; T308-E321 WeakPolarHBondContact CA-OE1 3.45Å; T308-E321 VanDerWaalsContact CB-OE1 3.28Å; T308-E321 WeakPolarHBondContact CB-OE1 3.26Å; T308-F323 HydrophobicContact CG2-CE2 4.1Å; T308-F323 HydrophobicContact CG2-CZ 4.1Å |
| 309 | R | 96.2 | Very high | 86.7 | Confident | 176 Ų | 176 | 80.3 Ų | 80.3 | 66% | 0.664 | 37% | 0.372 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 158.3 | 159.9 | -64.2 | 166.7 | -156.2 | -145.3 | 0 | 110.6 | Y293 E321 | Y293-R309 WeakPolarHBondContact CB-O 3.22Å; R309-E321 WeakPolarHBondContact CD-OE2 3.22Å; R309-E321 WeakPolarHBondContact CG-OE2 3.19Å; R309-E321 IonicContact CZ-OE2 3.65Å; R309-E321 PolarHBondContact N-OE1 2.79Å; R309-E321 IonicContact NE-OE2 2.71Å; R309-E321 PolarHBondContact NE-OE2 3.48Å; R309-E321 IonicContact NH2-OE2 2.75Å |
| 310 | V | 95.8 | Very high | 87.4 | Confident | 44 Ų | 44 | 83.2 Ų | 83.2 | 27% | 0.267 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -85.7 | 119.9 | 170.8 | 172.4 | 0 | 0 | 0 | 0 | 108.6 | D291 Y293 F344 | D291-V310 HydrophobicContact CB-CG1 3.89Å; D291-V310 WeakPolarHBondContact O-CG1 3.43Å; Y293-V310 HydrophobicContact CD1-CG2 4.08Å; Y293-V310 HydrophobicContact CG-CG2 4.15Å; V310-F344 HydrophobicContact CB-CB 4.36Å; V310-F344 HydrophobicContact CB-CG 4.4Å; V310-F344 HydrophobicContact CG1-CB 3.56Å; V310-F344 HydrophobicContact CG1-CD1 3.91Å; V310-F344 HydrophobicContact CG1-CG 3.79Å; V310-F344 HydrophobicContact CG2-CB 3.81Å; V310-F344 HydrophobicContact CG2-CD1 4.45Å; V310-F344 HydrophobicContact CG2-CD2 3.86Å; V310-F344 HydrophobicContact CG2-CG 3.75Å |
| 311 | H | 95.3 | Very high | 88.8 | Confident | 49 Ų | 49 | 80.2 Ų | 80.2 | 23% | 0.227 | 37% | 0.365 | C | S | . | . | trans | -99.3 | 114.1 | 176.8 | -75.2 | -104.9 | 0 | 0 | 0 | 109.1 | D291 P292 T314 P317 T318 F319 | D291-H311 CarbonylContact C-O 3.54Å; D291-H311 VanDerWaalsContact CA-O 3.3Å; D291-H311 WeakPolarHBondContact CA-O 3.46Å; P292-H311 WeakPolarHBondContact CD-O 3.48Å; P292-H311 PolarHBondContact O-N 2.88Å; H311-T314 HydrophobicContact CB-CG2 3.88Å; H311-P317 HydrophobicContact CB-CB 3.83Å; H311-T318 PolarHBondContact CE1-O 3.46Å; H311-T318 PolarHBondContact ND1-O 3Å; H311-F319 AromaticContact CD2-CD1 3.36Å; H311-F319 WeakPolarHBondContact CD2-CD1 2.97Å; H311-F319 AromaticContact CD2-CE1 3.63Å; H311-F319 AromaticContact NE2-CD1 3.58Å | ||
| 312 | R | 93.5 | Very high | 90.3 | Very high | 172 Ų | 172 | 80.3 Ų | 80.3 | 65% | 0.649 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | 141.8 | -170.6 | -64.4 | -145.8 | 159.6 | 98.7 | 7.4 | 114.3 | D291 T314 | D291-R312 WeakPolarHBondContact OD1-CA 3.29Å; D291-R312 WeakPolarHBondContact OD1-CB 3.33Å; D291-R312 WeakPolarHBondContact OD2-CD 3.31Å; D291-R312 WeakPolarHBondContact OD2-CG 3.36Å; D291-R312 IonicContact OD2-NE 3.54Å; D291-R312 PolarHBondContact OD2-NE 2.7Å; R312-T314 PolarHBondContact O-N 3.32Å |
| 313 | K | 92.1 | Very high | 91.8 | Very high | 130 Ų | 130 | 77.8 Ų | 77.8 | 57% | 0.565 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48 | 50.6 | 169 | -59.1 | -165.6 | 172.5 | -162.8 | 0 | 114 | T289 S290 D291 | T289-K313 HydrophobicContact CG2-CB 4.2Å; S290-K313 CarbonylContact O-C 3.54Å; S290-K313 WeakPolarHBondContact O-CA 3.27Å; S290-K313 PolarHBondContact O-N 3.47Å; S290-K313 VanDerWaalsContact O-N 3.1Å; D291-K313 PolarHBondContact OD1-N 3.04Å |
| 314 | T | 95.1 | Very high | 93.6 | Very high | 38 Ų | 38 | 75 Ų | 75 | 23% | 0.233 | 35% | 0.346 | C | S | . | . | trans | -142.8 | 136.1 | 179.6 | -177.3 | 0 | 0 | 0 | 0 | 112.2 | S290 P292 H311 R312 N316 P317 | S290-T314 PolarHBondContact O-N 3.3Å; P292-T314 WeakPolarHBondContact CD-O 3.48Å; P292-T314 HydrophobicContact CG-CG2 4.19Å; P292-T314 VanDerWaalsContact CG-O 3.24Å; P292-T314 WeakPolarHBondContact CG-O 3.36Å; H311-T314 HydrophobicContact CB-CG2 3.88Å; R312-T314 PolarHBondContact O-N 3.32Å; T314-N316 PolarHBondContact OG1-N 2.93Å; T314-N316 PolarHBondContact OG1-O 2.78Å; T314-P317 HydrophobicContact CG2-CB 3.89Å | ||
| 315 | L | 94.9 | Very high | 94.6 | Very high | 49 Ų | 49 | 71.1 Ų | 71.1 | 26% | 0.257 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -93.1 | -1.7 | 170.6 | -54.2 | -176.7 | 0 | 0 | 0 | 112.2 | D280 L281 A283 | D280-L315 PolarHBondContact N-O 3.11Å; L281-L315 HydrophobicContact CB-CB 4.43Å; L281-L315 WeakPolarHBondContact CB-O 3.2Å; L281-L315 WeakPolarHBondContact CG-O 3.39Å; L281-L315 PolarHBondContact N-O 3.34Å; L281-L315 WeakPolarHBondContact O-CB 3.22Å; A283-L315 HydrophobicContact CB-CD1 4.3Å; A283-L315 HydrophobicContact CB-CD2 4.17Å |
| 316 | N | 96.2 | Very high | 95.1 | Very high | 70 Ų | 70 | 68 Ų | 68 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -134.7 | 60 | -177.4 | -66.5 | -84.4 | 0 | 0 | 0 | 110.4 | A278 L279 D280 T314 | A278-N316 CarbonylContact O-C 3.07Å; A278-N316 WeakPolarHBondContact O-CA 3.22Å; L279-N316 VanDerWaalsContact CA-OD1 3.23Å; L279-N316 WeakPolarHBondContact CA-OD1 3.31Å; L279-N316 HydrophobicContact CD2-CB 4.2Å; L279-N316 VanDerWaalsContact CD2-OD1 3.22Å; L279-N316 WeakPolarHBondContact CD2-OD1 3.36Å; D280-N316 PolarHBondContact N-OD1 3.21Å; D280-N316 VanDerWaalsContact N-OD1 3.1Å; T314-N316 PolarHBondContact OG1-N 2.93Å; T314-N316 PolarHBondContact OG1-O 2.78Å |
| 317 | P | 96.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.006 | 31% | 0.312 | C | S | . | . | trans | -67 | 137 | -177.2 | 29.7 | -37 | 0 | 0 | 0 | 111.7 | K277 A278 L281 P292 H311 T314 F319 | K277-P317 CarbonylContact C-O 3.4Å; K277-P317 WeakPolarHBondContact CA-O 3.37Å; K277-P317 WeakPolarHBondContact CB-O 3.28Å; A278-P317 HydrophobicContact CB-CG 3.94Å; A278-P317 PolarHBondContact N-O 2.94Å; L281-P317 HydrophobicContact CD1-CG 3.89Å; P292-P317 HydrophobicContact CB-CG 4.21Å; P292-P317 HydrophobicContact CG-CB 3.89Å; P292-P317 HydrophobicContact CG-CG 3.62Å; H311-P317 HydrophobicContact CB-CB 3.83Å; T314-P317 HydrophobicContact CG2-CB 3.89Å; P317-F319 HydrophobicContact CB-CD2 4.48Å; P317-F319 HydrophobicContact CB-CE1 3.93Å; P317-F319 HydrophobicContact CB-CE2 3.89Å; P317-F319 HydrophobicContact CB-CZ 3.58Å; P317-F319 HydrophobicContact CG-CE1 4.24Å; P317-F319 HydrophobicContact CG-CE2 3.58Å; P317-F319 HydrophobicContact CG-CZ 3.39Å | ||
| 318 | T | 97.3 | Very high | 95 | Very high | 88 Ų | 88 | 62.2 Ų | 62.2 | 54% | 0.54 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 110.2 | 166.5 | -60.1 | 0 | 0 | 0 | 0 | 108.1 | L276 K277 H311 | L276-T318 CarbonylContact O-C 3.42Å; K277-T318 HydrophobicContact CB-CG2 4.4Å; H311-T318 PolarHBondContact CE1-O 3.46Å; H311-T318 PolarHBondContact ND1-O 3Å |
| 319 | F | 96.7 | Very high | 94.6 | Very high | 14 Ų | 14 | 66 Ų | 66 | 6% | 0.061 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | -52.3 | -173.4 | -57.6 | -79.1 | 0 | 0 | 0 | 111.1 | I275 L276 A278 V294 T308 H311 P317 E321 | I275-F319 HydrophobicContact CB-CB 4.43Å; I275-F319 HydrophobicContact CG2-CB 4.12Å; I275-F319 HydrophobicContact CG2-CD2 3.54Å; I275-F319 HydrophobicContact CG2-CE2 4.2Å; I275-F319 HydrophobicContact CG2-CG 4.02Å; L276-F319 PolarHBondContact O-N 2.82Å; A278-F319 HydrophobicContact CB-CE2 4.29Å; V294-F319 HydrophobicContact CG2-CE1 4.42Å; V294-F319 HydrophobicContact CG2-CE2 3.9Å; V294-F319 HydrophobicContact CG2-CZ 3.78Å; T308-F319 HydrophobicContact CG2-CB 4.34Å; T308-F319 HydrophobicContact CG2-CD1 3.98Å; T308-F319 HydrophobicContact CG2-CG 4.18Å; H311-F319 AromaticContact CD2-CD1 3.36Å; H311-F319 WeakPolarHBondContact CD2-CD1 2.97Å; H311-F319 AromaticContact CD2-CE1 3.63Å; H311-F319 AromaticContact NE2-CD1 3.58Å; P317-F319 HydrophobicContact CB-CD2 4.48Å; P317-F319 HydrophobicContact CB-CE1 3.93Å; P317-F319 HydrophobicContact CB-CE2 3.89Å; P317-F319 HydrophobicContact CB-CZ 3.58Å; P317-F319 HydrophobicContact CG-CE1 4.24Å; P317-F319 HydrophobicContact CG-CE2 3.58Å; P317-F319 HydrophobicContact CG-CZ 3.39Å; F319-E321 VanDerWaalsContact C-N 3.33Å; F319-E321 PolarHBondContact O-N 2.73Å |
| 320 | D | 95.9 | Very high | 94.3 | Very high | 89 Ų | 89 | 64 Ų | 64 | 48% | 0.476 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 46.6 | 47.7 | -171.1 | -154.9 | 6.8 | 0 | 0 | 0 | 114.5 | R274 I275 L276 | R274-D320 IonicContact CZ-OD1 2.74Å; R274-D320 IonicContact NE-OD1 2.59Å; R274-D320 PolarHBondContact NE-OD1 2.84Å; R274-D320 IonicContact NH2-OD1 3.28Å; R274-D320 PolarHBondContact NH2-OD1 2.65Å; R274-D320 IonicContact NH2-OD2 2.7Å; R274-D320 PolarHBondContact NH2-OD2 2.73Å; I275-D320 VanDerWaalsContact O-CA 3.24Å; I275-D320 WeakPolarHBondContact O-CA 3.11Å; I275-D320 PolarHBondContact O-N 2.76Å; L276-D320 PolarHBondContact O-N 2.92Å; L276-D320 VanDerWaalsContact O-N 3.16Å |
| 321 | E | 97.3 | Very high | 93.8 | Very high | 30 Ų | 30 | 66.2 Ų | 66.2 | 14% | 0.14 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 134.9 | -179.1 | -68.1 | -167.4 | -75.7 | 0 | 0 | 112.2 | R274 I275 T308 R309 F319 F323 | R274-E321 CarbonylContact C-O 3.57Å; R274-E321 WeakPolarHBondContact CA-O 3.46Å; I275-E321 PolarHBondContact N-O 3.23Å; I275-E321 PolarHBondContact O-N 2.87Å; T308-E321 WeakPolarHBondContact CA-OE1 3.45Å; T308-E321 VanDerWaalsContact CB-OE1 3.28Å; T308-E321 WeakPolarHBondContact CB-OE1 3.26Å; R309-E321 WeakPolarHBondContact CD-OE2 3.22Å; R309-E321 WeakPolarHBondContact CG-OE2 3.19Å; R309-E321 IonicContact CZ-OE2 3.65Å; R309-E321 PolarHBondContact N-OE1 2.79Å; R309-E321 IonicContact NE-OE2 2.71Å; R309-E321 PolarHBondContact NE-OE2 3.48Å; R309-E321 IonicContact NH2-OE2 2.75Å; F319-E321 VanDerWaalsContact C-N 3.33Å; F319-E321 PolarHBondContact O-N 2.73Å; E321-F323 HydrophobicContact CB-CE2 3.7Å; E321-F323 HydrophobicContact CB-CZ 3.64Å; E321-F323 WeakPolarHBondContact O-CE2 3.35Å |
| 322 | T | 96.8 | Very high | 93.4 | Very high | 67 Ų | 67 | 64 Ų | 64 | 41% | 0.411 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 129.3 | -174.8 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | V272 R274 | V272-T322 HydrophobicContact CG1-CG2 3.47Å; V272-T322 VanDerWaalsContact CG1-CG2 3.47Å; R274-T322 HydrophobicContact CB-CG2 4.33Å; R274-T322 WeakPolarHBondContact CG-OG1 3.36Å |
| 323 | F | 95.8 | Very high | 92.9 | Very high | 23 Ų | 23 | 59.4 Ų | 59.4 | 10% | 0.101 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 155.8 | -176.6 | -53.1 | -80.1 | 0 | 0 | 0 | 110.5 | V272 V273 I275 I296 F306 T308 E321 | V272-F323 WeakPolarHBondContact CA-O 3.32Å; V273-F323 PolarHBondContact N-O 3.25Å; V273-F323 PolarHBondContact O-N 3.43Å; I275-F323 HydrophobicContact CG1-CD2 4.28Å; I275-F323 HydrophobicContact CG1-CE2 3.96Å; I296-F323 HydrophobicContact CD1-CB 4.46Å; I296-F323 HydrophobicContact CD1-CD2 3.28Å; I296-F323 HydrophobicContact CD1-CE2 3.58Å; I296-F323 HydrophobicContact CD1-CG 3.91Å; I296-F323 HydrophobicContact CD1-CZ 4.41Å; F306-F323 HydrophobicContact CB-CB 4.16Å; F306-F323 HydrophobicContact CB-CD1 3.5Å; F306-F323 VanDerWaalsContact CB-CD1 3.5Å; F306-F323 HydrophobicContact CB-CE1 4.01Å; F306-F323 HydrophobicContact CB-CG 3.84Å; F306-F323 HydrophobicContact CD1-CB 4.37Å; F306-F323 AromaticContact CD1-CD1 3.7Å; F306-F323 HydrophobicContact CD1-CD1 3.7Å; F306-F323 HydrophobicContact CD1-CG 4.42Å; F306-F323 HydrophobicContact CD2-CB 3.87Å; F306-F323 HydrophobicContact CD2-CD1 4.5Å; F306-F323 HydrophobicContact CD2-CG 4.47Å; F306-F323 HydrophobicContact CE2-CB 4.36Å; F306-F323 HydrophobicContact CG-CB 3.88Å; F306-F323 AromaticContact CG-CD1 3.65Å; F306-F323 HydrophobicContact CG-CD1 3.65Å; F306-F323 HydrophobicContact CG-CG 4.01Å; T308-F323 HydrophobicContact CG2-CE2 4.1Å; T308-F323 HydrophobicContact CG2-CZ 4.1Å; E321-F323 HydrophobicContact CB-CE2 3.7Å; E321-F323 HydrophobicContact CB-CZ 3.64Å; E321-F323 WeakPolarHBondContact O-CE2 3.35Å |
| 324 | R | 94.9 | Very high | 92.4 | Very high | 132 Ų | 132 | 59.5 Ų | 59.5 | 50% | 0.498 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 119.2 | -177.7 | -71.2 | -176.8 | 170.7 | 77.1 | -2.8 | 110.8 | A270 V272 F306 | A270-R324 HydrophobicContact CB-CB 4.5Å; V272-R324 HydrophobicContact CG2-CG 4.33Å; F306-R324 VanDerWaalsContact CE2-O 3.22Å; F306-R324 WeakPolarHBondContact CE2-O 3.4Å; F306-R324 WeakPolarHBondContact CZ-O 3.29Å |
| 325 | F | 93 | Very high | 91.9 | Very high | 4 Ų | 4 | 59.4 Ų | 59.4 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 110.1 | 171.2 | -67.5 | -88.1 | 0 | 0 | 0 | 109.3 | A270 L271 V273 I296 L298 F306 V327 L337 | A270-F325 CarbonylContact C-O 3.54Å; A270-F325 VanDerWaalsContact CA-O 3.27Å; A270-F325 WeakPolarHBondContact CA-O 3.04Å; L271-F325 HydrophobicContact CB-CB 4.45Å; L271-F325 PolarHBondContact N-O 2.83Å; L271-F325 PolarHBondContact O-N 2.76Å; V273-F325 HydrophobicContact CB-CE2 4.45Å; V273-F325 HydrophobicContact CG2-CD2 3.91Å; V273-F325 HydrophobicContact CG2-CE2 4.01Å; I296-F325 HydrophobicContact CB-CZ 4.14Å; I296-F325 HydrophobicContact CG2-CE2 3.82Å; I296-F325 HydrophobicContact CG2-CZ 3.74Å; L298-F325 HydrophobicContact CB-CD1 3.56Å; L298-F325 HydrophobicContact CB-CE1 3.75Å; L298-F325 HydrophobicContact CB-CG 3.98Å; L298-F325 HydrophobicContact CB-CZ 4.31Å; L298-F325 HydrophobicContact CD2-CB 3.79Å; L298-F325 HydrophobicContact CD2-CD1 4.35Å; L298-F325 HydrophobicContact CD2-CG 4.16Å; F306-F325 HydrophobicContact CD2-CD1 4.21Å; F306-F325 HydrophobicContact CD2-CD2 4.38Å; F306-F325 AromaticContact CD2-CE1 3.71Å; F306-F325 HydrophobicContact CD2-CE1 3.71Å; F306-F325 AromaticContact CD2-CE2 3.9Å; F306-F325 HydrophobicContact CD2-CE2 3.9Å; F306-F325 AromaticContact CD2-CZ 3.55Å; F306-F325 HydrophobicContact CD2-CZ 3.55Å; F306-F325 AromaticContact CE2-CD1 3.92Å; F306-F325 HydrophobicContact CE2-CD1 3.92Å; F306-F325 HydrophobicContact CE2-CD2 4.32Å; F306-F325 AromaticContact CE2-CE1 3.89Å; F306-F325 HydrophobicContact CE2-CE1 3.89Å; F306-F325 HydrophobicContact CE2-CE2 4.29Å; F306-F325 HydrophobicContact CE2-CG 4.16Å; F306-F325 HydrophobicContact CE2-CZ 4.09Å; F325-V327 PolarHBondContact O-N 2.73Å; F325-L337 HydrophobicContact CE2-CD1 3.95Å; F325-L337 HydrophobicContact CZ-CD1 4.38Å |
| 326 | P | 91.9 | Very high | 91.6 | Very high | 77 Ų | 77 | 61.2 Ų | 61.2 | 50% | 0.5 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 117.5 | 173.6 | 27.6 | -33 | 0 | 0 | 0 | 109.5 | ||
| 327 | V | 90.4 | Very high | 91.4 | Very high | 11 Ų | 11 | 57.9 Ų | 57.9 | 7% | 0.067 | 30% | 0.302 | C | S | . | . | trans | -162.8 | 133.6 | -174.6 | 63.5 | 0 | 0 | 0 | 0 | 108.8 | Y264 Q269 L271 L298 F325 E331 L332 R335 | Y264-V327 WeakPolarHBondContact CE2-O 3.38Å; Y264-V327 PolarHBondContact OH-O 2.97Å; Q269-V327 CarbonylContact C-O 3.57Å; Q269-V327 CarbonylContact O-C 3.54Å; Q269-V327 PolarHBondContact O-N 2.66Å; L271-V327 HydrophobicContact CB-CG1 4.02Å; L298-V327 HydrophobicContact CD2-CB 4.07Å; L298-V327 HydrophobicContact CD2-CG1 3.9Å; L298-V327 HydrophobicContact CD2-CG2 4.26Å; F325-V327 PolarHBondContact O-N 2.73Å; V327-E331 HydrophobicContact CG2-CB 3.99Å; V327-L332 HydrophobicContact CG1-CD2 3.55Å; V327-L332 HydrophobicContact CG1-CG 4.32Å; V327-L332 HydrophobicContact CG2-CD2 4.36Å; V327-R335 HydrophobicContact CG2-CG 4.4Å | ||
| 328 | A | 91.5 | Very high | 91.2 | Very high | 38 Ų | 38 | 58.1 Ų | 58.1 | 31% | 0.314 | 30% | 0.303 | S | S | . | . | trans | -67.6 | 143.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D330 E331 | A328-D330 VanDerWaalsContact C-N 3.29Å; A328-D330 PolarHBondContact O-N 2.68Å; A328-E331 HydrophobicContact CB-CG 4.43Å; A328-E331 WeakPolarHBondContact O-CB 3.43Å; A328-E331 PolarHBondContact O-N 3.2Å | ||
| 329 | Y | 90.1 | Very high | 91 | Very high | 84 Ų | 84 | 53.9 Ų | 53.9 | 33% | 0.329 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -51.2 | -46.4 | -176.7 | -174 | -97.6 | 0 | 0 | 0 | 112.8 | Y264 Y266 E331 L332 F362 | Y264-Y329 AromaticContact CD1-CD2 3.64Å; Y264-Y329 HydrophobicContact CD1-CD2 3.64Å; Y264-Y329 HydrophobicContact CD1-CE2 4.37Å; Y264-Y329 HydrophobicContact CD2-CD2 4.36Å; Y264-Y329 AromaticContact CE1-CD2 3.82Å; Y264-Y329 HydrophobicContact CE1-CD2 3.82Å; Y264-Y329 HydrophobicContact CE1-CG 4.33Å; Y264-Y329 AromaticContact CG-CD2 3.92Å; Y264-Y329 HydrophobicContact CG-CD2 3.92Å; Y264-Y329 PolarHBondContact OH-N 3.28Å; Y266-Y329 AromaticContact CE1-CD2 3.72Å; Y266-Y329 HydrophobicContact CE1-CD2 3.72Å; Y266-Y329 AromaticContact CE1-CE2 3.81Å; Y266-Y329 HydrophobicContact CE1-CE2 3.81Å; Y266-Y329 HydrophobicContact CE1-CG 4.31Å; Y266-Y329 AromaticContact CZ-CE2 3.82Å; Y266-Y329 VanDerWaalsContact OH-CE2 3.22Å; Y266-Y329 WeakPolarHBondContact OH-CE2 3.42Å; Y329-E331 PolarHBondContact O-N 3.01Å; Y329-L332 HydrophobicContact CD2-CD1 4.3Å; Y329-L332 WeakPolarHBondContact O-CB 3.44Å; Y329-L332 PolarHBondContact O-N 3.5Å; Y329-L332 VanDerWaalsContact O-N 3.14Å; Y329-F362 HydrophobicContact CD2-CE1 4.39Å; Y329-F362 HydrophobicContact CE1-CE1 4.05Å; Y329-F362 HydrophobicContact CE1-CZ 4.22Å; Y329-F362 AromaticContact CE2-CE1 3.68Å; Y329-F362 HydrophobicContact CE2-CE1 3.68Å; Y329-F362 HydrophobicContact CE2-CZ 4.33Å; Y329-F362 AromaticContact CZ-CE1 3.48Å; Y329-F362 VanDerWaalsContact CZ-CE1 3.48Å; Y329-F362 WeakPolarHBondContact OH-CE1 3.22Å |
| 330 | D | 88.3 | Confident | 90.8 | Very high | 135 Ų | 135 | 53.4 Ų | 53.4 | 72% | 0.722 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -65.5 | -24 | -178.7 | -57.7 | -35 | 0 | 0 | 0 | 113.4 | A328 C333 | A328-D330 VanDerWaalsContact C-N 3.29Å; A328-D330 PolarHBondContact O-N 2.68Å; D330-C333 PolarHBondContact O-SG 2.91Å |
| 331 | E | 86.4 | Confident | 90.7 | Very high | 90 Ų | 90 | 49.2 Ų | 49.2 | 42% | 0.421 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -75.9 | -24.7 | 176.4 | -69.2 | -168.1 | -163.2 | 0 | 0 | 112.8 | V327 A328 Y329 C333 N334 R335 | V327-E331 HydrophobicContact CG2-CB 3.99Å; A328-E331 HydrophobicContact CB-CG 4.43Å; A328-E331 WeakPolarHBondContact O-CB 3.43Å; A328-E331 PolarHBondContact O-N 3.2Å; Y329-E331 PolarHBondContact O-N 3.01Å; E331-C333 PolarHBondContact O-N 2.98Å; E331-C333 VanDerWaalsContact O-N 3.09Å; E331-N334 PolarHBondContact O-N 3.39Å; E331-R335 IonicContact OE2-CZ 2.9Å; E331-R335 IonicContact OE2-NE 3.88Å; E331-R335 IonicContact OE2-NH2 2.82Å; E331-R335 PolarHBondContact OE2-NH2 2.88Å |
| 332 | L | 86.5 | Confident | 90.5 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -57.3 | -29.4 | -172.9 | -71 | 173.3 | 0 | 0 | 0 | 113.3 | Y264 L271 V327 Y329 N334 R335 L361 F362 L367 | Y264-L332 HydrophobicContact CD2-CD1 3.66Å; Y264-L332 HydrophobicContact CE2-CD1 3.93Å; Y264-L332 HydrophobicContact CG-CD1 4.45Å; L271-L332 HydrophobicContact CB-CD2 4.24Å; L271-L332 HydrophobicContact CD2-CD2 4.19Å; V327-L332 HydrophobicContact CG1-CD2 3.55Å; V327-L332 HydrophobicContact CG1-CG 4.32Å; V327-L332 HydrophobicContact CG2-CD2 4.36Å; Y329-L332 HydrophobicContact CD2-CD1 4.3Å; Y329-L332 WeakPolarHBondContact O-CB 3.44Å; Y329-L332 PolarHBondContact O-N 3.5Å; Y329-L332 VanDerWaalsContact O-N 3.14Å; L332-N334 PolarHBondContact O-N 3Å; L332-R335 PolarHBondContact O-N 2.81Å; L332-R335 VanDerWaalsContact O-N 3.08Å; L332-L361 HydrophobicContact CD2-CD1 4.16Å; L332-F362 HydrophobicContact CB-CE2 3.91Å; L332-F362 HydrophobicContact CB-CZ 3.72Å; L332-F362 HydrophobicContact CD1-CE1 4.44Å; L332-F362 HydrophobicContact CD1-CZ 4.16Å; L332-L367 HydrophobicContact CD1-CD1 3.92Å |
| 333 | C | 83.6 | Confident | 90.1 | Very high | 77 Ų | 77 | 46.2 Ų | 46.2 | 52% | 0.52 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -63.4 | -20.8 | 177.7 | 65.8 | 0 | 0 | 0 | 0 | 113.3 | D330 E331 F362 | D330-C333 PolarHBondContact O-SG 2.91Å; E331-C333 PolarHBondContact O-N 2.98Å; E331-C333 VanDerWaalsContact O-N 3.09Å; C333-F362 HydrophobicContact CB-CE2 4.01Å |
| 334 | N | 81.6 | Confident | 89.7 | Confident | 132 Ų | 132 | 47.8 Ų | 47.8 | 71% | 0.706 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -106.3 | 7.5 | 177.2 | -64.6 | -71.5 | 0 | 0 | 0 | 113 | E331 L332 | E331-N334 PolarHBondContact O-N 3.39Å; L332-N334 PolarHBondContact O-N 3Å |
| 335 | R | 83.9 | Confident | 88.9 | Confident | 35 Ų | 35 | 43.4 Ų | 43.4 | 13% | 0.132 | 23% | 0.227 | C | C | . | . | trans | -102.9 | 152.9 | 177.7 | -57.5 | -61.2 | -173.6 | 136.2 | -4.3 | 110.7 | L298 L299 E301 V327 E331 L332 | L298-R335 HydrophobicContact CD1-CB 3.8Å; L298-R335 HydrophobicContact CD1-CG 4.41Å; L298-R335 HydrophobicContact CD2-CG 4.43Å; L298-R335 HydrophobicContact CG-CB 4.15Å; L298-R335 HydrophobicContact CG-CG 4.31Å; L299-R335 VanDerWaalsContact O-CA 3.25Å; L299-R335 WeakPolarHBondContact O-CA 3.42Å; L299-R335 WeakPolarHBondContact O-CB 3.35Å; L299-R335 VanDerWaalsContact O-CD 3.3Å; L299-R335 WeakPolarHBondContact O-CD 3.39Å; E301-R335 IonicContact OE2-NH1 3.74Å; E301-R335 PolarHBondContact OE2-NH1 3.21Å; E301-R335 IonicContact OE2-NH2 2.65Å; V327-R335 HydrophobicContact CG2-CG 4.4Å; E331-R335 IonicContact OE2-CZ 2.9Å; E331-R335 IonicContact OE2-NE 3.88Å; E331-R335 IonicContact OE2-NH2 2.82Å; E331-R335 PolarHBondContact OE2-NH2 2.88Å; L332-R335 PolarHBondContact O-N 2.81Å; L332-R335 VanDerWaalsContact O-N 3.08Å | ||
| 336 | K | 88.8 | Confident | 88 | Confident | 87 Ų | 87 | 52.7 Ų | 52.7 | 38% | 0.378 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 137.1 | 166.3 | -56.8 | -163.7 | 178.9 | -154.7 | 0 | 109.4 | L298 L299 V357 V358 D359 | L298-K336 CarbonylContact C-O 3.59Å; L299-K336 HydrophobicContact CB-CB 4.26Å; L299-K336 WeakPolarHBondContact CB-O 3.42Å; L299-K336 PolarHBondContact N-O 2.77Å; L299-K336 PolarHBondContact O-N 2.63Å; L299-K336 VanDerWaalsContact O-N 3.12Å; K336-V357 HydrophobicContact CD-CG1 4.11Å; K336-V358 CarbonylContact C-O 3.45Å; K336-V358 WeakPolarHBondContact CA-O 3.39Å; K336-D359 HydrophobicContact CD-CB 3.8Å; K336-D359 HydrophobicContact CG-CB 3.98Å; K336-D359 IonicContact NZ-OD2 2.73Å; K336-D359 PolarHBondContact NZ-OD2 2.87Å |
| 337 | L | 92.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 125.3 | 174.3 | -173.2 | 63.4 | 0 | 0 | 0 | 108.6 | L262 V273 I296 L298 F325 F339 V358 L361 | L262-L337 HydrophobicContact CD2-CD2 3.55Å; V273-L337 HydrophobicContact CG1-CD2 3.94Å; V273-L337 HydrophobicContact CG2-CD1 4.17Å; V273-L337 HydrophobicContact CG2-CD2 3.84Å; I296-L337 HydrophobicContact CG2-CD1 3.74Å; L298-L337 HydrophobicContact CD1-CD1 4.36Å; F325-L337 HydrophobicContact CE2-CD1 3.95Å; F325-L337 HydrophobicContact CZ-CD1 4.38Å; L337-F339 HydrophobicContact CD2-CE1 4.04Å; L337-F339 HydrophobicContact CD2-CE2 4Å; L337-F339 HydrophobicContact CD2-CZ 3.38Å; L337-F339 HydrophobicContact CG-CE1 4.12Å; L337-F339 HydrophobicContact CG-CE2 4.06Å; L337-F339 HydrophobicContact CG-CZ 3.71Å; L337-V358 HydrophobicContact CB-CB 4.3Å; L337-V358 PolarHBondContact N-O 2.98Å; L337-V358 PolarHBondContact O-N 3.37Å; L337-L361 HydrophobicContact CB-CD2 3.92Å |
| 338 | H | 91.9 | Very high | 84.9 | Confident | 6 Ų | 6 | 61.1 Ų | 61.1 | 3% | 0.028 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 120.5 | -174.5 | 176.6 | -144.5 | 0 | 0 | 0 | 109.6 | I296 Y297 L299 R302 S340 E355 | I296-H338 WeakPolarHBondContact CA-O 3.35Å; Y297-H338 AromaticContact CD2-ND1 3.78Å; Y297-H338 PolarHBondContact N-O 2.88Å; Y297-H338 PolarHBondContact O-N 2.91Å; L299-H338 HydrophobicContact CD1-CB 3.82Å; L299-H338 HydrophobicContact CD2-CB 4.24Å; L299-H338 HydrophobicContact CG-CB 3.88Å; R302-H338 PolarHBondContact NH1-ND1 2.89Å; R302-H338 VanDerWaalsContact NH1-ND1 3.11Å; H338-S340 PolarHBondContact CE1-OG 3.08Å; H338-S340 VanDerWaalsContact CE1-OG 3.32Å; H338-S340 PolarHBondContact NE2-OG 2.8Å; H338-E355 IonicContact CD2-OE2 3.71Å; H338-E355 IonicContact CE1-OE2 2.66Å; H338-E355 IonicContact NE2-OE2 3.43Å; H338-E355 PolarHBondContact NE2-OE2 2.89Å |
| 339 | F | 94.3 | Very high | 83.5 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 129.4 | 174 | -50.4 | -79.2 | 0 | 0 | 0 | 109 | L258 F260 V273 I275 V294 K295 I296 L337 E355 V356 V358 | L258-F339 HydrophobicContact CD2-CB 3.72Å; L258-F339 HydrophobicContact CD2-CD1 4.19Å; L258-F339 HydrophobicContact CD2-CD2 4.02Å; L258-F339 HydrophobicContact CD2-CG 3.72Å; F260-F339 HydrophobicContact CB-CZ 4.44Å; F260-F339 AromaticContact CD1-CE2 3.86Å; F260-F339 HydrophobicContact CD1-CE2 3.86Å; F260-F339 AromaticContact CD1-CZ 3.97Å; F260-F339 HydrophobicContact CD1-CZ 3.97Å; F260-F339 HydrophobicContact CD2-CE2 4.21Å; F260-F339 AromaticContact CD2-CZ 3.82Å; F260-F339 HydrophobicContact CD2-CZ 3.82Å; F260-F339 HydrophobicContact CE1-CD2 4.37Å; F260-F339 AromaticContact CE1-CE2 3.63Å; F260-F339 HydrophobicContact CE1-CE2 3.63Å; F260-F339 HydrophobicContact CE1-CZ 4.15Å; F260-F339 HydrophobicContact CE2-CE2 4Å; F260-F339 HydrophobicContact CE2-CZ 4.01Å; F260-F339 HydrophobicContact CG-CE2 4.15Å; F260-F339 AromaticContact CG-CZ 3.81Å; F260-F339 HydrophobicContact CG-CZ 3.81Å; F260-F339 AromaticContact CZ-CE2 3.71Å; F260-F339 HydrophobicContact CZ-CE2 3.71Å; F260-F339 HydrophobicContact CZ-CZ 4.17Å; V273-F339 HydrophobicContact CG1-CE1 3.82Å; V273-F339 HydrophobicContact CG1-CZ 4.11Å; I275-F339 HydrophobicContact CD1-CD1 3.76Å; I275-F339 HydrophobicContact CD1-CE1 3.42Å; I275-F339 VanDerWaalsContact CD1-CE1 3.42Å; I275-F339 HydrophobicContact CD1-CZ 4.34Å; V294-F339 HydrophobicContact CG1-CB 4.03Å; V294-F339 HydrophobicContact CG1-CD1 4.34Å; K295-F339 WeakPolarHBondContact O-CA 3.5Å; I296-F339 HydrophobicContact CB-CD1 4.44Å; I296-F339 HydrophobicContact CG1-CD1 4.17Å; I296-F339 HydrophobicContact CG2-CD1 3.78Å; I296-F339 HydrophobicContact CG2-CE1 3.75Å; L337-F339 HydrophobicContact CD2-CE1 4.04Å; L337-F339 HydrophobicContact CD2-CE2 4Å; L337-F339 HydrophobicContact CD2-CZ 3.38Å; L337-F339 HydrophobicContact CG-CE1 4.12Å; L337-F339 HydrophobicContact CG-CE2 4.06Å; L337-F339 HydrophobicContact CG-CZ 3.71Å; F339-E355 CarbonylContact O-C 3.57Å; F339-E355 VanDerWaalsContact O-CA 3.26Å; F339-E355 WeakPolarHBondContact O-CA 3.47Å; F339-E355 WeakPolarHBondContact O-CB 3.5Å; F339-V356 HydrophobicContact CB-CB 4.24Å; F339-V356 HydrophobicContact CD2-CB 3.96Å; F339-V356 HydrophobicContact CD2-CG1 4.05Å; F339-V356 PolarHBondContact N-O 2.94Å; F339-V356 PolarHBondContact O-N 3.19Å; F339-V358 HydrophobicContact CD2-CG2 4.21Å; F339-V358 HydrophobicContact CE2-CG2 3.81Å |
| 340 | S | 92.3 | Very high | 83 | Confident | 4 Ų | 4 | 63.7 Ų | 63.7 | 3% | 0.028 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 116.6 | 174.3 | -49.9 | 0 | 0 | 0 | 0 | 108.5 | K295 H338 Y342 | K295-S340 PolarHBondContact N-O 3.41Å; K295-S340 PolarHBondContact O-N 2.86Å; H338-S340 PolarHBondContact CE1-OG 3.08Å; H338-S340 VanDerWaalsContact CE1-OG 3.32Å; H338-S340 PolarHBondContact NE2-OG 2.8Å; S340-Y342 VanDerWaalsContact CB-CE2 3.5Å; S340-Y342 WeakPolarHBondContact O-CD2 3.45Å |
| 341 | V | 94.3 | Very high | 82.5 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 129.4 | -177.9 | -170.8 | 0 | 0 | 0 | 0 | 108.6 | L281 V294 I353 G354 I377 | L281-V341 HydrophobicContact CD1-CG1 4.44Å; L281-V341 HydrophobicContact CD2-CG1 4.38Å; V294-V341 HydrophobicContact CG2-CG2 4.21Å; V341-I353 HydrophobicContact CB-CB 4.32Å; V341-I353 HydrophobicContact CG1-CB 4.13Å; V341-I353 HydrophobicContact CG1-CD1 4.27Å; V341-I353 HydrophobicContact CG1-CG2 4.24Å; V341-I353 PolarHBondContact O-N 2.89Å; V341-G354 PolarHBondContact N-O 2.7Å; V341-G354 PolarHBondContact O-N 2.96Å; V341-I377 HydrophobicContact CG2-CD1 4.12Å; V341-I377 HydrophobicContact CG2-CG1 4.45Å; V341-I377 HydrophobicContact CG2-CG2 4.4Å |
| 342 | Y | 91.5 | Very high | 82.5 | Confident | 33 Ų | 33 | 57.4 Ų | 57.4 | 13% | 0.129 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 151.5 | -176.8 | -72.8 | -88.8 | 0 | 0 | 0 | 110.5 | P292 Y293 K295 S340 D351 M352 | P292-Y342 CarbonylContact C-O 3.48Å; P292-Y342 VanDerWaalsContact CA-O 3.28Å; P292-Y342 WeakPolarHBondContact CA-O 3.35Å; Y293-Y342 HydrophobicContact CE1-CG 4.36Å; Y293-Y342 HydrophobicContact CE2-CD2 4.48Å; Y293-Y342 VanDerWaalsContact CZ-CB 3.44Å; Y293-Y342 AromaticContact CZ-CG 3.98Å; Y293-Y342 PolarHBondContact N-O 3.13Å; Y293-Y342 PolarHBondContact O-N 2.73Å; Y293-Y342 WeakPolarHBondContact OH-CB 3.41Å; K295-Y342 HydrophobicContact CD-CD2 3.89Å; K295-Y342 HydrophobicContact CD-CE2 3.54Å; K295-Y342 HydrophobicContact CG-CD2 4.13Å; K295-Y342 HydrophobicContact CG-CE2 4.14Å; K295-Y342 VanDerWaalsContact NZ-CD2 3.33Å; S340-Y342 VanDerWaalsContact CB-CE2 3.5Å; S340-Y342 WeakPolarHBondContact O-CD2 3.45Å; Y342-D351 CarbonylContact C-O 3.34Å; Y342-D351 VanDerWaalsContact CA-O 3.3Å; Y342-D351 WeakPolarHBondContact CA-O 3.19Å; Y342-M352 HydrophobicContact CD1-CB 3.95Å; Y342-M352 HydrophobicContact CD1-CG 4.18Å; Y342-M352 HydrophobicContact CE1-CB 3.7Å; Y342-M352 HydrophobicContact CE1-CG 3.8Å; Y342-M352 HydrophobicContact CE1-SD 4.04Å |
| 343 | D | 89.4 | Confident | 82.6 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.011 | 29% | 0.287 | C | S | . | . | trans | -81.4 | 154.6 | 157.4 | -158.3 | -8.2 | 0 | 0 | 0 | 110.4 | K284 S290 D291 Y293 H350 D351 I353 | K284-D343 HydrophobicContact CB-CB 4.2Å; K284-D343 VanDerWaalsContact CB-OD2 3.23Å; K284-D343 WeakPolarHBondContact CB-OD2 3.34Å; S290-D343 WeakPolarHBondContact CA-OD2 3.24Å; S290-D343 VanDerWaalsContact CB-OD2 3.26Å; S290-D343 WeakPolarHBondContact CB-OD2 3.47Å; D291-D343 WeakPolarHBondContact CA-OD1 3.19Å; D291-D343 PolarHBondContact N-OD1 2.99Å; Y293-D343 WeakPolarHBondContact CE1-O 3.37Å; D343-H350 VanDerWaalsContact O-CB 3.29Å; D343-H350 WeakPolarHBondContact O-CB 3.47Å; D343-D351 HydrophobicContact CB-CB 4.23Å; D343-D351 PolarHBondContact N-O 3.01Å; D343-I353 HydrophobicContact CB-CD1 4.23Å; D343-I353 HydrophobicContact CB-CG1 4.47Å | ||
| 344 | F | 86.7 | Confident | 83 | Confident | 55 Ų | 55 | 53.9 Ų | 53.9 | 24% | 0.241 | 26% | 0.262 | C | S | . | . | trans | -106.5 | 101.8 | 177.9 | 175.8 | -95.4 | 0 | 0 | 0 | 112.1 | D291 Y293 V310 H350 | D291-F344 HydrophobicContact CB-CB 3.98Å; D291-F344 VanDerWaalsContact O-CB 3.31Å; D291-F344 WeakPolarHBondContact O-CB 3.3Å; D291-F344 PolarHBondContact O-N 3.34Å; Y293-F344 HydrophobicContact CD1-CB 4.02Å; Y293-F344 HydrophobicContact CE1-CB 4.14Å; V310-F344 HydrophobicContact CB-CB 4.36Å; V310-F344 HydrophobicContact CB-CG 4.4Å; V310-F344 HydrophobicContact CG1-CB 3.56Å; V310-F344 HydrophobicContact CG1-CD1 3.91Å; V310-F344 HydrophobicContact CG1-CG 3.79Å; V310-F344 HydrophobicContact CG2-CB 3.81Å; V310-F344 HydrophobicContact CG2-CD1 4.45Å; V310-F344 HydrophobicContact CG2-CD2 3.86Å; V310-F344 HydrophobicContact CG2-CG 3.75Å; F344-H350 AromaticContact CD2-CE1 3.43Å; F344-H350 VanDerWaalsContact CD2-CE1 3.43Å; F344-H350 WeakPolarHBondContact CD2-CE1 3.42Å; F344-H350 AromaticContact CD2-NE2 3.52Å; F344-H350 AromaticContact CE2-CE1 3.56Å; F344-H350 AromaticContact CE2-NE2 3.42Å; F344-H350 WeakPolarHBondContact CE2-NE2 3.45Å | ||
| 345 | D | 77.9 | Confident | 83.5 | Confident | 41 Ų | 41 | 49.4 Ų | 49.4 | 22% | 0.219 | 24% | 0.237 | C | C | . | . | trans | -82.1 | 133.2 | 170.6 | -76 | -94.3 | 0 | 0 | 0 | 113 | T348 H350 D351 | D345-T348 VanDerWaalsContact CB-O 3.27Å; D345-T348 WeakPolarHBondContact CB-O 3.44Å; D345-T348 WeakPolarHBondContact CB-OG1 3.05Å; D345-T348 WeakPolarHBondContact OD1-CB 3.39Å; D345-T348 PolarHBondContact OD1-OG1 3.08Å; D345-H350 PolarHBondContact O-CD2 3.12Å; D345-H350 PolarHBondContact O-NE2 3.18Å; D345-D351 PolarHBondContact OD2-N 2.93Å | ||
| 346 | R | 74.9 | Confident | 83.9 | Confident | 199 Ų | 199 | 47.8 Ų | 47.8 | 75% | 0.751 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -81.1 | -27.8 | 174.2 | -177.4 | 173.8 | 177.2 | -166.9 | -1.7 | 113.8 | ||
| 347 | F | 55.7 | Low | 84 | Confident | 174 Ų | 174 | 46.6 Ų | 46.6 | 76% | 0.763 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -129.7 | 2.6 | -168.4 | -58 | -66.7 | 0 | 0 | 0 | 113.6 | ||
| 348 | T | 62.1 | Low | 83.9 | Confident | 91 Ų | 91 | 46.6 Ų | 46.6 | 56% | 0.558 | 23% | 0.231 | S | C | * | . | S | Bend | trans | -139.4 | 169.8 | -169.2 | 13.7 | 0 | 0 | 0 | 0 | 108.9 | D345 | D345-T348 VanDerWaalsContact CB-O 3.27Å; D345-T348 WeakPolarHBondContact CB-O 3.44Å; D345-T348 WeakPolarHBondContact CB-OG1 3.05Å; D345-T348 WeakPolarHBondContact OD1-CB 3.39Å; D345-T348 PolarHBondContact OD1-OG1 3.08Å |
| 349 | S | 61.6 | Low | 83.7 | Confident | 101 Ų | 101 | 49.4 Ų | 49.4 | 71% | 0.706 | 25% | 0.246 | S | C | * | . | trans | -67.6 | 130.4 | 170.6 | 48.4 | 0 | 0 | 0 | 0 | 110.3 | D351 | S349-D351 PolarHBondContact O-N 3Å; S349-D351 VanDerWaalsContact O-N 3.15Å | ||
| 350 | H | 78.4 | Confident | 83 | Confident | 74 Ų | 74 | 53.8 Ų | 53.8 | 34% | 0.343 | 27% | 0.269 | S | S | . | . | trans | -56 | 113.2 | 179.3 | -63.4 | -176.6 | 0 | 0 | 0 | 111.9 | Y293 D343 F344 D345 | Y293-H350 HydrophobicContact CE1-CB 4.48Å; Y293-H350 AromaticContact CE1-ND1 3.74Å; Y293-H350 AromaticContact CZ-ND1 3.54Å; Y293-H350 PolarHBondContact OH-ND1 3.11Å; D343-H350 VanDerWaalsContact O-CB 3.29Å; D343-H350 WeakPolarHBondContact O-CB 3.47Å; F344-H350 AromaticContact CD2-CE1 3.43Å; F344-H350 VanDerWaalsContact CD2-CE1 3.43Å; F344-H350 WeakPolarHBondContact CD2-CE1 3.42Å; F344-H350 AromaticContact CD2-NE2 3.52Å; F344-H350 AromaticContact CE2-CE1 3.56Å; F344-H350 AromaticContact CE2-NE2 3.42Å; F344-H350 WeakPolarHBondContact CE2-NE2 3.45Å; D345-H350 PolarHBondContact O-CD2 3.12Å; D345-H350 PolarHBondContact O-NE2 3.18Å | ||
| 351 | D | 79.1 | Confident | 82.6 | Confident | 66 Ų | 66 | 53.6 Ų | 53.6 | 35% | 0.353 | 27% | 0.268 | S | S | . | . | trans | -66.5 | 135.6 | -174.8 | -131.9 | 40.6 | 0 | 0 | 0 | 112.5 | K284 Y342 D343 D345 S349 | K284-D351 WeakPolarHBondContact CD-OD2 3.27Å; K284-D351 WeakPolarHBondContact CE-OD2 3.12Å; K284-D351 IonicContact NZ-OD2 2.92Å; K284-D351 PolarHBondContact NZ-OD2 2.97Å; Y342-D351 CarbonylContact C-O 3.34Å; Y342-D351 VanDerWaalsContact CA-O 3.3Å; Y342-D351 WeakPolarHBondContact CA-O 3.19Å; D343-D351 HydrophobicContact CB-CB 4.23Å; D343-D351 PolarHBondContact N-O 3.01Å; D345-D351 PolarHBondContact OD2-N 2.93Å; S349-D351 PolarHBondContact O-N 3Å; S349-D351 VanDerWaalsContact O-N 3.15Å | ||
| 352 | M | 85.1 | Confident | 82.1 | Confident | 27 Ų | 27 | 57.3 Ų | 57.3 | 13% | 0.133 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 126.9 | 175.6 | -165 | 162.3 | 165.2 | 0 | 0 | 110 | K284 Y342 E355 A380 | K284-M352 PolarHBondContact NZ-O 2.84Å; Y342-M352 HydrophobicContact CD1-CB 3.95Å; Y342-M352 HydrophobicContact CD1-CG 4.18Å; Y342-M352 HydrophobicContact CE1-CB 3.7Å; Y342-M352 HydrophobicContact CE1-CG 3.8Å; Y342-M352 HydrophobicContact CE1-SD 4.04Å; M352-E355 HydrophobicContact CE-CB 3.91Å; M352-E355 HydrophobicContact CE-CG 4.39Å; M352-A380 HydrophobicContact CB-CB 4.28Å; M352-A380 HydrophobicContact CE-CB 3.84Å; M352-A380 HydrophobicContact CG-CB 3.8Å; M352-A380 HydrophobicContact SD-CB 3.83Å |
| 353 | I | 90.3 | Very high | 81.6 | Confident | 4 Ų | 4 | 63.3 Ų | 63.3 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -43.1 | 175.8 | -70.6 | 172.1 | 0 | 0 | 0 | 109.7 | C255 L281 P282 K284 P292 V341 D343 | C255-I353 HydrophobicContact CB-CG2 4.04Å; C255-I353 WeakPolarHBondContact CB-O 3.4Å; C255-I353 PolarHBondContact SG-O 3.38Å; L281-I353 HydrophobicContact CD1-CD1 4.47Å; L281-I353 HydrophobicContact CD2-CG2 4.24Å; P282-I353 HydrophobicContact CG-CG2 3.8Å; K284-I353 HydrophobicContact CG-CG1 4.15Å; P292-I353 HydrophobicContact CB-CD1 4.35Å; V341-I353 HydrophobicContact CB-CB 4.32Å; V341-I353 HydrophobicContact CG1-CB 4.13Å; V341-I353 HydrophobicContact CG1-CD1 4.27Å; V341-I353 HydrophobicContact CG1-CG2 4.24Å; V341-I353 PolarHBondContact O-N 2.89Å; D343-I353 HydrophobicContact CB-CD1 4.23Å; D343-I353 HydrophobicContact CB-CG1 4.47Å |
| 354 | G | 91.3 | Very high | 81 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 164.5 | -170.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V341 H378 | V341-G354 PolarHBondContact N-O 2.7Å; V341-G354 PolarHBondContact O-N 2.96Å; G354-H378 CarbonylContact C-O 3.53Å; G354-H378 WeakPolarHBondContact CA-O 3.43Å |
| 355 | E | 91.9 | Very high | 80.6 | Confident | 38 Ų | 38 | 63.1 Ų | 63.1 | 18% | 0.178 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 162 | -178.8 | 61.7 | 171.5 | -159.4 | 0 | 0 | 114.4 | H338 F339 M352 H378 S384 | H338-E355 IonicContact CD2-OE2 3.71Å; H338-E355 IonicContact CE1-OE2 2.66Å; H338-E355 IonicContact NE2-OE2 3.43Å; H338-E355 PolarHBondContact NE2-OE2 2.89Å; F339-E355 CarbonylContact O-C 3.57Å; F339-E355 VanDerWaalsContact O-CA 3.26Å; F339-E355 WeakPolarHBondContact O-CA 3.47Å; F339-E355 WeakPolarHBondContact O-CB 3.5Å; M352-E355 HydrophobicContact CE-CB 3.91Å; M352-E355 HydrophobicContact CE-CG 4.39Å; E355-H378 PolarHBondContact N-O 2.93Å; E355-H378 PolarHBondContact O-N 3.09Å; E355-S384 WeakPolarHBondContact OE2-CB 3.43Å |
| 356 | V | 92.9 | Very high | 80.7 | Confident | 2 Ų | 2 | 65.4 Ų | 65.4 | 1% | 0.012 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 115.4 | 169.6 | 179.5 | 0 | 0 | 0 | 0 | 107.6 | L258 F339 V358 K375 I377 | L258-V356 HydrophobicContact CB-CG2 4.21Å; L258-V356 HydrophobicContact CD2-CG2 4.33Å; F339-V356 HydrophobicContact CB-CB 4.24Å; F339-V356 HydrophobicContact CD2-CB 3.96Å; F339-V356 HydrophobicContact CD2-CG1 4.05Å; F339-V356 PolarHBondContact N-O 2.94Å; F339-V356 PolarHBondContact O-N 3.19Å; V356-V358 HydrophobicContact CG1-CG2 3.85Å; V356-K375 HydrophobicContact CG1-CB 3.5Å; V356-K375 HydrophobicContact CG1-CG 3.85Å; V356-K375 HydrophobicContact CG2-CB 4.33Å; V356-I377 HydrophobicContact CG2-CB 4.42Å; V356-I377 HydrophobicContact CG2-CG1 3.93Å |
| 357 | V | 90.7 | Very high | 81.1 | Confident | 61 Ų | 61 | 56.1 Ų | 56.1 | 37% | 0.37 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 133.5 | 169.7 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | K336 | K336-V357 HydrophobicContact CD-CG1 4.11Å |
| 358 | V | 90 | Very high | 82.3 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 103.2 | -179.5 | -170.7 | 0 | 0 | 0 | 0 | 108.9 | F260 K336 L337 F339 V356 L361 L364 | F260-V358 HydrophobicContact CZ-CG2 3.98Å; K336-V358 CarbonylContact C-O 3.45Å; K336-V358 WeakPolarHBondContact CA-O 3.39Å; L337-V358 HydrophobicContact CB-CB 4.3Å; L337-V358 PolarHBondContact N-O 2.98Å; L337-V358 PolarHBondContact O-N 3.37Å; F339-V358 HydrophobicContact CD2-CG2 4.21Å; F339-V358 HydrophobicContact CE2-CG2 3.81Å; V356-V358 HydrophobicContact CG1-CG2 3.85Å; V358-L361 HydrophobicContact CB-CD2 4.37Å; V358-L361 HydrophobicContact CG1-CD2 3.81Å; V358-L364 HydrophobicContact CG1-CD1 3.58Å; V358-L364 HydrophobicContact CG1-CD2 3.68Å; V358-L364 HydrophobicContact CG1-CG 4.14Å |
| 359 | D | 86.4 | Confident | 83.3 | Confident | 65 Ų | 65 | 55.3 Ų | 55.3 | 35% | 0.348 | 29% | 0.285 | S | S | . | . | trans | -89 | 179.4 | 162.8 | 34 | 24.7 | 0 | 0 | 0 | 111.9 | K336 L361 | K336-D359 HydrophobicContact CD-CB 3.8Å; K336-D359 HydrophobicContact CG-CB 3.98Å; K336-D359 IonicContact NZ-OD2 2.73Å; K336-D359 PolarHBondContact NZ-OD2 2.87Å; D359-L361 VanDerWaalsContact C-N 3.34Å; D359-L361 PolarHBondContact O-N 3.38Å | ||
| 360 | N | 81.5 | Confident | 84.2 | Confident | 92 Ų | 92 | 55.3 Ų | 55.3 | 49% | 0.492 | 27% | 0.274 | S | S | . | . | trans | 45.2 | 53.1 | 175.8 | -62.8 | 3.2 | 0 | 0 | 0 | 113.2 | F362 E363 L364 | N360-F362 PolarHBondContact O-N 2.97Å; N360-E363 HydrophobicContact CB-CB 3.92Å; N360-E363 WeakPolarHBondContact CB-OE2 3.4Å; N360-E363 PolarHBondContact ND2-OE2 3.28Å; N360-E363 WeakPolarHBondContact O-CB 3.27Å; N360-E363 PolarHBondContact O-N 3.05Å; N360-L364 PolarHBondContact O-N 3.14Å | ||
| 361 | L | 83.8 | Confident | 84.4 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -50.6 | -32.7 | -172.6 | -60.8 | 174 | 0 | 0 | 0 | 113.7 | L262 L271 L332 L337 V358 D359 L364 S365 L367 | L262-L361 HydrophobicContact CD1-CD2 4.15Å; L271-L361 HydrophobicContact CD2-CD1 3.99Å; L332-L361 HydrophobicContact CD2-CD1 4.16Å; L337-L361 HydrophobicContact CB-CD2 3.92Å; V358-L361 HydrophobicContact CB-CD2 4.37Å; V358-L361 HydrophobicContact CG1-CD2 3.81Å; D359-L361 VanDerWaalsContact C-N 3.34Å; D359-L361 PolarHBondContact O-N 3.38Å; L361-L364 PolarHBondContact O-N 3.1Å; L361-S365 PolarHBondContact O-N 2.87Å; L361-S365 VanDerWaalsContact O-N 3.1Å; L361-L367 HydrophobicContact CB-CD1 4.39Å |
| 362 | F | 83.3 | Confident | 85 | Confident | 78 Ų | 78 | 54.6 Ų | 54.6 | 34% | 0.342 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -71.8 | -29.2 | 175.9 | -59 | -68 | 0 | 0 | 0 | 115.7 | Y329 L332 C333 N360 L364 L367 | Y329-F362 HydrophobicContact CD2-CE1 4.39Å; Y329-F362 HydrophobicContact CE1-CE1 4.05Å; Y329-F362 HydrophobicContact CE1-CZ 4.22Å; Y329-F362 AromaticContact CE2-CE1 3.68Å; Y329-F362 HydrophobicContact CE2-CE1 3.68Å; Y329-F362 HydrophobicContact CE2-CZ 4.33Å; Y329-F362 AromaticContact CZ-CE1 3.48Å; Y329-F362 VanDerWaalsContact CZ-CE1 3.48Å; Y329-F362 WeakPolarHBondContact OH-CE1 3.22Å; L332-F362 HydrophobicContact CB-CE2 3.91Å; L332-F362 HydrophobicContact CB-CZ 3.72Å; L332-F362 HydrophobicContact CD1-CE1 4.44Å; L332-F362 HydrophobicContact CD1-CZ 4.16Å; C333-F362 HydrophobicContact CB-CE2 4.01Å; N360-F362 PolarHBondContact O-N 2.97Å; F362-L364 VanDerWaalsContact C-N 3.33Å; F362-L367 HydrophobicContact CD1-CD1 3.81Å; F362-L367 HydrophobicContact CD1-CG 4.37Å; F362-L367 HydrophobicContact CE1-CD1 3.74Å |
| 363 | E | 79.7 | Confident | 85.4 | Confident | 159 Ų | 159 | 54.1 Ų | 54.1 | 74% | 0.743 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -77.3 | -28 | 174.6 | -176.2 | 176.9 | -171.2 | 0 | 0 | 110.7 | N360 | N360-E363 HydrophobicContact CB-CB 3.92Å; N360-E363 WeakPolarHBondContact CB-OE2 3.4Å; N360-E363 PolarHBondContact ND2-OE2 3.28Å; N360-E363 WeakPolarHBondContact O-CB 3.27Å; N360-E363 PolarHBondContact O-N 3.05Å |
| 364 | L | 76.9 | Confident | 85.6 | Confident | 45 Ų | 45 | 59.1 Ų | 59.1 | 24% | 0.236 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -97.4 | -22.4 | -166.1 | -150.5 | 140.1 | 0 | 0 | 0 | 113.2 | V358 N360 L361 F362 V373 | V358-L364 HydrophobicContact CG1-CD1 3.58Å; V358-L364 HydrophobicContact CG1-CD2 3.68Å; V358-L364 HydrophobicContact CG1-CG 4.14Å; N360-L364 PolarHBondContact O-N 3.14Å; L361-L364 PolarHBondContact O-N 3.1Å; F362-L364 VanDerWaalsContact C-N 3.33Å; L364-V373 HydrophobicContact CD2-CG1 3.66Å; L364-V373 HydrophobicContact CD2-CG2 4.22Å |
| 365 | S | 78.1 | Confident | 85.8 | Confident | 8 Ų | 8 | 62.6 Ų | 62.6 | 6% | 0.056 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -153.6 | 139.3 | 171.6 | -169.5 | 0 | 0 | 0 | 0 | 110.7 | L361 L367 | L361-S365 PolarHBondContact O-N 2.87Å; L361-S365 VanDerWaalsContact O-N 3.1Å; S365-L367 PolarHBondContact O-N 2.93Å |
| 366 | D | 80.7 | Confident | 85.9 | Confident | 88 Ų | 88 | 63.5 Ų | 63.5 | 47% | 0.471 | 32% | 0.32 | S | S | . | . | trans | -68.1 | 95.7 | 165.2 | 171.9 | 8.2 | 0 | 0 | 0 | 108.6 | S368 R369 | D366-S368 VanDerWaalsContact CG-OG 3.3Å; D366-S368 PolarHBondContact O-N 3.41Å; D366-S368 WeakPolarHBondContact OD1-CB 3.26Å; D366-S368 PolarHBondContact OD1-N 3.13Å; D366-S368 PolarHBondContact OD1-OG 3.2Å; D366-S368 PolarHBondContact OD2-OG 2.67Å; D366-R369 PolarHBondContact O-N 2.84Å | ||
| 367 | L | 83.4 | Confident | 86 | Confident | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.026 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -5.3 | -175.6 | -59.1 | -176.3 | 0 | 0 | 0 | 114 | L262 Y264 L271 L332 L361 F362 S365 R369 | L262-L367 HydrophobicContact CB-CD2 3.7Å; L262-L367 HydrophobicContact CD1-CD2 4.26Å; Y264-L367 PolarHBondContact N-O 3.42Å; L271-L367 HydrophobicContact CD1-CD1 4.41Å; L271-L367 HydrophobicContact CD1-CD2 4.26Å; L332-L367 HydrophobicContact CD1-CD1 3.92Å; L361-L367 HydrophobicContact CB-CD1 4.39Å; F362-L367 HydrophobicContact CD1-CD1 3.81Å; F362-L367 HydrophobicContact CD1-CG 4.37Å; F362-L367 HydrophobicContact CE1-CD1 3.74Å; S365-L367 PolarHBondContact O-N 2.93Å; L367-R369 VanDerWaalsContact C-N 3.32Å |
| 368 | S | 81.1 | Confident | 86 | Confident | 69 Ų | 69 | 64.5 Ų | 64.5 | 48% | 0.483 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -10.4 | 170.9 | 76.1 | 0 | 0 | 0 | 0 | 113.7 | D366 | D366-S368 VanDerWaalsContact CG-OG 3.3Å; D366-S368 PolarHBondContact O-N 3.41Å; D366-S368 WeakPolarHBondContact OD1-CB 3.26Å; D366-S368 PolarHBondContact OD1-N 3.13Å; D366-S368 PolarHBondContact OD1-OG 3.2Å; D366-S368 PolarHBondContact OD2-OG 2.67Å |
| 369 | R | 82.6 | Confident | 85.7 | Confident | 179 Ų | 179 | 65.5 Ų | 65.5 | 68% | 0.675 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -141.9 | 139.9 | -176.2 | -57 | -177.4 | 68.5 | -177.9 | -0.3 | 111.1 | D366 L367 A371 | D366-R369 PolarHBondContact O-N 2.84Å; L367-R369 VanDerWaalsContact C-N 3.32Å; R369-A371 PolarHBondContact O-N 3.44Å |
| 370 | E | 81.3 | Confident | 84.6 | Confident | 100 Ų | 100 | 64.2 Ų | 64.2 | 47% | 0.467 | 33% | 0.327 | S | S | . | . | trans | -66.3 | 105 | 175.4 | -169 | -173.8 | -177.2 | 0 | 0 | 110.1 | S261 R274 | S261-E370 WeakPolarHBondContact CB-OE1 3.38Å; S261-E370 PolarHBondContact OG-OE1 3.06Å; R274-E370 WeakPolarHBondContact CD-OE1 3.37Å; R274-E370 IonicContact CZ-OE1 3.55Å; R274-E370 IonicContact NE-OE1 3.16Å; R274-E370 IonicContact NH1-OE1 2.67Å; R274-E370 PolarHBondContact NH1-OE1 2.94Å; R274-E370 IonicContact NH1-OE2 3.97Å | ||
| 371 | A | 82.4 | Confident | 83.3 | Confident | 38 Ų | 38 | 63.8 Ų | 63.8 | 31% | 0.314 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 137.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.4 | S261 R369 | S261-A371 VanDerWaalsContact CA-O 3.27Å; S261-A371 WeakPolarHBondContact CA-O 3.45Å; S261-A371 WeakPolarHBondContact CB-O 3.48Å; R369-A371 PolarHBondContact O-N 3.44Å |
| 372 | V | 91.6 | Very high | 81.7 | Confident | 88 Ų | 88 | 66.7 Ų | 66.7 | 53% | 0.533 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 114.3 | 179.1 | 178.4 | 0 | 0 | 0 | 0 | 109.8 | S259 L276 | S259-V372 WeakPolarHBondContact OG-CG1 3.44Å; L276-V372 HydrophobicContact CD1-CB 4.34Å; L276-V372 HydrophobicContact CD1-CG1 3.75Å; L276-V372 HydrophobicContact CD1-CG2 3.83Å |
| 373 | V | 93.2 | Very high | 79.9 | Confident | 17 Ų | 17 | 71.2 Ų | 71.2 | 10% | 0.103 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 148.1 | 175.4 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | S259 F260 L364 K375 | S259-V373 WeakPolarHBondContact CA-O 3.41Å; S259-V373 PolarHBondContact OG-O 3.31Å; F260-V373 HydrophobicContact CD2-CB 4.19Å; F260-V373 HydrophobicContact CE1-CB 4.29Å; F260-V373 HydrophobicContact CE1-CG1 3.95Å; F260-V373 HydrophobicContact CE2-CB 3.77Å; F260-V373 HydrophobicContact CE2-CG1 3.9Å; F260-V373 HydrophobicContact CE2-CG2 4.14Å; F260-V373 HydrophobicContact CZ-CB 3.83Å; F260-V373 HydrophobicContact CZ-CG1 3.46Å; F260-V373 VanDerWaalsContact CZ-CG1 3.46Å; F260-V373 PolarHBondContact N-O 3.04Å; F260-V373 PolarHBondContact O-N 2.98Å; L364-V373 HydrophobicContact CD2-CG1 3.66Å; L364-V373 HydrophobicContact CD2-CG2 4.22Å; V373-K375 HydrophobicContact CG1-CG 4.21Å |
| 374 | W | 94.9 | Very high | 78.6 | Confident | 108 Ų | 108 | 64.5 Ų | 64.5 | 41% | 0.409 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 137.3 | 164.6 | -74.6 | 86.4 | 0 | 0 | 0 | 109.5 | K257 L258 K277 L279 | K257-W374 HydrophobicContact CB-CE3 4.01Å; K257-W374 HydrophobicContact CB-CZ3 4.2Å; L258-W374 WeakPolarHBondContact O-CA 3.43Å; K277-W374 HydrophobicContact CD-CH2 4.28Å; K277-W374 HydrophobicContact CG-CH2 4.16Å; L279-W374 HydrophobicContact CB-CZ3 4.44Å; L279-W374 HydrophobicContact CD1-CH2 3.41Å; L279-W374 VanDerWaalsContact CD1-CH2 3.41Å; L279-W374 HydrophobicContact CD1-CZ2 4.47Å; L279-W374 HydrophobicContact CD1-CZ3 3.63Å; L279-W374 HydrophobicContact CG-CH2 3.77Å; L279-W374 HydrophobicContact CG-CZ3 3.84Å |
| 375 | K | 94.9 | Very high | 77.8 | Confident | 74 Ų | 74 | 65 Ų | 65 | 32% | 0.322 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 147.4 | 172.6 | -76.8 | -69.1 | -173.5 | 170 | 0 | 110.3 | K257 L258 F260 V356 V373 | K257-K375 CarbonylContact C-O 3.59Å; K257-K375 WeakPolarHBondContact CA-O 3.47Å; L258-K375 PolarHBondContact N-O 3.15Å; L258-K375 PolarHBondContact O-N 2.87Å; F260-K375 HydrophobicContact CE1-CB 4.33Å; F260-K375 HydrophobicContact CE1-CG 4.11Å; F260-K375 HydrophobicContact CZ-CG 4.28Å; V356-K375 HydrophobicContact CG1-CB 3.5Å; V356-K375 HydrophobicContact CG1-CG 3.85Å; V356-K375 HydrophobicContact CG2-CB 4.33Å; V373-K375 HydrophobicContact CG1-CG 4.21Å |
| 376 | D | 95.4 | Very high | 77.3 | Confident | 57 Ų | 57 | 67 Ų | 67 | 31% | 0.305 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 136.2 | 173.6 | -64.9 | -15.4 | 0 | 0 | 0 | 109 | I254 K257 | I254-D376 HydrophobicContact CG2-CB 4.01Å; K257-D376 WeakPolarHBondContact CG-OD1 3.31Å; K257-D376 IonicContact NZ-OD1 3.62Å; K257-D376 PolarHBondContact NZ-OD1 2.9Å; K257-D376 IonicContact NZ-OD2 2.73Å |
| 377 | I | 94.7 | Very high | 77.5 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 114.8 | 176.7 | -61.6 | 165.1 | 0 | 0 | 0 | 106.4 | I254 C255 G256 L258 A278 L281 V341 V356 | I254-I377 CarbonylContact C-O 3.56Å; I254-I377 WeakPolarHBondContact CA-O 3.49Å; C255-I377 HydrophobicContact CB-CG2 4.19Å; C255-I377 PolarHBondContact N-O 2.74Å; G256-I377 PolarHBondContact O-N 2.73Å; L258-I377 HydrophobicContact CB-CD1 4.13Å; L258-I377 HydrophobicContact CB-CG1 3.95Å; A278-I377 HydrophobicContact CB-CD1 4.45Å; L281-I377 HydrophobicContact CD2-CD1 3.38Å; V341-I377 HydrophobicContact CG2-CD1 4.12Å; V341-I377 HydrophobicContact CG2-CG1 4.45Å; V341-I377 HydrophobicContact CG2-CG2 4.4Å; V356-I377 HydrophobicContact CG2-CB 4.42Å; V356-I377 HydrophobicContact CG2-CG1 3.93Å |
| 378 | H | 90.6 | Very high | 77.8 | Confident | 84 Ų | 84 | 62.7 Ų | 62.7 | 39% | 0.389 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 136.1 | 176.3 | -64.7 | -67 | 0 | 0 | 0 | 109.4 | V252 G354 E355 | V252-H378 HydrophobicContact CG1-CB 3.73Å; V252-H378 WeakPolarHBondContact CG1-ND1 3.24Å; G354-H378 CarbonylContact C-O 3.53Å; G354-H378 WeakPolarHBondContact CA-O 3.43Å; E355-H378 PolarHBondContact N-O 2.93Å; E355-H378 PolarHBondContact O-N 3.09Å |
| 379 | A | 82.6 | Confident | 78.2 | Confident | 21 Ų | 21 | 61.5 Ų | 61.5 | 17% | 0.174 | 31% | 0.314 | C | S | . | . | trans | -53.7 | 140.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | E253 C255 T381 | E253-A379 HydrophobicContact CB-CB 3.79Å; E253-A379 HydrophobicContact CG-CB 4.37Å; E253-A379 VanDerWaalsContact O-CB 3.32Å; E253-A379 WeakPolarHBondContact O-CB 3.36Å; E253-A379 PolarHBondContact O-N 3.28Å; C255-A379 VanDerWaalsContact SG-CB 3.58Å; A379-T381 PolarHBondContact O-N 2.95Å | ||
| 380 | A | 63.2 | Low | 78.8 | Confident | 38 Ų | 38 | 53 Ų | 53 | 31% | 0.314 | 28% | 0.282 | S | S | . | . | trans | -69 | 93.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | M352 | M352-A380 HydrophobicContact CB-CB 4.28Å; M352-A380 HydrophobicContact CE-CB 3.84Å; M352-A380 HydrophobicContact CG-CB 3.8Å; M352-A380 HydrophobicContact SD-CB 3.83Å | ||
| 381 | T | 54.4 | Low | 79.6 | Confident | 83 Ų | 83 | 49.6 Ų | 49.6 | 51% | 0.509 | 27% | 0.267 | S | S | . | . | trans | -54.8 | 141.7 | 159.1 | -12.6 | 0 | 0 | 0 | 0 | 108 | A379 E383 S384 | A379-T381 PolarHBondContact O-N 2.95Å; T381-E383 PolarHBondContact O-N 3.04Å; T381-S384 WeakPolarHBondContact O-CB 3.44Å; T381-S384 PolarHBondContact O-N 2.95Å; T381-S384 PolarHBondContact O-OG 3.26Å | ||
| 382 | T | 50.4 | Low | 80.3 | Confident | 61 Ų | 61 | 47.8 Ų | 47.8 | 37% | 0.374 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -8.4 | -177.3 | -39 | 0 | 0 | 0 | 0 | 114 | E523 | T382-E523 HydrophobicContact CG2-CB 4.02Å; T382-E523 HydrophobicContact CG2-CG 4.16Å; T382-E523 WeakPolarHBondContact CG2-OE2 3.45Å |
| 383 | E | 46.8 | Very low | 80.7 | Confident | 174 Ų | 174 | 44 Ų | 44 | 81% | 0.813 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.6 | -12.7 | 173.8 | -52.1 | -176.9 | 157 | 0 | 0 | 114 | T381 | T381-E383 PolarHBondContact O-N 3.04Š|
| 384 | S | 51.3 | Low | 80.9 | Confident | 18 Ų | 18 | 43.2 Ų | 43.2 | 13% | 0.126 | 22% | 0.224 | C | C | . | . | trans | -84.1 | -17.3 | -171.4 | 56.6 | 0 | 0 | 0 | 0 | 115.4 | E355 T381 D386 | E355-S384 WeakPolarHBondContact OE2-CB 3.43Å; T381-S384 WeakPolarHBondContact O-CB 3.44Å; T381-S384 PolarHBondContact O-N 2.95Å; T381-S384 PolarHBondContact O-OG 3.26Å; S384-D386 PolarHBondContact O-N 2.89Å | ||
| 385 | I | 59.8 | Low | 81.1 | Confident | 54 Ų | 54 | 39.3 Ų | 39.3 | 28% | 0.277 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -79.5 | 111.5 | 175.9 | -59.6 | 175.8 | 0 | 0 | 0 | 108 | L387 E523 | I385-L387 HydrophobicContact CG2-CD2 3.62Å; I385-L387 HydrophobicContact CG2-CG 4.24Å; I385-L387 PolarHBondContact O-N 3.21Å; I385-E523 WeakPolarHBondContact CD1-OE1 3.44Å |
| 386 | D | 68.5 | Low | 81.2 | Confident | 50 Ų | 50 | 36.1 Ų | 36.1 | 27% | 0.267 | 20% | 0.199 | S | C | . | . | trans | -73 | 91.2 | 177.3 | -169 | 14.9 | 0 | 0 | 0 | 111.3 | R302 S384 G388 | R302-D386 WeakPolarHBondContact CD-OD2 3.43Å; R302-D386 IonicContact CZ-OD2 3.01Å; R302-D386 IonicContact NE-OD2 2.92Å; R302-D386 PolarHBondContact NE-OD2 2.95Å; R302-D386 IonicContact NH2-OD2 2.87Å; R302-D386 PolarHBondContact NH2-OD2 3.48Å; S384-D386 PolarHBondContact O-N 2.89Å; D386-G388 VanDerWaalsContact OD1-CA 3.3Å; D386-G388 WeakPolarHBondContact OD1-CA 3.5Å; D386-G388 PolarHBondContact OD1-N 2.83Å | ||
| 387 | L | 85.3 | Confident | 81.3 | Confident | 3 Ų | 3 | 36.3 Ų | 36.3 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | trans | -77.9 | -6.3 | 170.3 | -55.3 | 178.4 | 0 | 0 | 0 | 112.1 | I385 L413 K414 I487 L521 G522 E523 | I385-L387 HydrophobicContact CG2-CD2 3.62Å; I385-L387 HydrophobicContact CG2-CG 4.24Å; I385-L387 PolarHBondContact O-N 3.21Å; L387-L413 WeakPolarHBondContact O-CA 3.43Å; L387-K414 HydrophobicContact CD2-CB 4.38Å; L387-K414 HydrophobicContact CD2-CD 3.58Å; L387-K414 PolarHBondContact O-N 2.81Å; L387-I487 WeakPolarHBondContact CB-O 3.48Å; L387-I487 WeakPolarHBondContact CD1-O 3.45Å; L387-I487 WeakPolarHBondContact CD2-O 3.47Å; L387-L521 HydrophobicContact CB-CB 3.86Å; L387-G522 WeakPolarHBondContact CD1-O 3.4Å; L387-E523 HydrophobicContact CD1-CG 3.88Å | ||
| 388 | G | 88.1 | Confident | 81.3 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | 99.4 | -175.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D386 R411 N412 L521 | D386-G388 VanDerWaalsContact OD1-CA 3.3Å; D386-G388 WeakPolarHBondContact OD1-CA 3.5Å; D386-G388 PolarHBondContact OD1-N 2.83Å; G388-R411 WeakPolarHBondContact CA-O 3.32Å; G388-N412 WeakPolarHBondContact CA-O 3.12Å; G388-L521 WeakPolarHBondContact O-CB 3.18Å; G388-L521 WeakPolarHBondContact O-CG 3.28Å; G388-L521 PolarHBondContact O-N 3.19Å | ||
| 389 | E | 89.3 | Confident | 81.5 | Confident | 44 Ų | 44 | 41 Ų | 41 | 21% | 0.206 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 144.1 | -178.5 | -63.3 | 166.8 | 84.9 | 0 | 0 | 111.4 | C410 R411 W518 H519 | E389-C410 CarbonylContact O-C 3.55Å; E389-C410 WeakPolarHBondContact O-CA 3.48Å; E389-C410 VanDerWaalsContact O-CB 3.3Å; E389-C410 WeakPolarHBondContact O-CB 3.41Å; E389-R411 HydrophobicContact CB-CG 4.19Å; E389-R411 PolarHBondContact N-O 2.77Å; E389-R411 PolarHBondContact O-N 3.15Å; E389-R411 IonicContact OE1-CZ 3.42Å; E389-R411 IonicContact OE1-NE 3.19Å; E389-R411 IonicContact OE1-NH2 2.67Å; E389-R411 PolarHBondContact OE1-NH2 3.16Å; E389-R411 IonicContact OE2-CZ 3.82Å; E389-R411 IonicContact OE2-NE 3.52Å; E389-R411 PolarHBondContact OE2-NE 3.01Å; E389-R411 IonicContact OE2-NH2 3.49Å; E389-R411 PolarHBondContact OE2-NH2 2.87Å; E389-W518 HydrophobicContact CB-CE3 3.78Å; E389-W518 HydrophobicContact CB-CZ3 4.16Å; E389-H519 CarbonylContact C-O 3.56Å; E389-H519 VanDerWaalsContact CA-O 3.32Å; E389-H519 WeakPolarHBondContact CA-O 3.34Å |
| 390 | I | 96.6 | Very high | 82 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 133.4 | 174.4 | -175 | 169.5 | 0 | 0 | 0 | 110.9 | Y392 V407 V426 I473 V475 C490 H519 L521 | I390-Y392 HydrophobicContact CG1-CD1 4.31Å; I390-Y392 HydrophobicContact CG2-CD1 4.17Å; I390-Y392 HydrophobicContact CG2-CE1 4.32Å; I390-V407 HydrophobicContact CD1-CG1 4.32Å; I390-V426 HydrophobicContact CD1-CG1 3.98Å; I390-V426 HydrophobicContact CD1-CG2 3.83Å; I390-I473 HydrophobicContact CD1-CG2 3.92Å; I390-V475 HydrophobicContact CD1-CG2 4.13Å; I390-C490 VanDerWaalsContact CG2-SG 3.6Å; I390-H519 HydrophobicContact CG2-CB 4.18Å; I390-H519 PolarHBondContact N-O 3.28Å; I390-H519 PolarHBondContact O-N 2.79Å; I390-L521 HydrophobicContact CB-CD2 4.3Å; I390-L521 HydrophobicContact CG2-CD2 3.71Å; I390-L521 HydrophobicContact CG2-CG 4.46Å |
| 391 | M | 97.3 | Very high | 83.6 | Confident | 30 Ų | 30 | 41.3 Ų | 41.3 | 15% | 0.148 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 118.3 | 170.6 | -157.1 | 178.3 | 81.9 | 0 | 0 | 109.1 | I408 K409 T516 H517 W518 | M391-I408 HydrophobicContact CE-CB 3.79Å; M391-I408 HydrophobicContact CE-CD1 3.69Å; M391-I408 HydrophobicContact CE-CG1 4.33Å; M391-I408 HydrophobicContact CE-CG2 3.48Å; M391-I408 VanDerWaalsContact CE-CG2 3.48Å; M391-I408 WeakPolarHBondContact O-CB 3.45Å; M391-I408 PolarHBondContact O-N 3.47Å; M391-K409 HydrophobicContact CB-CG 4.12Å; M391-K409 HydrophobicContact CE-CD 4.44Å; M391-K409 HydrophobicContact CE-CG 4.3Å; M391-K409 PolarHBondContact N-O 3.17Å; M391-K409 PolarHBondContact O-N 2.91Å; M391-T516 HydrophobicContact CE-CG2 4.36Å; M391-T516 HydrophobicContact CG-CG2 4.07Å; M391-T516 HydrophobicContact SD-CG2 4.46Å; M391-H517 WeakPolarHBondContact CA-O 3.28Å; M391-W518 HydrophobicContact CB-CD2 3.75Å; M391-W518 HydrophobicContact CB-CE3 3.65Å; M391-W518 HydrophobicContact CB-CG 4.45Å; M391-W518 HydrophobicContact CB-CH2 3.98Å; M391-W518 HydrophobicContact CB-CZ2 4.07Å; M391-W518 HydrophobicContact CB-CZ3 3.75Å; M391-W518 HydrophobicContact CG-CD2 3.89Å; M391-W518 HydrophobicContact CG-CE3 4.32Å; M391-W518 HydrophobicContact CG-CG 4.19Å; M391-W518 HydrophobicContact CG-CZ2 4.3Å; M391-W518 HydrophobicContact SD-CD2 4.19Å; M391-W518 VanDerWaalsContact SD-CE2 3.51Å; M391-W518 HydrophobicContact SD-CH2 4.47Å; M391-W518 HydrophobicContact SD-CZ2 3.71Å |
| 392 | Y | 98.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 158.4 | 174.7 | 64.4 | -87.7 | 0 | 0 | 0 | 110.9 | I390 L394 L405 T406 I473 H503 H517 H519 | I390-Y392 HydrophobicContact CG1-CD1 4.31Å; I390-Y392 HydrophobicContact CG2-CD1 4.17Å; I390-Y392 HydrophobicContact CG2-CE1 4.32Å; Y392-L394 HydrophobicContact CD2-CD2 3.97Å; Y392-L394 HydrophobicContact CD2-CG 4.05Å; Y392-L394 HydrophobicContact CE2-CD1 4.11Å; Y392-L394 HydrophobicContact CE2-CD2 3.89Å; Y392-L394 HydrophobicContact CE2-CG 3.8Å; Y392-L405 HydrophobicContact CD2-CD1 4.04Å; Y392-L405 HydrophobicContact CD2-CG 4.1Å; Y392-L405 HydrophobicContact CE2-CD1 4.39Å; Y392-T406 CarbonylContact C-O 3.53Å; Y392-T406 WeakPolarHBondContact CA-O 3.16Å; Y392-T406 WeakPolarHBondContact CB-O 3.31Å; Y392-I473 HydrophobicContact CD1-CD1 4.27Å; Y392-I473 HydrophobicContact CD2-CD1 4.3Å; Y392-I473 HydrophobicContact CE1-CD1 3.78Å; Y392-I473 HydrophobicContact CE2-CD1 3.82Å; Y392-H503 AromaticContact CD2-CE1 3.72Å; Y392-H503 AromaticContact CE2-CE1 3.41Å; Y392-H503 VanDerWaalsContact CE2-CE1 3.41Å; Y392-H503 WeakPolarHBondContact CE2-CE1 3.39Å; Y392-H503 AromaticContact CE2-ND1 3.49Å; Y392-H503 WeakPolarHBondContact CE2-ND1 3.38Å; Y392-H503 AromaticContact CZ-ND1 3.73Å; Y392-H503 PolarHBondContact O-CE1 2.94Å; Y392-H517 PolarHBondContact N-O 3.45Å; Y392-H517 PolarHBondContact O-N 2.79Å; Y392-H519 HydrophobicContact CE1-CB 3.99Å; Y392-H519 AromaticContact CE1-CD2 3.24Å; Y392-H519 WeakPolarHBondContact CE1-CD2 3.37Å; Y392-H519 AromaticContact CE1-CG 3.56Å; Y392-H519 AromaticContact CZ-CD2 3.48Å; Y392-H519 VanDerWaalsContact CZ-CD2 3.48Å; Y392-H519 AromaticContact CZ-CG 3.91Å; Y392-H519 PolarHBondContact OH-CD2 2.91Å; Y392-H519 PolarHBondContact OH-ND1 3.28Å |
| 393 | S | 98.4 | Very high | 87.8 | Confident | 8 Ų | 8 | 39.8 Ų | 39.8 | 6% | 0.056 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 140.9 | 174.5 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | L405 T406 P514 I515 T516 | S393-L405 CarbonylContact O-C 3.6Å; S393-L405 VanDerWaalsContact O-CA 3.29Å; S393-L405 WeakPolarHBondContact O-CA 3.42Å; S393-T406 PolarHBondContact N-O 3.04Å; S393-T406 PolarHBondContact O-N 2.59Å; S393-P514 WeakPolarHBondContact OG-CB 3.47Å; S393-I515 CarbonylContact C-O 3.48Å; S393-I515 WeakPolarHBondContact CA-O 3.16Å; S393-I515 WeakPolarHBondContact CB-O 3.4Å; S393-I515 PolarHBondContact OG-O 3.27Å; S393-T516 WeakPolarHBondContact CB-OG1 3.24Å; S393-T516 PolarHBondContact OG-OG1 3.23Å |
| 394 | L | 98.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 138.2 | 169.8 | -62.1 | 179.9 | 0 | 0 | 0 | 110.8 | Y392 L405 L471 A492 W504 M507 I515 | Y392-L394 HydrophobicContact CD2-CD2 3.97Å; Y392-L394 HydrophobicContact CD2-CG 4.05Å; Y392-L394 HydrophobicContact CE2-CD1 4.11Å; Y392-L394 HydrophobicContact CE2-CD2 3.89Å; Y392-L394 HydrophobicContact CE2-CG 3.8Å; L394-L405 HydrophobicContact CD2-CB 3.95Å; L394-L405 HydrophobicContact CD2-CD1 3.85Å; L394-L405 HydrophobicContact CD2-CG 3.92Å; L394-L471 HydrophobicContact CD2-CD1 3.97Å; L394-A492 HydrophobicContact CD1-CB 4.1Å; L394-W504 HydrophobicContact CD1-CE3 4.15Å; L394-M507 HydrophobicContact CB-CB 4.14Å; L394-M507 HydrophobicContact CB-CG 3.9Å; L394-M507 HydrophobicContact CB-SD 3.57Å; L394-M507 VanDerWaalsContact CB-SD 3.57Å; L394-M507 HydrophobicContact CD1-SD 4.05Å; L394-M507 HydrophobicContact CG-SD 4.34Å; L394-I515 PolarHBondContact N-O 2.92Å; L394-I515 PolarHBondContact O-N 2.86Å |
| 395 | C | 98 | Very high | 92.5 | Very high | 26 Ų | 26 | 32.3 Ų | 32.3 | 18% | 0.176 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 121.8 | 173.5 | -174.7 | 0 | 0 | 0 | 0 | 110.4 | T404 R512 P514 | C395-T404 PolarHBondContact N-O 3.37Å; C395-T404 PolarHBondContact O-N 3.2Å; C395-R512 VanDerWaalsContact SG-C 3.55Å; C395-P514 HydrophobicContact CB-CB 4.36Å |
| 396 | Y | 97.6 | Very high | 94.3 | Very high | 7 Ų | 7 | 31.8 Ų | 31.8 | 3% | 0.027 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 136.9 | 176.1 | -169.8 | -121.7 | 0 | 0 | 0 | 112.4 | P398 R402 M403 I461 P463 V466 L508 R512 | Y396-P398 HydrophobicContact CD1-CB 4.39Å; Y396-P398 HydrophobicContact CD1-CG 3.7Å; Y396-P398 HydrophobicContact CE1-CB 3.84Å; Y396-P398 HydrophobicContact CE1-CG 3.65Å; Y396-R402 VanDerWaalsContact CD2-O 3.25Å; Y396-R402 WeakPolarHBondContact CD2-O 3.09Å; Y396-M403 HydrophobicContact CD2-CB 4.17Å; Y396-M403 HydrophobicContact CD2-CE 3.48Å; Y396-M403 VanDerWaalsContact CD2-CE 3.48Å; Y396-M403 HydrophobicContact CD2-SD 4.01Å; Y396-M403 HydrophobicContact CE2-CE 4.31Å; Y396-M403 HydrophobicContact CG-CE 3.86Å; Y396-M403 HydrophobicContact CG-SD 4.42Å; Y396-I461 HydrophobicContact CE2-CB 4.43Å; Y396-I461 WeakPolarHBondContact CE2-O 3.24Å; Y396-I461 PolarHBondContact OH-O 3.4Å; Y396-P463 WeakPolarHBondContact OH-CA 3.38Å; Y396-V466 HydrophobicContact CE1-CG2 3.74Å; Y396-V466 HydrophobicContact CE2-CG2 4.08Å; Y396-V466 VanDerWaalsContact CZ-CG2 3.48Å; Y396-V466 WeakPolarHBondContact OH-CG2 3.31Å; Y396-L508 HydrophobicContact CD1-CD2 4.06Å; Y396-R512 PolarHBondContact O-N 2.85Å |
| 397 | L | 96.9 | Very high | 95.7 | Very high | 61 Ų | 61 | 29.4 Ų | 29.4 | 32% | 0.319 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 93 | 174.4 | 173.4 | 60.6 | 0 | 0 | 0 | 108.8 | T399 A400 G401 R402 R512 | L397-T399 VanDerWaalsContact C-N 3.33Å; L397-T399 PolarHBondContact O-N 3.13Å; L397-A400 HydrophobicContact CD2-CB 3.62Å; L397-A400 HydrophobicContact CG-CB 3.81Å; L397-A400 PolarHBondContact O-N 2.82Å; L397-G401 PolarHBondContact O-N 2.84Å; L397-R402 PolarHBondContact N-O 3.49Å; L397-R402 PolarHBondContact O-N 2.9Å; L397-R402 VanDerWaalsContact O-N 3.16Å; L397-R512 HydrophobicContact CD1-CG 3.71Å |
| 398 | P | 95.3 | Very high | 96.4 | Very high | 48 Ų | 48 | 30.7 Ų | 30.7 | 31% | 0.312 | 18% | 0.176 | S | C | . | . | G | 310 helix | trans | -57.2 | -43.1 | -176.4 | -23.9 | 30.6 | 0 | 0 | 0 | 113.3 | Y396 A400 G401 P463 P511 | Y396-P398 HydrophobicContact CD1-CB 4.39Å; Y396-P398 HydrophobicContact CD1-CG 3.7Å; Y396-P398 HydrophobicContact CE1-CB 3.84Å; Y396-P398 HydrophobicContact CE1-CG 3.65Å; P398-A400 PolarHBondContact O-N 2.89Å; P398-G401 PolarHBondContact O-N 2.79Å; P398-P463 HydrophobicContact CB-CG 4.44Å; P398-P463 WeakPolarHBondContact O-CG 3.47Å; P398-P511 HydrophobicContact CG-CB 4.09Å |
| 399 | T | 94.3 | Very high | 96.8 | Very high | 136 Ų | 136 | 34.4 Ų | 34.4 | 83% | 0.834 | 19% | 0.192 | S | C | * | . | G | 310 helix | trans | -60.5 | -20.8 | -177.4 | -40.7 | 0 | 0 | 0 | 0 | 114.1 | L397 | L397-T399 VanDerWaalsContact C-N 3.33Å; L397-T399 PolarHBondContact O-N 3.13Å |
| 400 | A | 94.8 | Very high | 97.1 | Very high | 51 Ų | 51 | 32.4 Ų | 32.4 | 42% | 0.421 | 18% | 0.183 | S | C | . | . | G | 310 helix | trans | -114.3 | 6.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L397 P398 R402 | L397-A400 HydrophobicContact CD2-CB 3.62Å; L397-A400 HydrophobicContact CG-CB 3.81Å; L397-A400 PolarHBondContact O-N 2.82Å; P398-A400 PolarHBondContact O-N 2.89Å; A400-R402 HydrophobicContact CB-CB 4.24Å; A400-R402 PolarHBondContact O-N 2.83Å |
| 401 | G | 95.9 | Very high | 96.7 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 13% | 0.134 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 49.6 | 43.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L397 P398 D460 I461 | L397-G401 PolarHBondContact O-N 2.84Å; P398-G401 PolarHBondContact O-N 2.79Å; G401-D460 CarbonylContact O-C 3.51Å; G401-D460 WeakPolarHBondContact O-CA 3.47Å; G401-I461 CarbonylContact C-O 3.58Å; G401-I461 VanDerWaalsContact CA-O 3.24Å; G401-I461 WeakPolarHBondContact CA-O 3.33Å; G401-I461 CarbonylContact O-C 3.44Å; G401-I461 PolarHBondContact O-N 2.05Å; G401-I461 VanDerWaalsContact O-O 3.07Å |
| 402 | R | 96.3 | Very high | 96.2 | Very high | 112 Ų | 112 | 38.2 Ų | 38.2 | 42% | 0.423 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 124.2 | -168.4 | -174.5 | 172.8 | -69.2 | 160.5 | 3.5 | 113.2 | Y396 L397 A400 I458 | Y396-R402 VanDerWaalsContact CD2-O 3.25Å; Y396-R402 WeakPolarHBondContact CD2-O 3.09Å; L397-R402 PolarHBondContact N-O 3.49Å; L397-R402 PolarHBondContact O-N 2.9Å; L397-R402 VanDerWaalsContact O-N 3.16Å; A400-R402 HydrophobicContact CB-CB 4.24Å; A400-R402 PolarHBondContact O-N 2.83Å; R402-I458 HydrophobicContact CG-CG2 3.69Å |
| 403 | M | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 135.6 | 170.6 | -171.8 | 61.2 | 76.3 | 0 | 0 | 110.7 | Y396 I458 F459 I461 W504 M507 | Y396-M403 HydrophobicContact CD2-CB 4.17Å; Y396-M403 HydrophobicContact CD2-CE 3.48Å; Y396-M403 VanDerWaalsContact CD2-CE 3.48Å; Y396-M403 HydrophobicContact CD2-SD 4.01Å; Y396-M403 HydrophobicContact CE2-CE 4.31Å; Y396-M403 HydrophobicContact CG-CE 3.86Å; Y396-M403 HydrophobicContact CG-SD 4.42Å; M403-I458 WeakPolarHBondContact O-CA 3.42Å; M403-F459 HydrophobicContact CB-CB 4.37Å; M403-F459 WeakPolarHBondContact CB-O 3.36Å; M403-F459 PolarHBondContact N-O 3.2Å; M403-F459 PolarHBondContact O-N 2.91Å; M403-I461 HydrophobicContact CB-CD1 3.63Å; M403-I461 HydrophobicContact CB-CG1 4.17Å; M403-I461 HydrophobicContact CE-CD1 4.43Å; M403-I461 HydrophobicContact CG-CD1 4.07Å; M403-W504 HydrophobicContact CE-CH2 3.69Å; M403-W504 HydrophobicContact CE-CZ2 4.25Å; M403-W504 HydrophobicContact CE-CZ3 3.95Å; M403-M507 HydrophobicContact CE-CE 3.47Å; M403-M507 VanDerWaalsContact CE-CE 3.47Å; M403-M507 HydrophobicContact CE-SD 3.45Å; M403-M507 WeakPolarHBondContact CE-SD 3.12Å; M403-M507 HydrophobicContact SD-CE 4.21Å; M403-M507 HydrophobicContact SD-SD 3.32Å |
| 404 | T | 98 | Very high | 95 | Very high | 36 Ų | 36 | 41.9 Ų | 41.9 | 22% | 0.221 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 118.2 | 170.4 | -50.1 | 0 | 0 | 0 | 0 | 109.3 | C395 A456 I458 | C395-T404 PolarHBondContact N-O 3.37Å; C395-T404 PolarHBondContact O-N 3.2Å; T404-A456 HydrophobicContact CG2-CB 4.18Å; T404-I458 HydrophobicContact CG2-CG1 4.23Å |
| 405 | L | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 116.8 | 167.1 | 179.5 | 156.4 | 0 | 0 | 0 | 108.1 | Y392 S393 L394 V407 V428 I457 L471 I473 | Y392-L405 HydrophobicContact CD2-CD1 4.04Å; Y392-L405 HydrophobicContact CD2-CG 4.1Å; Y392-L405 HydrophobicContact CE2-CD1 4.39Å; S393-L405 CarbonylContact O-C 3.6Å; S393-L405 VanDerWaalsContact O-CA 3.29Å; S393-L405 WeakPolarHBondContact O-CA 3.42Å; L394-L405 HydrophobicContact CD2-CB 3.95Å; L394-L405 HydrophobicContact CD2-CD1 3.85Å; L394-L405 HydrophobicContact CD2-CG 3.92Å; L405-V407 HydrophobicContact CD2-CG2 3.49Å; L405-V407 VanDerWaalsContact CD2-CG2 3.49Å; L405-V428 HydrophobicContact CD1-CG1 4.32Å; L405-V428 HydrophobicContact CD2-CG2 4.36Å; L405-I457 PolarHBondContact N-O 3.01Å; L405-I457 PolarHBondContact O-N 2.94Å; L405-L471 HydrophobicContact CB-CD1 4.46Å; L405-L471 HydrophobicContact CD1-CD1 3.74Å; L405-I473 HydrophobicContact CD1-CD1 3.67Å; L405-I473 HydrophobicContact CD1-CG1 4.02Å |
| 406 | T | 98.6 | Very high | 93.6 | Very high | 42 Ų | 42 | 44.9 Ų | 44.9 | 26% | 0.258 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 111.8 | 174.4 | -55.9 | 0 | 0 | 0 | 0 | 109.3 | Y392 S393 I408 E455 | Y392-T406 CarbonylContact C-O 3.53Å; Y392-T406 WeakPolarHBondContact CA-O 3.16Å; Y392-T406 WeakPolarHBondContact CB-O 3.31Å; S393-T406 PolarHBondContact N-O 3.04Å; S393-T406 PolarHBondContact O-N 2.59Å; T406-I408 HydrophobicContact CG2-CG1 4.27Å; T406-I408 PolarHBondContact O-N 2.74Å; T406-E455 WeakPolarHBondContact CA-O 3.22Å |
| 407 | V | 98.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 114.2 | 171.2 | -177.7 | 0 | 0 | 0 | 0 | 107.6 | I390 L405 V426 T442 Y453 N454 E455 I457 | I390-V407 HydrophobicContact CD1-CG1 4.32Å; L405-V407 HydrophobicContact CD2-CG2 3.49Å; L405-V407 VanDerWaalsContact CD2-CG2 3.49Å; V407-V426 HydrophobicContact CG1-CB 4.2Å; V407-V426 HydrophobicContact CG1-CG1 4.47Å; V407-V426 HydrophobicContact CG1-CG2 3.81Å; V407-V426 HydrophobicContact CG2-CB 4.31Å; V407-V426 HydrophobicContact CG2-CG1 4.02Å; V407-T442 HydrophobicContact CB-CG2 3.92Å; V407-T442 HydrophobicContact CG1-CG2 4.13Å; V407-T442 HydrophobicContact CG2-CG2 3.81Å; V407-Y453 HydrophobicContact CG1-CD2 3.5Å; V407-Y453 VanDerWaalsContact CG1-CD2 3.5Å; V407-Y453 HydrophobicContact CG1-CE2 4.12Å; V407-Y453 HydrophobicContact CG1-CG 3.85Å; V407-N454 CarbonylContact O-C 3.59Å; V407-N454 VanDerWaalsContact O-CA 3.28Å; V407-N454 WeakPolarHBondContact O-CA 3.46Å; V407-N454 PolarHBondContact O-N 3.3Å; V407-E455 PolarHBondContact N-O 2.96Å; V407-E455 PolarHBondContact O-N 2.75Å; V407-I457 HydrophobicContact CG2-CD1 4.11Å |
| 408 | I | 98.1 | Very high | 91.4 | Very high | 31 Ų | 31 | 53 Ų | 53 | 16% | 0.159 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | -62.2 | -174.5 | -51.7 | 174.5 | 0 | 0 | 0 | 109.6 | M391 T406 Y453 N454 T516 | M391-I408 HydrophobicContact CE-CB 3.79Å; M391-I408 HydrophobicContact CE-CD1 3.69Å; M391-I408 HydrophobicContact CE-CG1 4.33Å; M391-I408 HydrophobicContact CE-CG2 3.48Å; M391-I408 VanDerWaalsContact CE-CG2 3.48Å; M391-I408 WeakPolarHBondContact O-CB 3.45Å; M391-I408 PolarHBondContact O-N 3.47Å; T406-I408 HydrophobicContact CG2-CG1 4.27Å; T406-I408 PolarHBondContact O-N 2.74Å; I408-Y453 PolarHBondContact O-N 2.94Å; I408-N454 WeakPolarHBondContact CG2-OD1 3.36Å; I408-N454 PolarHBondContact O-N 3.43Å; I408-N454 VanDerWaalsContact O-N 3.1Å; I408-T516 HydrophobicContact CD1-CG2 3.57Å |
| 409 | K | 96.8 | Very high | 90.4 | Very high | 77 Ų | 77 | 55.7 Ų | 55.7 | 34% | 0.335 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 162.4 | -179.1 | 62.9 | -173.5 | -178.9 | -177.6 | 0 | 111.8 | M391 P451 V452 W518 | M391-K409 HydrophobicContact CB-CG 4.12Å; M391-K409 HydrophobicContact CE-CD 4.44Å; M391-K409 HydrophobicContact CE-CG 4.3Å; M391-K409 PolarHBondContact N-O 3.17Å; M391-K409 PolarHBondContact O-N 2.91Å; K409-P451 CarbonylContact C-O 3.48Å; K409-P451 WeakPolarHBondContact CA-O 3.08Å; K409-P451 VanDerWaalsContact CB-O 3.3Å; K409-P451 WeakPolarHBondContact CB-O 3.35Å; K409-V452 HydrophobicContact CB-CB 4.31Å; K409-V452 HydrophobicContact CB-CG1 4.43Å; K409-V452 HydrophobicContact CB-CG2 3.96Å; K409-W518 HydrophobicContact CD-CH2 4.28Å; K409-W518 VanDerWaalsContact CE-CZ2 3.47Å; K409-W518 HydrophobicContact CG-CH2 4Å |
| 410 | C | 96.3 | Very high | 89.4 | Confident | 3 Ų | 3 | 51.7 Ų | 51.7 | 2% | 0.02 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 163.7 | 162.4 | -50.1 | 0 | 0 | 0 | 0 | 110.6 | E389 L413 N450 P451 | E389-C410 CarbonylContact O-C 3.55Å; E389-C410 WeakPolarHBondContact O-CA 3.48Å; E389-C410 VanDerWaalsContact O-CB 3.3Å; E389-C410 WeakPolarHBondContact O-CB 3.41Å; C410-L413 HydrophobicContact CB-CD1 3.94Å; C410-L413 HydrophobicContact CB-CD2 3.74Å; C410-L413 HydrophobicContact CB-CG 3.87Å; C410-N450 CarbonylContact O-C 3.53Å; C410-N450 WeakPolarHBondContact O-CA 3.44Å; C410-P451 HydrophobicContact CB-CG 3.85Å; C410-P451 PolarHBondContact N-O 3.08Å |
| 411 | R | 88.8 | Confident | 88.9 | Confident | 90 Ų | 90 | 49.9 Ų | 49.9 | 34% | 0.34 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 158.1 | 168.4 | 70.3 | -176.6 | 177.2 | -164 | -6 | 110.9 | G388 E389 L413 L449 N450 W518 | G388-R411 WeakPolarHBondContact CA-O 3.32Å; E389-R411 HydrophobicContact CB-CG 4.19Å; E389-R411 PolarHBondContact N-O 2.77Å; E389-R411 PolarHBondContact O-N 3.15Å; E389-R411 IonicContact OE1-CZ 3.42Å; E389-R411 IonicContact OE1-NE 3.19Å; E389-R411 IonicContact OE1-NH2 2.67Å; E389-R411 PolarHBondContact OE1-NH2 3.16Å; E389-R411 IonicContact OE2-CZ 3.82Å; E389-R411 IonicContact OE2-NE 3.52Å; E389-R411 PolarHBondContact OE2-NE 3.01Å; E389-R411 IonicContact OE2-NH2 3.49Å; E389-R411 PolarHBondContact OE2-NH2 2.87Å; R411-L413 PolarHBondContact O-N 2.92Å; R411-L413 VanDerWaalsContact O-N 3.13Å; R411-L449 CarbonylContact C-O 3.51Å; R411-N450 VanDerWaalsContact CA-OD1 3.26Å; R411-N450 WeakPolarHBondContact CA-OD1 3.37Å; R411-N450 WeakPolarHBondContact CB-OD1 3.23Å; R411-W518 HydrophobicContact CB-CH2 4.09Å; R411-W518 HydrophobicContact CB-CZ3 4.21Å; R411-W518 HydrophobicContact CG-CE3 4.42Å; R411-W518 HydrophobicContact CG-CH2 3.75Å; R411-W518 HydrophobicContact CG-CZ3 3.6Å |
| 412 | N | 85.3 | Confident | 88.6 | Confident | 62 Ų | 62 | 49.3 Ų | 49.3 | 33% | 0.332 | 26% | 0.264 | S | S | . | . | S | Bend | trans | 52.3 | 30.4 | 174.8 | -62.4 | -3.3 | 0 | 0 | 0 | 115.1 | G388 L449 N450 | G388-N412 WeakPolarHBondContact CA-O 3.12Å; N412-L449 PolarHBondContact N-O 3.44Å; N412-N450 PolarHBondContact N-OD1 2.75Å; N412-N450 VanDerWaalsContact N-OD1 3.16Å |
| 413 | L | 88.4 | Confident | 88.5 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -57.8 | 144.1 | 179.8 | -64 | -179.2 | 0 | 0 | 0 | 111.5 | L387 C410 R411 A415 P424 L449 P451 V475 I487 L521 | L387-L413 WeakPolarHBondContact O-CA 3.43Å; C410-L413 HydrophobicContact CB-CD1 3.94Å; C410-L413 HydrophobicContact CB-CD2 3.74Å; C410-L413 HydrophobicContact CB-CG 3.87Å; R411-L413 PolarHBondContact O-N 2.92Å; R411-L413 VanDerWaalsContact O-N 3.13Å; L413-A415 PolarHBondContact O-N 2.71Å; L413-P424 HydrophobicContact CD1-CB 3.83Å; L413-P424 HydrophobicContact CD1-CG 4.02Å; L413-L449 HydrophobicContact CB-CB 4.3Å; L413-L449 HydrophobicContact CB-CD2 4.45Å; L413-L449 PolarHBondContact N-O 2.89Å; L413-L449 WeakPolarHBondContact O-CD2 3.24Å; L413-P451 HydrophobicContact CD1-CG 3.79Å; L413-V475 HydrophobicContact CD1-CG1 3.94Å; L413-V475 HydrophobicContact CD2-CG1 4.04Å; L413-I487 HydrophobicContact CB-CG2 4.29Å; L413-I487 HydrophobicContact CD2-CG2 4.21Å; L413-L521 HydrophobicContact CD2-CD1 3.59Å |
| 414 | K | 84.2 | Confident | 88.6 | Confident | 80 Ų | 80 | 44.3 Ų | 44.3 | 35% | 0.348 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -60.4 | 129.5 | 168.4 | 173.5 | -177 | 173.1 | -167.2 | 0 | 109.3 | L387 M416 S422 I487 | L387-K414 HydrophobicContact CD2-CB 4.38Å; L387-K414 HydrophobicContact CD2-CD 3.58Å; L387-K414 PolarHBondContact O-N 2.81Å; K414-M416 HydrophobicContact CD-SD 3.67Å; K414-M416 WeakPolarHBondContact CE-SD 3.27Å; K414-M416 HydrophobicContact CG-SD 3.78Å; K414-S422 PolarHBondContact O-OG 3.48Å; K414-I487 HydrophobicContact CB-CG2 4.31Å |
| 415 | A | 84.5 | Confident | 88.6 | Confident | 40 Ų | 40 | 43 Ų | 43 | 33% | 0.331 | 24% | 0.237 | S | C | . | . | P | Polyproline II helix | trans | -74.9 | 128.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | L413 S421 L449 | L413-A415 PolarHBondContact O-N 2.71Å; A415-S421 WeakPolarHBondContact CA-O 3.43Å; A415-S421 WeakPolarHBondContact CB-O 3.28Å; A415-L449 HydrophobicContact CB-CD1 4.11Å; A415-L449 HydrophobicContact CB-CD2 3.94Å |
| 416 | M | 81.6 | Confident | 88.6 | Confident | 49 Ų | 49 | 43 Ų | 43 | 24% | 0.241 | 24% | 0.237 | C | C | . | . | trans | -108.3 | -32.2 | 174.1 | -46.4 | -66.2 | -64.2 | 0 | 0 | 111.6 | K414 S421 S422 D477 E485 I487 | K414-M416 HydrophobicContact CD-SD 3.67Å; K414-M416 WeakPolarHBondContact CE-SD 3.27Å; K414-M416 HydrophobicContact CG-SD 3.78Å; M416-S421 PolarHBondContact N-O 3.47Å; M416-S421 VanDerWaalsContact N-O 3.13Å; M416-S422 PolarHBondContact N-OG 2.73Å; M416-D477 HydrophobicContact CB-CB 4.44Å; M416-D477 WeakPolarHBondContact CB-OD2 3.45Å; M416-D477 HydrophobicContact CG-CB 4.3Å; M416-E485 HydrophobicContact CE-CB 4.15Å; M416-E485 WeakPolarHBondContact CE-OE2 3.48Å; M416-I487 HydrophobicContact CG-CG1 3.9Å | ||
| 417 | D | 78 | Confident | 88.5 | Confident | 52 Ų | 52 | 42.5 Ų | 42.5 | 28% | 0.278 | 23% | 0.231 | S | C | . | . | S | Bend | trans | -58.9 | 142.2 | 174.5 | -85.8 | -54.5 | 0 | 0 | 0 | 111.6 | T419 G420 S421 | D417-T419 HydrophobicContact CB-CG2 4.29Å; D417-T419 WeakPolarHBondContact CB-OG1 3.45Å; D417-T419 PolarHBondContact O-N 2.89Å; D417-T419 PolarHBondContact OD2-OG1 3.39Å; D417-G420 PolarHBondContact O-N 2.63Å; D417-S421 WeakPolarHBondContact CB-O 3.39Å; D417-S421 PolarHBondContact N-O 3.31Å |
| 418 | I | 71.8 | Confident | 88.5 | Confident | 186 Ų | 186 | 42.5 Ų | 42.5 | 95% | 0.954 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -22.2 | 163.4 | -61.5 | 164.1 | 0 | 0 | 0 | 111.7 | G420 | I418-G420 PolarHBondContact O-N 3.11Š|
| 419 | T | 73.4 | Confident | 88.4 | Confident | 104 Ų | 104 | 42.6 Ų | 42.6 | 64% | 0.638 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -8.5 | 174.5 | 75.2 | 0 | 0 | 0 | 0 | 114.4 | D417 S421 | D417-T419 HydrophobicContact CB-CG2 4.29Å; D417-T419 WeakPolarHBondContact CB-OG1 3.45Å; D417-T419 PolarHBondContact O-N 2.89Å; D417-T419 PolarHBondContact OD2-OG1 3.39Å; T419-S421 WeakPolarHBondContact OG1-CB 3.47Å |
| 420 | G | 73.3 | Confident | 88.3 | Confident | 52 Ų | 52 | 39.1 Ų | 39.1 | 54% | 0.536 | 21% | 0.214 | S | C | . | . | S | Bend | trans | 77.8 | 27.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D417 I418 | D417-G420 PolarHBondContact O-N 2.63Å; I418-G420 PolarHBondContact O-N 3.11Å |
| 421 | S | 83.3 | Confident | 88.2 | Confident | 14 Ų | 14 | 39.5 Ų | 39.5 | 10% | 0.098 | 22% | 0.216 | C | C | . | . | trans | -142.7 | -163 | -174.9 | -154 | 0 | 0 | 0 | 0 | 110.7 | A415 M416 D417 T419 S447 T448 | A415-S421 WeakPolarHBondContact CA-O 3.43Å; A415-S421 WeakPolarHBondContact CB-O 3.28Å; M416-S421 PolarHBondContact N-O 3.47Å; M416-S421 VanDerWaalsContact N-O 3.13Å; D417-S421 WeakPolarHBondContact CB-O 3.39Å; D417-S421 PolarHBondContact N-O 3.31Å; T419-S421 WeakPolarHBondContact OG1-CB 3.47Å; S421-S447 VanDerWaalsContact CB-OG 3.26Å; S421-S447 WeakPolarHBondContact CB-OG 3.42Å; S421-S447 VanDerWaalsContact OG-CA 3.27Å; S421-S447 WeakPolarHBondContact OG-CA 3.38Å; S421-S447 PolarHBondContact OG-O 2.86Å; S421-S447 PolarHBondContact OG-OG 3.43Å; S421-T448 PolarHBondContact OG-N 2.92Å | ||
| 422 | S | 90.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -155.2 | 155.1 | 171.7 | -77.4 | 0 | 0 | 0 | 0 | 110.6 | K414 M416 P424 S447 T448 D477 | K414-S422 PolarHBondContact O-OG 3.48Å; M416-S422 PolarHBondContact N-OG 2.73Å; S422-P424 WeakPolarHBondContact O-CD 3.48Å; S422-S447 CarbonylContact O-C 3.59Å; S422-S447 WeakPolarHBondContact O-CA 3.22Å; S422-S447 PolarHBondContact O-N 3.46Å; S422-T448 PolarHBondContact O-N 2.84Å; S422-D477 VanDerWaalsContact CA-OD2 3.29Å; S422-D477 WeakPolarHBondContact CA-OD2 3.27Å; S422-D477 WeakPolarHBondContact CB-OD2 3.35Å; S422-D477 PolarHBondContact OG-OD2 2.89Å | ||
| 423 | D | 95 | Very high | 88.1 | Confident | 7 Ų | 7 | 37.5 Ų | 37.5 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | trans | -99.3 | 67.5 | 164.9 | -87.3 | 8.9 | 0 | 0 | 0 | 109.5 | T444 K445 K446 S447 D477 Y478 R480 | D423-T444 HydrophobicContact CB-CG2 4.16Å; D423-T444 WeakPolarHBondContact O-CG2 3.45Å; D423-K445 CarbonylContact C-O 3.12Å; D423-K445 WeakPolarHBondContact CA-O 3.47Å; D423-K446 WeakPolarHBondContact OD1-CA 3.5Å; D423-K446 WeakPolarHBondContact OD1-CB 3.44Å; D423-S447 PolarHBondContact OD1-N 3.44Å; D423-D477 WeakPolarHBondContact CA-OD1 3.37Å; D423-D477 PolarHBondContact N-OD1 3.49Å; D423-Y478 HydrophobicContact CB-CD1 4.44Å; D423-Y478 VanDerWaalsContact O-CB 3.31Å; D423-Y478 WeakPolarHBondContact O-CB 3.29Å; D423-Y478 PolarHBondContact O-N 3.19Å; D423-R480 IonicContact OD2-NE 3.35Å; D423-R480 IonicContact OD2-NH2 2.64Å | ||
| 424 | P | 97.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | trans | -73.2 | 149 | -166.8 | 31.7 | -40.5 | 0 | 0 | 0 | 115.9 | L413 S422 T444 K445 T448 P451 Y453 V475 M476 I487 | L413-P424 HydrophobicContact CD1-CB 3.83Å; L413-P424 HydrophobicContact CD1-CG 4.02Å; S422-P424 WeakPolarHBondContact O-CD 3.48Å; P424-T444 WeakPolarHBondContact O-CA 3.3Å; P424-K445 VanDerWaalsContact CD-O 3.25Å; P424-K445 WeakPolarHBondContact CD-O 3.34Å; P424-K445 VanDerWaalsContact N-O 3.13Å; P424-K445 PolarHBondContact O-N 3.31Å; P424-T448 WeakPolarHBondContact CD-O 3.18Å; P424-T448 HydrophobicContact CG-CG2 4.36Å; P424-T448 VanDerWaalsContact CG-O 3.28Å; P424-T448 WeakPolarHBondContact CG-O 3.23Å; P424-P451 HydrophobicContact CB-CG 4.33Å; P424-P451 HydrophobicContact CG-CB 3.92Å; P424-P451 HydrophobicContact CG-CG 3.68Å; P424-Y453 PolarHBondContact O-OH 3.46Å; P424-V475 HydrophobicContact CB-CG1 4.42Å; P424-M476 CarbonylContact C-O 3.46Å; P424-M476 WeakPolarHBondContact CA-O 3.28Å; P424-I487 HydrophobicContact CB-CD1 4.14Å | ||
| 425 | Y | 98.1 | Very high | 87.4 | Confident | 10 Ų | 10 | 42.4 Ų | 42.4 | 4% | 0.039 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 153.6 | 163.6 | 69.4 | -80.2 | 0 | 0 | 0 | 111.8 | K427 K441 M476 D477 N484 | Y425-K427 HydrophobicContact CE2-CB 4.18Å; Y425-K427 WeakPolarHBondContact OH-CE 3.4Å; Y425-K441 HydrophobicContact CD2-CB 4.24Å; Y425-K441 HydrophobicContact CD2-CD 4.12Å; Y425-K441 HydrophobicContact CE2-CD 4.24Å; Y425-M476 HydrophobicContact CD1-CB 3.91Å; Y425-M476 HydrophobicContact CD2-CB 4.28Å; Y425-M476 HydrophobicContact CD2-CG 4.36Å; Y425-M476 HydrophobicContact CE1-CB 3.44Å; Y425-M476 VanDerWaalsContact CE1-CB 3.44Å; Y425-M476 HydrophobicContact CE1-CG 4.26Å; Y425-M476 HydrophobicContact CE2-CB 3.84Å; Y425-M476 HydrophobicContact CE2-CG 3.75Å; Y425-M476 HydrophobicContact CG-CB 4.29Å; Y425-M476 PolarHBondContact N-O 3.1Å; Y425-M476 PolarHBondContact O-N 3.32Å; Y425-D477 WeakPolarHBondContact CE1-O 3.44Å; Y425-N484 HydrophobicContact CE1-CB 4.48Å; Y425-N484 PolarHBondContact OH-ND2 3.49Å; Y425-N484 VanDerWaalsContact OH-ND2 3.11Å |
| 426 | V | 98.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 133.5 | 177.8 | -178.3 | 0 | 0 | 0 | 0 | 110.2 | I390 V407 V428 K441 T442 Y453 I473 M474 V475 | I390-V426 HydrophobicContact CD1-CG1 3.98Å; I390-V426 HydrophobicContact CD1-CG2 3.83Å; V407-V426 HydrophobicContact CG1-CB 4.2Å; V407-V426 HydrophobicContact CG1-CG1 4.47Å; V407-V426 HydrophobicContact CG1-CG2 3.81Å; V407-V426 HydrophobicContact CG2-CB 4.31Å; V407-V426 HydrophobicContact CG2-CG1 4.02Å; V426-V428 HydrophobicContact CG1-CG2 4Å; V426-K441 CarbonylContact O-C 3.39Å; V426-K441 WeakPolarHBondContact O-CA 3.47Å; V426-K441 WeakPolarHBondContact O-CB 3.44Å; V426-T442 HydrophobicContact CB-CG2 3.94Å; V426-T442 PolarHBondContact N-OG1 3.46Å; V426-T442 PolarHBondContact O-N 3.47Å; V426-Y453 HydrophobicContact CG2-CE2 3.84Å; V426-I473 HydrophobicContact CG1-CG2 3.87Å; V426-M474 CarbonylContact C-O 3.55Å; V426-M474 WeakPolarHBondContact CA-O 3.32Å; V426-V475 HydrophobicContact CG2-CG2 4.29Å |
| 427 | K | 97.8 | Very high | 88 | Confident | 30 Ų | 30 | 49.1 Ų | 49.1 | 13% | 0.13 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 114.7 | -177.6 | -177.1 | -166.6 | -66.9 | 163.2 | 0 | 108 | Y425 Y429 M474 M476 | Y425-K427 HydrophobicContact CE2-CB 4.18Å; Y425-K427 WeakPolarHBondContact OH-CE 3.4Å; K427-Y429 HydrophobicContact CD-CE2 3.63Å; K427-Y429 HydrophobicContact CG-CD2 4.4Å; K427-Y429 HydrophobicContact CG-CE2 3.8Å; K427-M474 HydrophobicContact CB-CB 4.42Å; K427-M474 HydrophobicContact CD-SD 4.1Å; K427-M474 PolarHBondContact N-O 3.07Å; K427-M474 PolarHBondContact O-N 3.24Å; K427-M476 HydrophobicContact CB-CG 3.83Å; K427-M476 HydrophobicContact CB-SD 4.43Å; K427-M476 HydrophobicContact CD-CG 4.28Å; K427-M476 HydrophobicContact CD-SD 4.02Å; K427-M476 VanDerWaalsContact CE-SD 3.59Å; K427-M476 PolarHBondContact NZ-SD 3.44Å |
| 428 | V | 97.7 | Very high | 88.7 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 129.8 | -175.4 | -173.5 | 0 | 0 | 0 | 0 | 110.5 | L405 V426 R440 I457 F459 L471 S472 I473 | L405-V428 HydrophobicContact CD1-CG1 4.32Å; L405-V428 HydrophobicContact CD2-CG2 4.36Å; V426-V428 HydrophobicContact CG1-CG2 4Å; V428-R440 PolarHBondContact N-O 3.2Å; V428-R440 PolarHBondContact O-N 3.44Å; V428-I457 HydrophobicContact CB-CD1 4.23Å; V428-I457 HydrophobicContact CG2-CD1 3.71Å; V428-F459 HydrophobicContact CB-CZ 4.28Å; V428-F459 HydrophobicContact CG1-CE2 3.78Å; V428-F459 HydrophobicContact CG1-CZ 3.84Å; V428-L471 HydrophobicContact CG1-CD2 4.44Å; V428-S472 WeakPolarHBondContact CA-O 3.17Å; V428-I473 HydrophobicContact CG1-CG1 4.22Å; V428-I473 HydrophobicContact CG2-CG1 4.4Å; V428-I473 HydrophobicContact CG2-CG2 4.37Å |
| 429 | Y | 95.9 | Very high | 89.8 | Confident | 33 Ų | 33 | 46 Ų | 46 | 13% | 0.129 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 128.1 | 172.3 | -70.9 | -99.6 | 0 | 0 | 0 | 110.1 | K427 R436 K438 K439 L471 S472 M474 | K427-Y429 HydrophobicContact CD-CE2 3.63Å; K427-Y429 HydrophobicContact CG-CD2 4.4Å; K427-Y429 HydrophobicContact CG-CE2 3.8Å; Y429-R436 HydrophobicContact CD1-CB 3.96Å; Y429-R436 HydrophobicContact CD1-CG 3.97Å; Y429-R436 HydrophobicContact CE1-CB 4.47Å; Y429-R436 HydrophobicContact CE1-CG 4.48Å; Y429-R436 HydrophobicContact CG-CG 4.47Å; Y429-K438 CarbonylContact C-O 3.34Å; Y429-K438 WeakPolarHBondContact CA-O 3.45Å; Y429-K439 HydrophobicContact CD1-CB 4.04Å; Y429-K439 HydrophobicContact CD1-CD 4.46Å; Y429-K439 HydrophobicContact CD1-CG 4.16Å; Y429-K439 HydrophobicContact CE1-CB 4.02Å; Y429-K439 HydrophobicContact CE1-CD 3.67Å; Y429-K439 HydrophobicContact CE1-CG 3.85Å; Y429-K439 HydrophobicContact CE2-CD 4.38Å; Y429-K439 HydrophobicContact CE2-CG 4.37Å; Y429-K439 VanDerWaalsContact OH-CE 3.31Å; Y429-K439 WeakPolarHBondContact OH-CE 3.18Å; Y429-K439 PolarHBondContact OH-NZ 3.48Å; Y429-L471 WeakPolarHBondContact O-CA 3.33Å; Y429-S472 PolarHBondContact N-O 2.98Å; Y429-S472 PolarHBondContact O-N 3.42Å; Y429-M474 HydrophobicContact CD2-CE 3.71Å; Y429-M474 HydrophobicContact CD2-SD 4.31Å; Y429-M474 HydrophobicContact CE2-CE 3.69Å; Y429-M474 HydrophobicContact CE2-SD 3.96Å |
| 430 | L | 95.4 | Very high | 91 | Very high | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.021 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 121.2 | 158.6 | -179.4 | 67 | 0 | 0 | 0 | 108.1 | L437 K438 F459 I461 V469 L471 | L430-L437 PolarHBondContact O-N 3.38Å; L430-K438 HydrophobicContact CB-CB 4.08Å; L430-K438 HydrophobicContact CD2-CB 4.36Å; L430-K438 HydrophobicContact CD2-CD 4.1Å; L430-K438 HydrophobicContact CD2-CG 4.34Å; L430-K438 PolarHBondContact N-O 3.42Å; L430-K438 PolarHBondContact O-N 3.34Å; L430-F459 HydrophobicContact CB-CD1 3.92Å; L430-F459 HydrophobicContact CB-CE1 3.92Å; L430-F459 HydrophobicContact CB-CG 4.42Å; L430-F459 HydrophobicContact CB-CZ 4.41Å; L430-F459 HydrophobicContact CD2-CB 4.4Å; L430-F459 HydrophobicContact CD2-CD1 4.29Å; L430-I461 HydrophobicContact CD1-CD1 3.59Å; L430-I461 HydrophobicContact CD1-CG1 4.23Å; L430-I461 HydrophobicContact CD2-CD1 4.39Å; L430-I461 HydrophobicContact CD2-CG1 4.15Å; L430-V469 HydrophobicContact CD1-CB 3.91Å; L430-V469 HydrophobicContact CD1-CG1 4.29Å; L430-V469 HydrophobicContact CD1-CG2 4.34Å; L430-L471 HydrophobicContact CB-CD2 4.37Å; L430-L471 HydrophobicContact CD1-CD2 3.8Å |
| 431 | V | 92.7 | Very high | 92.1 | Very high | 11 Ų | 11 | 51 Ų | 51 | 7% | 0.067 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 145.9 | 177 | -175.8 | 0 | 0 | 0 | 0 | 108.3 | R435 R436 V469 S470 | V431-R435 CarbonylContact C-O 3.51Å; V431-R435 WeakPolarHBondContact CA-O 3.33Å; V431-R436 HydrophobicContact CG2-CG 4.23Å; V431-V469 CarbonylContact O-C 3.56Å; V431-V469 WeakPolarHBondContact O-CA 3.37Å; V431-V469 WeakPolarHBondContact O-CB 3.16Å; V431-S470 PolarHBondContact N-O 2.99Å; V431-S470 PolarHBondContact O-N 2.94Å |
| 432 | C | 89.2 | Confident | 92.9 | Very high | 20 Ų | 20 | 50.6 Ų | 50.6 | 14% | 0.135 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 125.4 | 170.7 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | G434 R435 L437 Q468 V469 | C432-G434 PolarHBondContact O-N 3.37Å; C432-G434 VanDerWaalsContact O-N 3.16Å; C432-R435 PolarHBondContact N-O 3.31Å; C432-R435 PolarHBondContact O-N 2.86Å; C432-L437 HydrophobicContact CB-CD1 3.4Å; C432-L437 HydrophobicContact CB-CD2 4.39Å; C432-L437 HydrophobicContact CB-CG 3.78Å; C432-Q468 WeakPolarHBondContact CA-O 3.12Å; C432-V469 HydrophobicContact CB-CG1 3.95Å |
| 433 | N | 83 | Confident | 93.2 | Very high | 91 Ų | 91 | 54.1 Ų | 54.1 | 49% | 0.487 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.1 | 44.7 | -178.2 | -65.8 | -51.1 | 0 | 0 | 0 | 113.1 | R435 Q468 | N433-R435 PolarHBondContact O-N 2.97Å; N433-Q468 PolarHBondContact N-O 2.87Å; N433-Q468 PolarHBondContact ND2-OE1 3.02Å |
| 434 | G | 76.6 | Confident | 93.3 | Very high | 38 Ų | 38 | 56 Ų | 56 | 39% | 0.392 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | -20.8 | -176 | 0 | 0 | 0 | 0 | 0 | 115.9 | C432 | C432-G434 PolarHBondContact O-N 3.37Å; C432-G434 VanDerWaalsContact O-N 3.16Å |
| 435 | R | 81.9 | Confident | 93.3 | Very high | 149 Ų | 149 | 58.4 Ų | 58.4 | 56% | 0.562 | 28% | 0.276 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 127.9 | -176.9 | -61.3 | -176.2 | 175.9 | -155.4 | -5 | 111.9 | V431 C432 N433 L437 | V431-R435 CarbonylContact C-O 3.51Å; V431-R435 WeakPolarHBondContact CA-O 3.33Å; C432-R435 PolarHBondContact N-O 3.31Å; C432-R435 PolarHBondContact O-N 2.86Å; N433-R435 PolarHBondContact O-N 2.97Å; R435-L437 PolarHBondContact O-N 3.42Å |
| 436 | R | 88.6 | Confident | 93.2 | Very high | 125 Ų | 125 | 64.5 Ų | 64.5 | 47% | 0.472 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 103 | 177.8 | -71.7 | 171.2 | 172.5 | 177.4 | -6.2 | 110.4 | Y429 V431 E524 | Y429-R436 HydrophobicContact CD1-CB 3.96Å; Y429-R436 HydrophobicContact CD1-CG 3.97Å; Y429-R436 HydrophobicContact CE1-CB 4.47Å; Y429-R436 HydrophobicContact CE1-CG 4.48Å; Y429-R436 HydrophobicContact CG-CG 4.47Å; V431-R436 HydrophobicContact CG2-CG 4.23Å; R436-E524 IonicContact NH2-OE1 2.63Å |
| 437 | L | 90 | Very high | 92.8 | Very high | 106 Ų | 106 | 68 Ų | 68 | 56% | 0.555 | 33% | 0.327 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -52.7 | -173.6 | -64 | -171 | 0 | 0 | 0 | 115.3 | L430 C432 R435 | L430-L437 PolarHBondContact O-N 3.38Å; C432-L437 HydrophobicContact CB-CD1 3.4Å; C432-L437 HydrophobicContact CB-CD2 4.39Å; C432-L437 HydrophobicContact CB-CG 3.78Å; R435-L437 PolarHBondContact O-N 3.42Å |
| 438 | K | 93.4 | Very high | 92.5 | Very high | 65 Ų | 65 | 68.4 Ų | 68.4 | 28% | 0.283 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 135.4 | -176.8 | -67 | 178.5 | 179.7 | 172.1 | 0 | 109.2 | Y429 L430 F459 D460 | Y429-K438 CarbonylContact C-O 3.34Å; Y429-K438 WeakPolarHBondContact CA-O 3.45Å; L430-K438 HydrophobicContact CB-CB 4.08Å; L430-K438 HydrophobicContact CD2-CB 4.36Å; L430-K438 HydrophobicContact CD2-CD 4.1Å; L430-K438 HydrophobicContact CD2-CG 4.34Å; L430-K438 PolarHBondContact N-O 3.42Å; L430-K438 PolarHBondContact O-N 3.34Å; K438-F459 HydrophobicContact CB-CD1 3.88Å; K438-F459 HydrophobicContact CB-CE1 3.84Å; K438-F459 HydrophobicContact CD-CD1 4.09Å; K438-D460 PolarHBondContact NZ-O 2.99Å; K438-D460 IonicContact NZ-OD2 3.57Å; K438-D460 PolarHBondContact NZ-OD2 2.62Å |
| 439 | K | 95.4 | Very high | 92.1 | Very high | 108 Ų | 108 | 70.5 Ų | 70.5 | 47% | 0.47 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 139.1 | 176.4 | -177.1 | 179.7 | -178.9 | 165.7 | 0 | 111 | Y429 | Y429-K439 HydrophobicContact CD1-CB 4.04Å; Y429-K439 HydrophobicContact CD1-CD 4.46Å; Y429-K439 HydrophobicContact CD1-CG 4.16Å; Y429-K439 HydrophobicContact CE1-CB 4.02Å; Y429-K439 HydrophobicContact CE1-CD 3.67Å; Y429-K439 HydrophobicContact CE1-CG 3.85Å; Y429-K439 HydrophobicContact CE2-CD 4.38Å; Y429-K439 HydrophobicContact CE2-CG 4.37Å; Y429-K439 VanDerWaalsContact OH-CE 3.31Å; Y429-K439 WeakPolarHBondContact OH-CE 3.18Å; Y429-K439 PolarHBondContact OH-NZ 3.48Å |
| 440 | R | 97.8 | Very high | 92 | Very high | 125 Ų | 125 | 72.8 Ų | 72.8 | 47% | 0.472 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 163.5 | 173.2 | -64 | -66.8 | -178.8 | -103.4 | 8.9 | 109.8 | V428 I457 F459 | V428-R440 PolarHBondContact N-O 3.2Å; V428-R440 PolarHBondContact O-N 3.44Å; R440-I457 HydrophobicContact CB-CD1 4.38Å; R440-I457 HydrophobicContact CB-CG2 3.51Å; R440-I457 HydrophobicContact CG-CG2 3.75Å; R440-F459 HydrophobicContact CB-CE1 4.47Å; R440-F459 HydrophobicContact CB-CZ 4.21Å; R440-F459 HydrophobicContact CG-CE1 3.76Å; R440-F459 HydrophobicContact CG-CZ 3.95Å |
| 441 | K | 97.1 | Very high | 92.1 | Very high | 136 Ų | 136 | 72.7 Ų | 72.7 | 59% | 0.591 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 157.5 | 172.5 | 64.1 | 163.3 | -174.3 | 167.5 | 0 | 111.5 | Y425 V426 | Y425-K441 HydrophobicContact CD2-CB 4.24Å; Y425-K441 HydrophobicContact CD2-CD 4.12Å; Y425-K441 HydrophobicContact CE2-CD 4.24Å; V426-K441 CarbonylContact O-C 3.39Å; V426-K441 WeakPolarHBondContact O-CA 3.47Å; V426-K441 WeakPolarHBondContact O-CB 3.44Å |
| 442 | T | 98.3 | Very high | 92.3 | Very high | 5 Ų | 5 | 75.9 Ų | 75.9 | 3% | 0.031 | 38% | 0.376 | C | S | . | . | trans | -78.5 | 175.9 | 168.3 | 63.4 | 0 | 0 | 0 | 0 | 111.4 | V407 V426 Y453 E455 I457 | V407-T442 HydrophobicContact CB-CG2 3.92Å; V407-T442 HydrophobicContact CG1-CG2 4.13Å; V407-T442 HydrophobicContact CG2-CG2 3.81Å; V426-T442 HydrophobicContact CB-CG2 3.94Å; V426-T442 PolarHBondContact N-OG1 3.46Å; V426-T442 PolarHBondContact O-N 3.47Å; T442-Y453 HydrophobicContact CG2-CD1 4.11Å; T442-Y453 HydrophobicContact CG2-CG 4.42Å; T442-Y453 WeakPolarHBondContact OG1-CE1 3.33Å; T442-E455 WeakPolarHBondContact CA-OE2 3.07Å; T442-E455 WeakPolarHBondContact CB-OE2 3.32Å; T442-E455 HydrophobicContact CG2-CB 4.12Å; T442-I457 HydrophobicContact CG2-CD1 4.28Å | ||
| 443 | T | 97.9 | Very high | 92.8 | Very high | 74 Ų | 74 | 75.6 Ų | 75.6 | 45% | 0.454 | 37% | 0.372 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 156.9 | 157.4 | 69.8 | 0 | 0 | 0 | 0 | 111.1 | K445 Y453 E455 | T443-K445 PolarHBondContact OG1-NZ 2.91Å; T443-Y453 WeakPolarHBondContact O-CE1 3.29Å; T443-E455 PolarHBondContact N-OE2 3.38Å; T443-E455 PolarHBondContact OG1-OE1 3.4Å |
| 444 | T | 97.5 | Very high | 93.4 | Very high | 46 Ų | 46 | 76.4 Ų | 76.4 | 28% | 0.282 | 38% | 0.377 | S | S | . | . | P | Polyproline II helix | trans | -86.9 | 131.8 | 173.5 | -51.4 | 0 | 0 | 0 | 0 | 110 | D423 P424 Y478 | D423-T444 HydrophobicContact CB-CG2 4.16Å; D423-T444 WeakPolarHBondContact O-CG2 3.45Å; P424-T444 WeakPolarHBondContact O-CA 3.3Å; T444-Y478 HydrophobicContact CG2-CD1 4.12Å; T444-Y478 HydrophobicContact CG2-CG 4.18Å |
| 445 | K | 97.3 | Very high | 94.5 | Very high | 50 Ų | 50 | 76.6 Ų | 76.6 | 22% | 0.217 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -98.5 | 145.1 | 167.9 | -49.8 | -45.7 | -173.9 | -161.5 | 0 | 108.1 | D423 P424 T443 T448 P451 V452 Y453 E455 | D423-K445 CarbonylContact C-O 3.12Å; D423-K445 WeakPolarHBondContact CA-O 3.47Å; P424-K445 VanDerWaalsContact CD-O 3.25Å; P424-K445 WeakPolarHBondContact CD-O 3.34Å; P424-K445 VanDerWaalsContact N-O 3.13Å; P424-K445 PolarHBondContact O-N 3.31Å; T443-K445 PolarHBondContact OG1-NZ 2.91Å; K445-T448 HydrophobicContact CB-CG2 3.8Å; K445-P451 HydrophobicContact CB-CB 3.94Å; K445-P451 HydrophobicContact CG-CB 3.74Å; K445-V452 WeakPolarHBondContact CE-O 3.39Å; K445-Y453 HydrophobicContact CD-CD1 4.37Å; K445-Y453 HydrophobicContact CD-CE1 4.46Å; K445-Y453 HydrophobicContact CG-CD1 4.15Å; K445-Y453 HydrophobicContact CG-CE1 3.86Å; K445-E455 IonicContact NZ-OE1 3.79Å; K445-E455 PolarHBondContact NZ-OE1 3.39Å |
| 446 | K | 94.8 | Very high | 95.2 | Very high | 139 Ų | 139 | 72.7 Ų | 72.7 | 60% | 0.604 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -101.2 | 142.2 | -173.7 | -64.3 | -170.5 | 173.6 | 178.7 | 0 | 112.9 | D423 T448 | D423-K446 WeakPolarHBondContact OD1-CA 3.5Å; D423-K446 WeakPolarHBondContact OD1-CB 3.44Å; K446-T448 PolarHBondContact O-N 3.23Å |
| 447 | S | 91.1 | Very high | 95.7 | Very high | 73 Ų | 73 | 67.2 Ų | 67.2 | 51% | 0.51 | 35% | 0.347 | S | S | . | . | S | Bend | trans | 38.1 | 59.7 | 176.7 | -153.7 | 0 | 0 | 0 | 0 | 113.4 | S421 S422 D423 | S421-S447 VanDerWaalsContact CB-OG 3.26Å; S421-S447 WeakPolarHBondContact CB-OG 3.42Å; S421-S447 VanDerWaalsContact OG-CA 3.27Å; S421-S447 WeakPolarHBondContact OG-CA 3.38Å; S421-S447 PolarHBondContact OG-O 2.86Å; S421-S447 PolarHBondContact OG-OG 3.43Å; S422-S447 CarbonylContact O-C 3.59Å; S422-S447 WeakPolarHBondContact O-CA 3.22Å; S422-S447 PolarHBondContact O-N 3.46Å; D423-S447 PolarHBondContact OD1-N 3.44Å |
| 448 | T | 90.8 | Very high | 96 | Very high | 38 Ų | 38 | 65.9 Ų | 65.9 | 23% | 0.233 | 34% | 0.34 | C | S | . | . | trans | -149.1 | 129 | 178.4 | -179.7 | 0 | 0 | 0 | 0 | 113.5 | S421 S422 P424 K445 K446 N450 P451 | S421-T448 PolarHBondContact OG-N 2.92Å; S422-T448 PolarHBondContact O-N 2.84Å; P424-T448 WeakPolarHBondContact CD-O 3.18Å; P424-T448 HydrophobicContact CG-CG2 4.36Å; P424-T448 VanDerWaalsContact CG-O 3.28Å; P424-T448 WeakPolarHBondContact CG-O 3.23Å; K445-T448 HydrophobicContact CB-CG2 3.8Å; K446-T448 PolarHBondContact O-N 3.23Å; T448-N450 VanDerWaalsContact C-N 3.28Å; T448-N450 PolarHBondContact OG1-N 2.88Å; T448-N450 VanDerWaalsContact OG1-N 3.1Å; T448-P451 HydrophobicContact CG2-CB 4.02Å | ||
| 449 | L | 90.4 | Very high | 96.2 | Very high | 44 Ų | 44 | 62.8 Ų | 62.8 | 23% | 0.23 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -86.5 | 2 | 171.5 | -52 | -178.7 | 0 | 0 | 0 | 113 | R411 N412 L413 A415 P451 | R411-L449 CarbonylContact C-O 3.51Å; N412-L449 PolarHBondContact N-O 3.44Å; L413-L449 HydrophobicContact CB-CB 4.3Å; L413-L449 HydrophobicContact CB-CD2 4.45Å; L413-L449 PolarHBondContact N-O 2.89Å; L413-L449 WeakPolarHBondContact O-CD2 3.24Å; A415-L449 HydrophobicContact CB-CD1 4.11Å; A415-L449 HydrophobicContact CB-CD2 3.94Å; L449-P451 VanDerWaalsContact C-CD 3.5Å |
| 450 | N | 93.3 | Very high | 96.2 | Very high | 81 Ų | 81 | 61.6 Ų | 61.6 | 43% | 0.433 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -136.4 | 57.6 | -179 | -61.1 | -91.5 | 0 | 0 | 0 | 111 | C410 R411 N412 T448 | C410-N450 CarbonylContact O-C 3.53Å; C410-N450 WeakPolarHBondContact O-CA 3.44Å; R411-N450 VanDerWaalsContact CA-OD1 3.26Å; R411-N450 WeakPolarHBondContact CA-OD1 3.37Å; R411-N450 WeakPolarHBondContact CB-OD1 3.23Å; N412-N450 PolarHBondContact N-OD1 2.75Å; N412-N450 VanDerWaalsContact N-OD1 3.16Å; T448-N450 VanDerWaalsContact C-N 3.28Å; T448-N450 PolarHBondContact OG1-N 2.88Å; T448-N450 VanDerWaalsContact OG1-N 3.1Å |
| 451 | P | 96.9 | Very high | 96.1 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.013 | 30% | 0.304 | C | S | . | . | trans | -67.4 | 139.9 | -177.5 | 29.6 | -37.8 | 0 | 0 | 0 | 112.3 | K409 C410 L413 P424 K445 T448 L449 Y453 | K409-P451 CarbonylContact C-O 3.48Å; K409-P451 WeakPolarHBondContact CA-O 3.08Å; K409-P451 VanDerWaalsContact CB-O 3.3Å; K409-P451 WeakPolarHBondContact CB-O 3.35Å; C410-P451 HydrophobicContact CB-CG 3.85Å; C410-P451 PolarHBondContact N-O 3.08Å; L413-P451 HydrophobicContact CD1-CG 3.79Å; P424-P451 HydrophobicContact CB-CG 4.33Å; P424-P451 HydrophobicContact CG-CB 3.92Å; P424-P451 HydrophobicContact CG-CG 3.68Å; K445-P451 HydrophobicContact CB-CB 3.94Å; K445-P451 HydrophobicContact CG-CB 3.74Å; T448-P451 HydrophobicContact CG2-CB 4.02Å; L449-P451 VanDerWaalsContact C-CD 3.5Å; P451-Y453 HydrophobicContact CB-CD2 4.43Å; P451-Y453 HydrophobicContact CB-CE1 4.39Å; P451-Y453 HydrophobicContact CB-CE2 3.7Å; P451-Y453 HydrophobicContact CG-CE2 3.63Å; P451-Y453 WeakPolarHBondContact CG-OH 3.35Å | ||
| 452 | V | 97.9 | Very high | 96 | Very high | 79 Ų | 79 | 51.7 Ų | 51.7 | 48% | 0.479 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 122.4 | 169.2 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | K409 K445 | K409-V452 HydrophobicContact CB-CB 4.31Å; K409-V452 HydrophobicContact CB-CG1 4.43Å; K409-V452 HydrophobicContact CB-CG2 3.96Å; K445-V452 WeakPolarHBondContact CE-O 3.39Å |
| 453 | Y | 98.1 | Very high | 95.7 | Very high | 13 Ų | 13 | 54.5 Ų | 54.5 | 5% | 0.051 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | -58.6 | -176.3 | -57.8 | -87.9 | 0 | 0 | 0 | 111.5 | V407 I408 P424 V426 T442 T443 K445 P451 E455 | V407-Y453 HydrophobicContact CG1-CD2 3.5Å; V407-Y453 VanDerWaalsContact CG1-CD2 3.5Å; V407-Y453 HydrophobicContact CG1-CE2 4.12Å; V407-Y453 HydrophobicContact CG1-CG 3.85Å; I408-Y453 PolarHBondContact O-N 2.94Å; P424-Y453 PolarHBondContact O-OH 3.46Å; V426-Y453 HydrophobicContact CG2-CE2 3.84Å; T442-Y453 HydrophobicContact CG2-CD1 4.11Å; T442-Y453 HydrophobicContact CG2-CG 4.42Å; T442-Y453 WeakPolarHBondContact OG1-CE1 3.33Å; T443-Y453 WeakPolarHBondContact O-CE1 3.29Å; K445-Y453 HydrophobicContact CD-CD1 4.37Å; K445-Y453 HydrophobicContact CD-CE1 4.46Å; K445-Y453 HydrophobicContact CG-CD1 4.15Å; K445-Y453 HydrophobicContact CG-CE1 3.86Å; P451-Y453 HydrophobicContact CB-CD2 4.43Å; P451-Y453 HydrophobicContact CB-CE1 4.39Å; P451-Y453 HydrophobicContact CB-CE2 3.7Å; P451-Y453 HydrophobicContact CG-CE2 3.63Å; P451-Y453 WeakPolarHBondContact CG-OH 3.35Å; Y453-E455 VanDerWaalsContact C-N 3.28Å |
| 454 | N | 97.6 | Very high | 95.5 | Very high | 109 Ų | 109 | 57.4 Ų | 57.4 | 58% | 0.583 | 32% | 0.317 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 55.2 | 38.7 | -167.7 | -54.5 | -41.2 | 0 | 0 | 0 | 113.2 | V407 I408 | V407-N454 CarbonylContact O-C 3.59Å; V407-N454 VanDerWaalsContact O-CA 3.28Å; V407-N454 WeakPolarHBondContact O-CA 3.46Å; V407-N454 PolarHBondContact O-N 3.3Å; I408-N454 WeakPolarHBondContact CG2-OD1 3.36Å; I408-N454 PolarHBondContact O-N 3.43Å; I408-N454 VanDerWaalsContact O-N 3.1Å |
| 455 | E | 98.3 | Very high | 95.2 | Very high | 41 Ų | 41 | 58.1 Ų | 58.1 | 19% | 0.192 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 123.5 | -171.5 | -71.5 | 174.2 | -130.4 | 0 | 0 | 111.6 | T406 V407 T442 T443 K445 Y453 | T406-E455 WeakPolarHBondContact CA-O 3.22Å; V407-E455 PolarHBondContact N-O 2.96Å; V407-E455 PolarHBondContact O-N 2.75Å; T442-E455 WeakPolarHBondContact CA-OE2 3.07Å; T442-E455 WeakPolarHBondContact CB-OE2 3.32Å; T442-E455 HydrophobicContact CG2-CB 4.12Å; T443-E455 PolarHBondContact N-OE2 3.38Å; T443-E455 PolarHBondContact OG1-OE1 3.4Å; K445-E455 IonicContact NZ-OE1 3.79Å; K445-E455 PolarHBondContact NZ-OE1 3.39Å; Y453-E455 VanDerWaalsContact C-N 3.28Å |
| 456 | A | 97.9 | Very high | 94.9 | Very high | 67 Ų | 67 | 56.1 Ų | 56.1 | 55% | 0.554 | 31% | 0.311 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 123 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T404 | T404-A456 HydrophobicContact CG2-CB 4.18Å |
| 457 | I | 97.8 | Very high | 94.7 | Very high | 10 Ų | 10 | 57.4 Ų | 57.4 | 5% | 0.051 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 119.4 | 175 | -63.7 | 179.2 | 0 | 0 | 0 | 108.1 | L405 V407 V428 R440 T442 F459 | L405-I457 PolarHBondContact N-O 3.01Å; L405-I457 PolarHBondContact O-N 2.94Å; V407-I457 HydrophobicContact CG2-CD1 4.11Å; V428-I457 HydrophobicContact CB-CD1 4.23Å; V428-I457 HydrophobicContact CG2-CD1 3.71Å; R440-I457 HydrophobicContact CB-CD1 4.38Å; R440-I457 HydrophobicContact CB-CG2 3.51Å; R440-I457 HydrophobicContact CG-CG2 3.75Å; T442-I457 HydrophobicContact CG2-CD1 4.28Å; I457-F459 HydrophobicContact CG2-CD2 4.22Å; I457-F459 HydrophobicContact CG2-CE2 3.52Å; I457-F459 HydrophobicContact CG2-CZ 3.73Å |
| 458 | I | 97.3 | Very high | 94.7 | Very high | 79 Ų | 79 | 58.6 Ų | 58.6 | 41% | 0.405 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 134.7 | -176.3 | -59 | 175.5 | 0 | 0 | 0 | 110.3 | R402 M403 T404 | R402-I458 HydrophobicContact CG-CG2 3.69Å; M403-I458 WeakPolarHBondContact O-CA 3.42Å; T404-I458 HydrophobicContact CG2-CG1 4.23Å |
| 459 | F | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 128.4 | 170.9 | -61.5 | -78.1 | 0 | 0 | 0 | 110.4 | M403 V428 L430 K438 R440 I457 I461 L471 | M403-F459 HydrophobicContact CB-CB 4.37Å; M403-F459 WeakPolarHBondContact CB-O 3.36Å; M403-F459 PolarHBondContact N-O 3.2Å; M403-F459 PolarHBondContact O-N 2.91Å; V428-F459 HydrophobicContact CB-CZ 4.28Å; V428-F459 HydrophobicContact CG1-CE2 3.78Å; V428-F459 HydrophobicContact CG1-CZ 3.84Å; L430-F459 HydrophobicContact CB-CD1 3.92Å; L430-F459 HydrophobicContact CB-CE1 3.92Å; L430-F459 HydrophobicContact CB-CG 4.42Å; L430-F459 HydrophobicContact CB-CZ 4.41Å; L430-F459 HydrophobicContact CD2-CB 4.4Å; L430-F459 HydrophobicContact CD2-CD1 4.29Å; K438-F459 HydrophobicContact CB-CD1 3.88Å; K438-F459 HydrophobicContact CB-CE1 3.84Å; K438-F459 HydrophobicContact CD-CD1 4.09Å; R440-F459 HydrophobicContact CB-CE1 4.47Å; R440-F459 HydrophobicContact CB-CZ 4.21Å; R440-F459 HydrophobicContact CG-CE1 3.76Å; R440-F459 HydrophobicContact CG-CZ 3.95Å; I457-F459 HydrophobicContact CG2-CD2 4.22Å; I457-F459 HydrophobicContact CG2-CE2 3.52Å; I457-F459 HydrophobicContact CG2-CZ 3.73Å; F459-I461 HydrophobicContact CB-CD1 4.13Å; F459-I461 HydrophobicContact CB-CG1 4.04Å; F459-I461 PolarHBondContact O-N 3.24Å; F459-L471 HydrophobicContact CD2-CD2 4.03Å; F459-L471 HydrophobicContact CE2-CD2 3.9Å |
| 460 | D | 95.9 | Very high | 95.1 | Very high | 83 Ų | 83 | 55.2 Ų | 55.2 | 44% | 0.444 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 118.7 | 168 | -20.9 | -89.3 | 0 | 0 | 0 | 108 | G401 K438 | G401-D460 CarbonylContact O-C 3.51Å; G401-D460 WeakPolarHBondContact O-CA 3.47Å; K438-D460 PolarHBondContact NZ-O 2.99Å; K438-D460 IonicContact NZ-OD2 3.57Å; K438-D460 PolarHBondContact NZ-OD2 2.62Å |
| 461 | I | 94.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | trans | -139.4 | 101.8 | -175.6 | -55.2 | -179 | 0 | 0 | 0 | 107 | Y396 G401 M403 L430 F459 V466 V469 | Y396-I461 HydrophobicContact CE2-CB 4.43Å; Y396-I461 WeakPolarHBondContact CE2-O 3.24Å; Y396-I461 PolarHBondContact OH-O 3.4Å; G401-I461 CarbonylContact C-O 3.58Å; G401-I461 VanDerWaalsContact CA-O 3.24Å; G401-I461 WeakPolarHBondContact CA-O 3.33Å; G401-I461 CarbonylContact O-C 3.44Å; G401-I461 PolarHBondContact O-N 2.05Å; G401-I461 VanDerWaalsContact O-O 3.07Å; M403-I461 HydrophobicContact CB-CD1 3.63Å; M403-I461 HydrophobicContact CB-CG1 4.17Å; M403-I461 HydrophobicContact CE-CD1 4.43Å; M403-I461 HydrophobicContact CG-CD1 4.07Å; L430-I461 HydrophobicContact CD1-CD1 3.59Å; L430-I461 HydrophobicContact CD1-CG1 4.23Å; L430-I461 HydrophobicContact CD2-CD1 4.39Å; L430-I461 HydrophobicContact CD2-CG1 4.15Å; F459-I461 HydrophobicContact CB-CD1 4.13Å; F459-I461 HydrophobicContact CB-CG1 4.04Å; F459-I461 PolarHBondContact O-N 3.24Å; I461-V466 HydrophobicContact CG2-CG2 3.89Å; I461-V469 HydrophobicContact CD1-CG2 4.16Å; I461-V469 HydrophobicContact CG2-CG2 3.8Å | ||
| 462 | P | 94.5 | Very high | 95.1 | Very high | 49 Ų | 49 | 51.4 Ų | 51.4 | 32% | 0.318 | 28% | 0.278 | S | S | . | . | trans | -59.1 | 146.7 | 174.5 | -23.4 | 33.9 | 0 | 0 | 0 | 112 | E464 N465 | P462-E464 VanDerWaalsContact C-N 3.27Å; P462-E464 HydrophobicContact CB-CG 4.14Å; P462-E464 WeakPolarHBondContact CB-OE1 3.36Å; P462-E464 PolarHBondContact O-N 2.86Å; P462-N465 PolarHBondContact O-N 3.1Å | ||
| 463 | P | 93.1 | Very high | 95 | Very high | 63 Ų | 63 | 47.6 Ų | 47.6 | 41% | 0.409 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -50.6 | -43.7 | -177.5 | -29.4 | 36.3 | 0 | 0 | 0 | 114.1 | Y396 P398 N465 V466 | Y396-P463 WeakPolarHBondContact OH-CA 3.38Å; P398-P463 HydrophobicContact CB-CG 4.44Å; P398-P463 WeakPolarHBondContact O-CG 3.47Å; P463-N465 PolarHBondContact O-N 2.67Å; P463-N465 VanDerWaalsContact O-N 3.11Å; P463-V466 WeakPolarHBondContact O-CB 3.49Å; P463-V466 WeakPolarHBondContact O-CG2 3.42Å; P463-V466 PolarHBondContact O-N 3.45Å; P463-V466 VanDerWaalsContact O-N 3.1Å |
| 464 | E | 92.4 | Very high | 94.9 | Very high | 136 Ų | 136 | 47.2 Ų | 47.2 | 64% | 0.636 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -60.3 | -18.1 | 178.3 | 59 | -87.5 | -162 | 0 | 0 | 114.7 | P462 | P462-E464 VanDerWaalsContact C-N 3.27Å; P462-E464 HydrophobicContact CB-CG 4.14Å; P462-E464 WeakPolarHBondContact CB-OE1 3.36Å; P462-E464 PolarHBondContact O-N 2.86Å |
| 465 | N | 92.1 | Very high | 94.9 | Very high | 61 Ų | 61 | 42 Ų | 42 | 33% | 0.326 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -101.8 | -8.8 | 178.6 | -67.7 | -42.2 | 0 | 0 | 0 | 113.5 | P462 P463 E467 Q468 V469 | P462-N465 PolarHBondContact O-N 3.1Å; P463-N465 PolarHBondContact O-N 2.67Å; P463-N465 VanDerWaalsContact O-N 3.11Å; N465-E467 PolarHBondContact O-N 3.13Å; N465-Q468 PolarHBondContact O-N 3.07Å; N465-V469 WeakPolarHBondContact O-CG1 3.04Å; N465-V469 WeakPolarHBondContact O-CG2 3.16Å; N465-V469 PolarHBondContact O-N 3.05Å |
| 466 | V | 91.8 | Very high | 94.8 | Very high | 8 Ų | 8 | 40.2 Ų | 40.2 | 5% | 0.048 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -33 | -172.9 | 168.7 | 0 | 0 | 0 | 0 | 113 | Y396 I461 P463 Q468 W504 L508 | Y396-V466 HydrophobicContact CE1-CG2 3.74Å; Y396-V466 HydrophobicContact CE2-CG2 4.08Å; Y396-V466 VanDerWaalsContact CZ-CG2 3.48Å; Y396-V466 WeakPolarHBondContact OH-CG2 3.31Å; I461-V466 HydrophobicContact CG2-CG2 3.89Å; P463-V466 WeakPolarHBondContact O-CB 3.49Å; P463-V466 WeakPolarHBondContact O-CG2 3.42Å; P463-V466 PolarHBondContact O-N 3.45Å; P463-V466 VanDerWaalsContact O-N 3.1Å; V466-Q468 VanDerWaalsContact C-N 3.3Å; V466-Q468 PolarHBondContact O-N 3.36Å; V466-W504 HydrophobicContact CG1-CZ2 4.35Å; V466-L508 HydrophobicContact CG1-CD1 3.82Å; V466-L508 HydrophobicContact CG1-CD2 3.55Å; V466-L508 HydrophobicContact CG1-CG 4.33Å |
| 467 | E | 90.1 | Very high | 94.7 | Very high | 165 Ų | 165 | 37.1 Ų | 37.1 | 77% | 0.771 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81 | -8.3 | -179.4 | -60.3 | -176.7 | 172.2 | 0 | 0 | 113.6 | N465 | N465-E467 PolarHBondContact O-N 3.13Š|
| 468 | Q | 90.7 | Very high | 94.5 | Very high | 98 Ų | 98 | 41 Ų | 41 | 46% | 0.458 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111.1 | -5.5 | -177.8 | -57 | -173.3 | 31.8 | 0 | 0 | 113.6 | C432 N433 N465 V466 | C432-Q468 WeakPolarHBondContact CA-O 3.12Å; N433-Q468 PolarHBondContact N-O 2.87Å; N433-Q468 PolarHBondContact ND2-OE1 3.02Å; N465-Q468 PolarHBondContact O-N 3.07Å; V466-Q468 VanDerWaalsContact C-N 3.3Å; V466-Q468 PolarHBondContact O-N 3.36Å |
| 469 | V | 94.1 | Very high | 93.9 | Very high | 6 Ų | 6 | 39.1 Ų | 39.1 | 4% | 0.036 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 148.5 | -176.1 | -63.1 | 0 | 0 | 0 | 0 | 112.8 | L430 V431 C432 I461 N465 P494 W504 | L430-V469 HydrophobicContact CD1-CB 3.91Å; L430-V469 HydrophobicContact CD1-CG1 4.29Å; L430-V469 HydrophobicContact CD1-CG2 4.34Å; V431-V469 CarbonylContact O-C 3.56Å; V431-V469 WeakPolarHBondContact O-CA 3.37Å; V431-V469 WeakPolarHBondContact O-CB 3.16Å; C432-V469 HydrophobicContact CB-CG1 3.95Å; I461-V469 HydrophobicContact CD1-CG2 4.16Å; I461-V469 HydrophobicContact CG2-CG2 3.8Å; N465-V469 WeakPolarHBondContact O-CG1 3.04Å; N465-V469 WeakPolarHBondContact O-CG2 3.16Å; N465-V469 PolarHBondContact O-N 3.05Å; V469-P494 WeakPolarHBondContact O-CD 3.3Å; V469-W504 HydrophobicContact CG2-CH2 4.15Å; V469-W504 HydrophobicContact CG2-CZ2 4.02Å |
| 470 | S | 94.6 | Very high | 93.1 | Very high | 5 Ų | 5 | 47.4 Ų | 47.4 | 4% | 0.035 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 160 | 173.4 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | V431 D495 | V431-S470 PolarHBondContact N-O 2.99Å; V431-S470 PolarHBondContact O-N 2.94Å; S470-D495 WeakPolarHBondContact CB-OD1 3.24Å; S470-D495 PolarHBondContact OG-OD1 3.29Å; S470-D495 PolarHBondContact OG-OD2 3.38Å; S470-D495 VanDerWaalsContact OG-OD2 3.08Å |
| 471 | L | 95.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 116.6 | 178.9 | -61.6 | 180 | 0 | 0 | 0 | 109.1 | L394 L405 V428 Y429 L430 F459 I473 R491 A492 W504 | L394-L471 HydrophobicContact CD2-CD1 3.97Å; L405-L471 HydrophobicContact CB-CD1 4.46Å; L405-L471 HydrophobicContact CD1-CD1 3.74Å; V428-L471 HydrophobicContact CG1-CD2 4.44Å; Y429-L471 WeakPolarHBondContact O-CA 3.33Å; L430-L471 HydrophobicContact CB-CD2 4.37Å; L430-L471 HydrophobicContact CD1-CD2 3.8Å; F459-L471 HydrophobicContact CD2-CD2 4.03Å; F459-L471 HydrophobicContact CE2-CD2 3.9Å; L471-I473 HydrophobicContact CB-CG1 4.35Å; L471-R491 WeakPolarHBondContact O-CA 3.19Å; L471-A492 PolarHBondContact N-O 3.27Å; L471-A492 PolarHBondContact O-N 3.27Å; L471-W504 HydrophobicContact CD1-CZ3 3.93Å; L471-W504 HydrophobicContact CG-CZ3 3.96Å |
| 472 | S | 94.9 | Very high | 91.2 | Very high | 3 Ų | 3 | 52.6 Ų | 52.6 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 118.5 | 166.9 | 169.3 | 0 | 0 | 0 | 0 | 108.4 | V428 Y429 M474 | V428-S472 WeakPolarHBondContact CA-O 3.17Å; Y429-S472 PolarHBondContact N-O 2.98Å; Y429-S472 PolarHBondContact O-N 3.42Å; S472-M474 WeakPolarHBondContact OG-CE 3.26Å |
| 473 | I | 96.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 108.8 | -172 | -58.2 | 161.8 | 0 | 0 | 0 | 107.1 | I390 Y392 L405 V426 V428 L471 V489 C490 | I390-I473 HydrophobicContact CD1-CG2 3.92Å; Y392-I473 HydrophobicContact CD1-CD1 4.27Å; Y392-I473 HydrophobicContact CD2-CD1 4.3Å; Y392-I473 HydrophobicContact CE1-CD1 3.78Å; Y392-I473 HydrophobicContact CE2-CD1 3.82Å; L405-I473 HydrophobicContact CD1-CD1 3.67Å; L405-I473 HydrophobicContact CD1-CG1 4.02Å; V426-I473 HydrophobicContact CG1-CG2 3.87Å; V428-I473 HydrophobicContact CG1-CG1 4.22Å; V428-I473 HydrophobicContact CG2-CG1 4.4Å; V428-I473 HydrophobicContact CG2-CG2 4.37Å; L471-I473 HydrophobicContact CB-CG1 4.35Å; I473-V489 WeakPolarHBondContact O-CA 3.34Å; I473-C490 PolarHBondContact N-O 2.96Å; I473-C490 PolarHBondContact O-N 3.49Å |
| 474 | M | 96.4 | Very high | 90.2 | Very high | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.025 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 131.4 | 179.5 | -55.2 | 163 | -163.4 | 0 | 0 | 109.8 | V426 K427 Y429 S472 M476 V489 | V426-M474 CarbonylContact C-O 3.55Å; V426-M474 WeakPolarHBondContact CA-O 3.32Å; K427-M474 HydrophobicContact CB-CB 4.42Å; K427-M474 HydrophobicContact CD-SD 4.1Å; K427-M474 PolarHBondContact N-O 3.07Å; K427-M474 PolarHBondContact O-N 3.24Å; Y429-M474 HydrophobicContact CD2-CE 3.71Å; Y429-M474 HydrophobicContact CD2-SD 4.31Å; Y429-M474 HydrophobicContact CE2-CE 3.69Å; Y429-M474 HydrophobicContact CE2-SD 3.96Å; S472-M474 WeakPolarHBondContact OG-CE 3.26Å; M474-M476 HydrophobicContact CB-CG 4.44Å; M474-M476 HydrophobicContact CB-SD 3.82Å; M474-M476 HydrophobicContact SD-SD 4.3Å; M474-V489 HydrophobicContact CG-CG1 4.11Å; M474-V489 HydrophobicContact CG-CG2 4.09Å |
| 475 | V | 97.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 129.1 | 161.7 | -171.4 | 0 | 0 | 0 | 0 | 107.4 | I390 L413 P424 V426 I487 G488 L521 | I390-V475 HydrophobicContact CD1-CG2 4.13Å; L413-V475 HydrophobicContact CD1-CG1 3.94Å; L413-V475 HydrophobicContact CD2-CG1 4.04Å; P424-V475 HydrophobicContact CB-CG1 4.42Å; V426-V475 HydrophobicContact CG2-CG2 4.29Å; V475-I487 HydrophobicContact CB-CB 4.32Å; V475-I487 HydrophobicContact CG1-CB 4.17Å; V475-I487 HydrophobicContact CG1-CD1 4.22Å; V475-I487 HydrophobicContact CG1-CG2 4.42Å; V475-I487 PolarHBondContact O-N 2.96Å; V475-G488 PolarHBondContact N-O 2.99Å; V475-G488 PolarHBondContact O-N 3.08Å; V475-L521 HydrophobicContact CB-CD1 4.02Å; V475-L521 HydrophobicContact CG2-CD1 3.59Å; V475-L521 HydrophobicContact CG2-CD2 3.71Å; V475-L521 HydrophobicContact CG2-CG 4.32Å |
| 476 | M | 95.9 | Very high | 89.8 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.015 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 147.7 | -173.9 | -52.5 | -71.1 | -36 | 0 | 0 | 109.1 | P424 Y425 K427 M474 N484 E485 V486 | P424-M476 CarbonylContact C-O 3.46Å; P424-M476 WeakPolarHBondContact CA-O 3.28Å; Y425-M476 HydrophobicContact CD1-CB 3.91Å; Y425-M476 HydrophobicContact CD2-CB 4.28Å; Y425-M476 HydrophobicContact CD2-CG 4.36Å; Y425-M476 HydrophobicContact CE1-CB 3.44Å; Y425-M476 VanDerWaalsContact CE1-CB 3.44Å; Y425-M476 HydrophobicContact CE1-CG 4.26Å; Y425-M476 HydrophobicContact CE2-CB 3.84Å; Y425-M476 HydrophobicContact CE2-CG 3.75Å; Y425-M476 HydrophobicContact CG-CB 4.29Å; Y425-M476 PolarHBondContact N-O 3.1Å; Y425-M476 PolarHBondContact O-N 3.32Å; K427-M476 HydrophobicContact CB-CG 3.83Å; K427-M476 HydrophobicContact CB-SD 4.43Å; K427-M476 HydrophobicContact CD-CG 4.28Å; K427-M476 HydrophobicContact CD-SD 4.02Å; K427-M476 VanDerWaalsContact CE-SD 3.59Å; K427-M476 PolarHBondContact NZ-SD 3.44Å; M474-M476 HydrophobicContact CB-CG 4.44Å; M474-M476 HydrophobicContact CB-SD 3.82Å; M474-M476 HydrophobicContact SD-SD 4.3Å; M476-N484 VanDerWaalsContact CE-O 3.29Å; M476-N484 WeakPolarHBondContact CE-O 3.23Å; M476-E485 CarbonylContact C-O 3.54Å; M476-E485 WeakPolarHBondContact CA-O 3.35Å; M476-E485 WeakPolarHBondContact CE-O 3.26Å; M476-V486 HydrophobicContact CE-CB 4.27Å; M476-V486 HydrophobicContact CE-CG2 3.5Å; M476-V486 VanDerWaalsContact CE-CG2 3.5Å; M476-V486 HydrophobicContact SD-CG2 3.84Å |
| 477 | D | 94.6 | Very high | 89.8 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | trans | -84.9 | 162.1 | 160.7 | -144.2 | -28.7 | 0 | 0 | 0 | 111.1 | M416 S422 D423 Y425 N484 E485 I487 | M416-D477 HydrophobicContact CB-CB 4.44Å; M416-D477 WeakPolarHBondContact CB-OD2 3.45Å; M416-D477 HydrophobicContact CG-CB 4.3Å; S422-D477 VanDerWaalsContact CA-OD2 3.29Å; S422-D477 WeakPolarHBondContact CA-OD2 3.27Å; S422-D477 WeakPolarHBondContact CB-OD2 3.35Å; S422-D477 PolarHBondContact OG-OD2 2.89Å; D423-D477 WeakPolarHBondContact CA-OD1 3.37Å; D423-D477 PolarHBondContact N-OD1 3.49Å; Y425-D477 WeakPolarHBondContact CE1-O 3.44Å; D477-N484 VanDerWaalsContact O-CB 3.31Å; D477-N484 WeakPolarHBondContact O-CB 3.39Å; D477-E485 PolarHBondContact N-O 3.46Å; D477-I487 HydrophobicContact CB-CD1 4Å; D477-I487 HydrophobicContact CB-CG1 4.11Å | ||
| 478 | Y | 93.7 | Very high | 89.8 | Confident | 91 Ų | 91 | 47.9 Ų | 47.9 | 36% | 0.357 | 25% | 0.245 | S | C | . | . | trans | -123.5 | 94.6 | 176.6 | 172.7 | -112 | 0 | 0 | 0 | 112.3 | D423 T444 R480 | D423-Y478 HydrophobicContact CB-CD1 4.44Å; D423-Y478 VanDerWaalsContact O-CB 3.31Å; D423-Y478 WeakPolarHBondContact O-CB 3.29Å; D423-Y478 PolarHBondContact O-N 3.19Å; T444-Y478 HydrophobicContact CG2-CD1 4.12Å; T444-Y478 HydrophobicContact CG2-CG 4.18Å; Y478-R480 HydrophobicContact CE1-CG 4.19Å | ||
| 479 | D | 86.1 | Confident | 89.9 | Confident | 41 Ų | 41 | 44 Ų | 44 | 22% | 0.219 | 23% | 0.228 | C | C | . | . | trans | -71.1 | 131.8 | 172.2 | -57.4 | -86.6 | 0 | 0 | 0 | 112.1 | V481 N484 E485 | D479-V481 VanDerWaalsContact C-N 3.32Å; D479-N484 VanDerWaalsContact OD2-CA 3.24Å; D479-N484 WeakPolarHBondContact OD2-CA 3.47Å; D479-N484 PolarHBondContact OD2-N 3.12Å; D479-E485 PolarHBondContact OD2-N 2.91Å | ||
| 480 | R | 79.3 | Confident | 89.8 | Confident | 173 Ų | 173 | 44.2 Ų | 44.2 | 65% | 0.653 | 23% | 0.23 | S | C | * | . | S | Bend | trans | -76.6 | -23.7 | 170.3 | -58.4 | -175.7 | -164.3 | 169.1 | 11.7 | 112.5 | D423 Y478 | D423-R480 IonicContact OD2-NE 3.35Å; D423-R480 IonicContact OD2-NH2 2.64Å; Y478-R480 HydrophobicContact CE1-CG 4.19Å |
| 481 | V | 76.1 | Confident | 89.6 | Confident | 141 Ų | 141 | 47.8 Ų | 47.8 | 86% | 0.855 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -144.9 | 93.9 | -177.6 | -177 | 0 | 0 | 0 | 0 | 107.4 | D479 | D479-V481 VanDerWaalsContact C-N 3.32Š|
| 482 | G | 76.2 | Confident | 89.6 | Confident | 56 Ų | 56 | 47.8 Ų | 47.8 | 58% | 0.577 | 24% | 0.242 | S | C | * | . | S | Bend | trans | 148.4 | -156.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 483 | H | 78.4 | Confident | 89.5 | Confident | 176 Ų | 176 | 47.7 Ų | 47.7 | 82% | 0.815 | 24% | 0.241 | S | C | * | . | trans | -120.1 | 114.6 | 175.2 | -69.3 | -73.8 | 0 | 0 | 0 | 110.1 | E485 | H483-E485 PolarHBondContact O-N 2.83Š| ||
| 484 | N | 87.1 | Confident | 89.1 | Confident | 63 Ų | 63 | 49.9 Ų | 49.9 | 34% | 0.337 | 26% | 0.256 | S | S | . | . | trans | -37.5 | 101.9 | 177.7 | -61.3 | 14.6 | 0 | 0 | 0 | 114.3 | Y425 M476 D477 D479 | Y425-N484 HydrophobicContact CE1-CB 4.48Å; Y425-N484 PolarHBondContact OH-ND2 3.49Å; Y425-N484 VanDerWaalsContact OH-ND2 3.11Å; M476-N484 VanDerWaalsContact CE-O 3.29Å; M476-N484 WeakPolarHBondContact CE-O 3.23Å; D477-N484 VanDerWaalsContact O-CB 3.31Å; D477-N484 WeakPolarHBondContact O-CB 3.39Å; D479-N484 VanDerWaalsContact OD2-CA 3.24Å; D479-N484 WeakPolarHBondContact OD2-CA 3.47Å; D479-N484 PolarHBondContact OD2-N 3.12Å | ||
| 485 | E | 86.9 | Confident | 88.4 | Confident | 98 Ų | 98 | 54.1 Ų | 54.1 | 46% | 0.458 | 28% | 0.279 | S | S | . | . | trans | -73.8 | 153.2 | -176.4 | -59.7 | -161.6 | 127.9 | 0 | 0 | 113.6 | M416 M476 D477 D479 H483 | M416-E485 HydrophobicContact CE-CB 4.15Å; M416-E485 WeakPolarHBondContact CE-OE2 3.48Å; M476-E485 CarbonylContact C-O 3.54Å; M476-E485 WeakPolarHBondContact CA-O 3.35Å; M476-E485 WeakPolarHBondContact CE-O 3.26Å; D477-E485 PolarHBondContact N-O 3.46Å; D479-E485 PolarHBondContact OD2-N 2.91Å; H483-E485 PolarHBondContact O-N 2.83Å | ||
| 486 | V | 90.1 | Very high | 87.7 | Confident | 43 Ų | 43 | 54.6 Ų | 54.6 | 26% | 0.261 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 120.5 | 174.7 | 179.5 | 0 | 0 | 0 | 0 | 109.1 | M476 V489 E524 | M476-V486 HydrophobicContact CE-CB 4.27Å; M476-V486 HydrophobicContact CE-CG2 3.5Å; M476-V486 VanDerWaalsContact CE-CG2 3.5Å; M476-V486 HydrophobicContact SD-CG2 3.84Å; V486-V489 HydrophobicContact CG1-CG2 3.92Å; V486-E524 HydrophobicContact CG1-CB 4.39Å |
| 487 | I | 90.1 | Very high | 86.8 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | -42.1 | 172.8 | -65 | 174 | 0 | 0 | 0 | 109.5 | L387 L413 K414 M416 P424 V475 D477 | L387-I487 WeakPolarHBondContact CB-O 3.48Å; L387-I487 WeakPolarHBondContact CD1-O 3.45Å; L387-I487 WeakPolarHBondContact CD2-O 3.47Å; L413-I487 HydrophobicContact CB-CG2 4.29Å; L413-I487 HydrophobicContact CD2-CG2 4.21Å; K414-I487 HydrophobicContact CB-CG2 4.31Å; M416-I487 HydrophobicContact CG-CG1 3.9Å; P424-I487 HydrophobicContact CB-CD1 4.14Å; V475-I487 HydrophobicContact CB-CB 4.32Å; V475-I487 HydrophobicContact CG1-CB 4.17Å; V475-I487 HydrophobicContact CG1-CD1 4.22Å; V475-I487 HydrophobicContact CG1-CG2 4.42Å; V475-I487 PolarHBondContact O-N 2.96Å; D477-I487 HydrophobicContact CB-CD1 4Å; D477-I487 HydrophobicContact CB-CG1 4.11Å |
| 488 | G | 90.9 | Very high | 86.3 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.01 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 172.1 | 172.5 | 174 | 0 | 0 | 0 | 0 | 0 | 113.6 | V475 G522 | V475-G488 PolarHBondContact N-O 2.99Å; V475-G488 PolarHBondContact O-N 3.08Å; G488-G522 CarbonylContact C-O 3.52Å; G488-G522 WeakPolarHBondContact CA-O 3.29Å |
| 489 | V | 92.1 | Very high | 85.8 | Confident | 15 Ų | 15 | 62.4 Ų | 62.4 | 9% | 0.091 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 142.2 | -167.9 | -167.7 | 0 | 0 | 0 | 0 | 111.1 | I473 M474 V486 G522 E524 | I473-V489 WeakPolarHBondContact O-CA 3.34Å; M474-V489 HydrophobicContact CG-CG1 4.11Å; M474-V489 HydrophobicContact CG-CG2 4.09Å; V486-V489 HydrophobicContact CG1-CG2 3.92Å; V489-G522 PolarHBondContact N-O 3.39Å; V489-G522 PolarHBondContact O-N 2.96Å; V489-E524 HydrophobicContact CG2-CB 3.85Å; V489-E524 HydrophobicContact CG2-CG 4.28Å |
| 490 | C | 91.9 | Very high | 85.8 | Confident | 12 Ų | 12 | 60.6 Ų | 60.6 | 8% | 0.081 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 168.1 | 161.1 | 67.4 | 0 | 0 | 0 | 0 | 111.2 | I390 I473 H519 L521 | I390-C490 VanDerWaalsContact CG2-SG 3.6Å; I473-C490 PolarHBondContact N-O 2.96Å; I473-C490 PolarHBondContact O-N 3.49Å; C490-H519 HydrophobicContact CB-CB 4.2Å; C490-L521 HydrophobicContact CB-CD2 4.46Å |
| 491 | R | 91.9 | Very high | 86.3 | Confident | 80 Ų | 80 | 58.6 Ų | 58.6 | 30% | 0.302 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 147.3 | -177.4 | -71.3 | -176.5 | 166 | -162.3 | -11.2 | 111.7 | L471 A496 G500 D528 | L471-R491 WeakPolarHBondContact O-CA 3.19Å; R491-A496 HydrophobicContact CB-CB 4.27Å; R491-G500 WeakPolarHBondContact O-CA 3.34Å; R491-D528 VanDerWaalsContact CZ-CG 3.41Å; R491-D528 IonicContact CZ-OD1 3.2Å; R491-D528 IonicContact CZ-OD2 2.73Å; R491-D528 IonicContact NE-OD2 2.68Å; R491-D528 IonicContact NH1-OD1 3.75Å; R491-D528 PolarHBondContact NH1-OD1 2.88Å; R491-D528 IonicContact NH1-OD2 2.68Å; R491-D528 IonicContact NH2-OD1 3.52Å; R491-D528 PolarHBondContact NH2-OD1 3.45Å; R491-D528 IonicContact NH2-OD2 2.73Å; R491-D528 PolarHBondContact NH2-OD2 3.47Å |
| 492 | A | 93.9 | Very high | 87 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 128.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L394 L471 G500 W504 | L394-A492 HydrophobicContact CD1-CB 4.1Å; L471-A492 PolarHBondContact N-O 3.27Å; L471-A492 PolarHBondContact O-N 3.27Å; A492-G500 VanDerWaalsContact CA-O 3.28Å; A492-G500 WeakPolarHBondContact CA-O 3.38Å; A492-W504 HydrophobicContact CB-CE3 4.31Å |
| 493 | G | 93.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | S | Bend | trans | 163.4 | 175.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D495 A496 | G493-D495 PolarHBondContact O-N 3.27Å; G493-A496 WeakPolarHBondContact O-CB 3.42Å; G493-A496 PolarHBondContact O-N 3.45Å |
| 494 | P | 88.7 | Confident | 88.7 | Confident | 46 Ų | 46 | 45.1 Ų | 45.1 | 30% | 0.299 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -27.9 | 177.7 | -20.9 | 34.4 | 0 | 0 | 0 | 113.5 | V469 | V469-P494 WeakPolarHBondContact O-CD 3.3Š|
| 495 | D | 82.9 | Confident | 89.1 | Confident | 95 Ų | 95 | 45.6 Ų | 45.6 | 51% | 0.508 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -0.9 | 179.5 | 63.3 | -14.9 | 0 | 0 | 0 | 113.8 | S470 G493 | S470-D495 WeakPolarHBondContact CB-OD1 3.24Å; S470-D495 PolarHBondContact OG-OD1 3.29Å; S470-D495 PolarHBondContact OG-OD2 3.38Å; S470-D495 VanDerWaalsContact OG-OD2 3.08Å; G493-D495 PolarHBondContact O-N 3.27Å |
| 496 | A | 82 | Confident | 89.5 | Confident | 9 Ų | 9 | 43.8 Ų | 43.8 | 7% | 0.074 | 24% | 0.238 | C | C | . | . | trans | -75.5 | 162.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | R491 G493 R501 | R491-A496 HydrophobicContact CB-CB 4.27Å; G493-A496 WeakPolarHBondContact O-CB 3.42Å; G493-A496 PolarHBondContact O-N 3.45Å; A496-R501 HydrophobicContact CB-CB 4.21Å; A496-R501 WeakPolarHBondContact O-CB 3.32Å; A496-R501 WeakPolarHBondContact O-CD 3.32Å | ||
| 497 | V | 76.8 | Confident | 89.8 | Confident | 140 Ų | 140 | 41.8 Ų | 41.8 | 85% | 0.848 | 23% | 0.225 | S | C | * | . | trans | -106.5 | 143.9 | 176.3 | -177.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 498 | G | 83.4 | Confident | 90.1 | Very high | 41 Ų | 41 | 44.6 Ų | 44.6 | 42% | 0.423 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | -136.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | G500 R501 D502 | G498-G500 PolarHBondContact O-N 2.97Å; G498-R501 WeakPolarHBondContact O-CB 3.49Å; G498-R501 PolarHBondContact O-N 3.42Å; G498-D502 PolarHBondContact O-N 3.33Å |
| 499 | L | 84.4 | Confident | 90.3 | Very high | 78 Ų | 78 | 47.8 Ų | 47.8 | 41% | 0.408 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -54.1 | -27.5 | -172.1 | -172.5 | 60.4 | 0 | 0 | 0 | 114.4 | R501 D502 H503 W518 H519 | L499-R501 VanDerWaalsContact C-N 3.31Å; L499-R501 PolarHBondContact O-N 2.98Å; L499-D502 PolarHBondContact O-N 3.33Å; L499-H503 VanDerWaalsContact O-CB 3.29Å; L499-H503 WeakPolarHBondContact O-CB 3.2Å; L499-H503 PolarHBondContact O-N 2.95Å; L499-W518 WeakPolarHBondContact CD2-O 3.32Å; L499-H519 PolarHBondContact O-NE2 2.78Å |
| 500 | G | 85.8 | Confident | 90.5 | Very high | 3 Ų | 3 | 53 Ų | 53 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.9 | -38.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | R491 A492 G498 H519 | R491-G500 WeakPolarHBondContact O-CA 3.34Å; A492-G500 VanDerWaalsContact CA-O 3.28Å; A492-G500 WeakPolarHBondContact CA-O 3.38Å; G498-G500 PolarHBondContact O-N 2.97Å; G500-H519 WeakPolarHBondContact CA-NE2 3.39Å; G500-H519 PolarHBondContact N-NE2 3.39Å |
| 501 | R | 89.6 | Confident | 90.5 | Very high | 131 Ų | 131 | 55 Ų | 55 | 49% | 0.494 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -81 | -37.8 | 175.9 | -175.7 | 173.8 | 173.1 | -158.3 | -2.1 | 111.3 | A496 G498 L499 W504 N505 | A496-R501 HydrophobicContact CB-CB 4.21Å; A496-R501 WeakPolarHBondContact O-CB 3.32Å; A496-R501 WeakPolarHBondContact O-CD 3.32Å; G498-R501 WeakPolarHBondContact O-CB 3.49Å; G498-R501 PolarHBondContact O-N 3.42Å; L499-R501 VanDerWaalsContact C-N 3.31Å; L499-R501 PolarHBondContact O-N 2.98Å; R501-W504 WeakPolarHBondContact O-CB 3.39Å; R501-W504 PolarHBondContact O-N 3.49Å; R501-N505 WeakPolarHBondContact O-CB 3.4Å; R501-N505 PolarHBondContact O-N 2.88Å; R501-N505 PolarHBondContact O-ND2 2.81Å |
| 502 | D | 90.4 | Very high | 90.6 | Very high | 89 Ų | 89 | 60 Ų | 60 | 48% | 0.476 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.3 | -41.5 | 179.6 | -58.1 | -40.3 | 0 | 0 | 0 | 112.2 | G498 L499 W504 N505 E506 | G498-D502 PolarHBondContact O-N 3.33Å; L499-D502 PolarHBondContact O-N 3.33Å; D502-W504 VanDerWaalsContact C-N 3.31Å; D502-W504 PolarHBondContact O-N 3.31Å; D502-N505 PolarHBondContact O-N 3.29Å; D502-E506 WeakPolarHBondContact O-CB 3.3Å; D502-E506 PolarHBondContact O-N 2.88Å |
| 503 | H | 94.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.6 | -38.3 | 172.9 | -174 | -179 | 0 | 0 | 0 | 111.8 | Y392 L499 M507 H517 H519 | Y392-H503 AromaticContact CD2-CE1 3.72Å; Y392-H503 AromaticContact CE2-CE1 3.41Å; Y392-H503 VanDerWaalsContact CE2-CE1 3.41Å; Y392-H503 WeakPolarHBondContact CE2-CE1 3.39Å; Y392-H503 AromaticContact CE2-ND1 3.49Å; Y392-H503 WeakPolarHBondContact CE2-ND1 3.38Å; Y392-H503 AromaticContact CZ-ND1 3.73Å; Y392-H503 PolarHBondContact O-CE1 2.94Å; L499-H503 VanDerWaalsContact O-CB 3.29Å; L499-H503 WeakPolarHBondContact O-CB 3.2Å; L499-H503 PolarHBondContact O-N 2.95Å; H503-M507 WeakPolarHBondContact O-CB 3.34Å; H503-M507 PolarHBondContact O-N 2.9Å; H503-M507 VanDerWaalsContact O-N 3.08Å; H503-H517 AromaticContact CD2-CD2 3.65Å; H503-H517 AromaticContact CG-CD2 3.69Å; H503-H519 VanDerWaalsContact CB-NE2 3.3Å; H503-H519 WeakPolarHBondContact CB-NE2 3.34Å; H503-H519 AromaticContact CG-NE2 3.97Å; H503-H519 AromaticContact ND1-CD2 3.95Å; H503-H519 AromaticContact ND1-NE2 3.75Å |
| 504 | W | 95.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.008 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.6 | -45.3 | 174.9 | -170.6 | -95.5 | 0 | 0 | 0 | 111.6 | L394 M403 V466 V469 L471 A492 R501 D502 M507 L508 | L394-W504 HydrophobicContact CD1-CE3 4.15Å; M403-W504 HydrophobicContact CE-CH2 3.69Å; M403-W504 HydrophobicContact CE-CZ2 4.25Å; M403-W504 HydrophobicContact CE-CZ3 3.95Å; V466-W504 HydrophobicContact CG1-CZ2 4.35Å; V469-W504 HydrophobicContact CG2-CH2 4.15Å; V469-W504 HydrophobicContact CG2-CZ2 4.02Å; L471-W504 HydrophobicContact CD1-CZ3 3.93Å; L471-W504 HydrophobicContact CG-CZ3 3.96Å; A492-W504 HydrophobicContact CB-CE3 4.31Å; R501-W504 WeakPolarHBondContact O-CB 3.39Å; R501-W504 PolarHBondContact O-N 3.49Å; D502-W504 VanDerWaalsContact C-N 3.31Å; D502-W504 PolarHBondContact O-N 3.31Å; W504-M507 HydrophobicContact CD2-CE 3.55Å; W504-M507 HydrophobicContact CE3-CE 3.66Å; W504-M507 HydrophobicContact CE3-SD 4.38Å; W504-M507 HydrophobicContact CG-CE 4.03Å; W504-M507 HydrophobicContact CH2-CE 4.35Å; W504-M507 HydrophobicContact CZ2-CE 4.24Å; W504-M507 HydrophobicContact CZ3-CE 4.06Å; W504-M507 WeakPolarHBondContact O-CB 3.36Å; W504-M507 WeakPolarHBondContact O-CE 3.21Å; W504-M507 PolarHBondContact O-N 3.24Å; W504-L508 WeakPolarHBondContact O-CG 3.44Å; W504-L508 PolarHBondContact O-N 3.41Å; W504-L508 VanDerWaalsContact O-N 3.1Å |
| 505 | N | 95.3 | Very high | 91.4 | Very high | 72 Ų | 72 | 66.9 Ų | 66.9 | 39% | 0.385 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 176.7 | -65.9 | -23.6 | 0 | 0 | 0 | 111.9 | R501 D502 M507 L508 A509 | R501-N505 WeakPolarHBondContact O-CB 3.4Å; R501-N505 PolarHBondContact O-N 2.88Å; R501-N505 PolarHBondContact O-ND2 2.81Å; D502-N505 PolarHBondContact O-N 3.29Å; N505-M507 PolarHBondContact O-N 2.89Å; N505-L508 PolarHBondContact O-N 3.4Å; N505-A509 WeakPolarHBondContact O-CB 3.34Å; N505-A509 PolarHBondContact O-N 2.82Å |
| 506 | E | 95.3 | Very high | 92.1 | Very high | 61 Ų | 61 | 65.3 Ų | 65.3 | 29% | 0.285 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 178 | -170.5 | -173.7 | 171 | 0 | 0 | 111.5 | D502 L508 A509 Y510 I515 H517 | D502-E506 WeakPolarHBondContact O-CB 3.3Å; D502-E506 PolarHBondContact O-N 2.88Å; E506-L508 VanDerWaalsContact C-N 3.31Å; E506-L508 PolarHBondContact O-N 3.49Å; E506-A509 PolarHBondContact O-N 3.5Å; E506-Y510 HydrophobicContact CG-CD2 3.74Å; E506-Y510 HydrophobicContact CG-CE2 3.91Å; E506-Y510 WeakPolarHBondContact O-CD2 3.32Å; E506-Y510 PolarHBondContact O-N 3.34Å; E506-I515 HydrophobicContact CB-CG2 4.23Å; E506-I515 VanDerWaalsContact CD-CG2 3.42Å; E506-I515 HydrophobicContact CG-CD1 4.01Å; E506-I515 HydrophobicContact CG-CG1 4.03Å; E506-I515 HydrophobicContact CG-CG2 3.97Å; E506-I515 VanDerWaalsContact OE2-CG2 3.27Å; E506-I515 WeakPolarHBondContact OE2-CG2 3.25Å; E506-H517 IonicContact OE2-CD2 3.73Å; E506-H517 IonicContact OE2-CE1 3.72Å; E506-H517 IonicContact OE2-NE2 2.79Å; E506-H517 PolarHBondContact OE2-NE2 3.32Å |
| 507 | M | 96.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.3 | -39.7 | 174.1 | 170.5 | -154.3 | 66.6 | 0 | 0 | 112.2 | L394 M403 H503 W504 N505 Y510 I515 | L394-M507 HydrophobicContact CB-CB 4.14Å; L394-M507 HydrophobicContact CB-CG 3.9Å; L394-M507 HydrophobicContact CB-SD 3.57Å; L394-M507 VanDerWaalsContact CB-SD 3.57Å; L394-M507 HydrophobicContact CD1-SD 4.05Å; L394-M507 HydrophobicContact CG-SD 4.34Å; M403-M507 HydrophobicContact CE-CE 3.47Å; M403-M507 VanDerWaalsContact CE-CE 3.47Å; M403-M507 HydrophobicContact CE-SD 3.45Å; M403-M507 WeakPolarHBondContact CE-SD 3.12Å; M403-M507 HydrophobicContact SD-CE 4.21Å; M403-M507 HydrophobicContact SD-SD 3.32Å; H503-M507 WeakPolarHBondContact O-CB 3.34Å; H503-M507 PolarHBondContact O-N 2.9Å; H503-M507 VanDerWaalsContact O-N 3.08Å; W504-M507 HydrophobicContact CD2-CE 3.55Å; W504-M507 HydrophobicContact CE3-CE 3.66Å; W504-M507 HydrophobicContact CE3-SD 4.38Å; W504-M507 HydrophobicContact CG-CE 4.03Å; W504-M507 HydrophobicContact CH2-CE 4.35Å; W504-M507 HydrophobicContact CZ2-CE 4.24Å; W504-M507 HydrophobicContact CZ3-CE 4.06Å; W504-M507 WeakPolarHBondContact O-CB 3.36Å; W504-M507 WeakPolarHBondContact O-CE 3.21Å; W504-M507 PolarHBondContact O-N 3.24Å; N505-M507 PolarHBondContact O-N 2.89Å; M507-Y510 CarbonylContact O-C 3.57Å; M507-I515 HydrophobicContact CB-CG1 4.39Å |
| 508 | L | 95.5 | Very high | 93.2 | Very high | 62 Ų | 62 | 64.1 Ų | 64.1 | 33% | 0.325 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -74.2 | -32.8 | 177 | -65.6 | 179.9 | 0 | 0 | 0 | 112.8 | Y396 V466 W504 N505 E506 Y510 | Y396-L508 HydrophobicContact CD1-CD2 4.06Å; V466-L508 HydrophobicContact CG1-CD1 3.82Å; V466-L508 HydrophobicContact CG1-CD2 3.55Å; V466-L508 HydrophobicContact CG1-CG 4.33Å; W504-L508 WeakPolarHBondContact O-CG 3.44Å; W504-L508 PolarHBondContact O-N 3.41Å; W504-L508 VanDerWaalsContact O-N 3.1Å; N505-L508 PolarHBondContact O-N 3.4Å; E506-L508 VanDerWaalsContact C-N 3.31Å; E506-L508 PolarHBondContact O-N 3.49Å; L508-Y510 VanDerWaalsContact C-N 3.33Å |
| 509 | A | 96.4 | Very high | 93.5 | Very high | 67 Ų | 67 | 62.9 Ų | 62.9 | 55% | 0.554 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -69 | -29.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N505 E506 P511 | N505-A509 WeakPolarHBondContact O-CB 3.34Å; N505-A509 PolarHBondContact O-N 2.82Å; E506-A509 PolarHBondContact O-N 3.5Å; A509-P511 VanDerWaalsContact C-CD 3.42Å; A509-P511 VanDerWaalsContact O-CD 3.31Å; A509-P511 WeakPolarHBondContact O-CD 3.1Å |
| 510 | Y | 95.6 | Very high | 93.5 | Very high | 126 Ų | 126 | 62.6 Ų | 62.6 | 49% | 0.494 | 32% | 0.317 | S | S | . | . | S | Bend | trans | -119.7 | 64.8 | 179.8 | -57.9 | -66.1 | 0 | 0 | 0 | 112.7 | E506 M507 L508 R512 K513 I515 | E506-Y510 HydrophobicContact CG-CD2 3.74Å; E506-Y510 HydrophobicContact CG-CE2 3.91Å; E506-Y510 WeakPolarHBondContact O-CD2 3.32Å; E506-Y510 PolarHBondContact O-N 3.34Å; M507-Y510 CarbonylContact O-C 3.57Å; L508-Y510 VanDerWaalsContact C-N 3.33Å; Y510-R512 PolarHBondContact O-N 2.9Å; Y510-K513 HydrophobicContact CG-CD 4.3Å; Y510-K513 VanDerWaalsContact O-CB 3.29Å; Y510-K513 WeakPolarHBondContact O-CB 3.28Å; Y510-K513 PolarHBondContact O-N 3.35Å; Y510-I515 HydrophobicContact CD2-CD1 4.14Å |
| 511 | P | 93 | Very high | 93.7 | Very high | 53 Ų | 53 | 62.9 Ų | 62.9 | 34% | 0.344 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | 140.1 | -176.4 | 27.1 | -35 | 0 | 0 | 0 | 111.7 | P398 A509 K513 | P398-P511 HydrophobicContact CG-CB 4.09Å; A509-P511 VanDerWaalsContact C-CD 3.42Å; A509-P511 VanDerWaalsContact O-CD 3.31Å; A509-P511 WeakPolarHBondContact O-CD 3.1Å; P511-K513 PolarHBondContact O-N 2.84Å |
| 512 | R | 93.9 | Very high | 93.4 | Very high | 186 Ų | 186 | 57.9 Ų | 57.9 | 70% | 0.702 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.7 | -4.6 | -171.8 | -47.8 | 168.6 | -69.9 | -173.7 | -1.6 | 115.7 | C395 Y396 L397 Y510 | C395-R512 VanDerWaalsContact SG-C 3.55Å; Y396-R512 PolarHBondContact O-N 2.85Å; L397-R512 HydrophobicContact CD1-CG 3.71Å; Y510-R512 PolarHBondContact O-N 2.9Å |
| 513 | K | 96.1 | Very high | 92.9 | Very high | 103 Ų | 103 | 57.4 Ų | 57.4 | 45% | 0.448 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -91.1 | 128.6 | 170.6 | -174.8 | -170.4 | 167.4 | -154.3 | 0 | 108.9 | Y510 P511 I515 | Y510-K513 HydrophobicContact CG-CD 4.3Å; Y510-K513 VanDerWaalsContact O-CB 3.29Å; Y510-K513 WeakPolarHBondContact O-CB 3.28Å; Y510-K513 PolarHBondContact O-N 3.35Å; P511-K513 PolarHBondContact O-N 2.84Å; K513-I515 HydrophobicContact CD-CD1 3.71Å; K513-I515 HydrophobicContact CG-CD1 4.09Å; K513-I515 PolarHBondContact O-N 2.82Å |
| 514 | P | 97.3 | Very high | 91.7 | Very high | 81 Ų | 81 | 61.7 Ų | 61.7 | 53% | 0.526 | 32% | 0.322 | S | S | . | . | trans | -69.4 | 113.3 | 167.1 | 27.8 | -31.3 | 0 | 0 | 0 | 109.8 | S393 C395 | S393-P514 WeakPolarHBondContact OG-CB 3.47Å; C395-P514 HydrophobicContact CB-CB 4.36Å | ||
| 515 | I | 97.8 | Very high | 89.8 | Confident | 5 Ų | 5 | 66.2 Ų | 66.2 | 3% | 0.026 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 146.3 | 166.8 | -55 | -50.8 | 0 | 0 | 0 | 107.8 | S393 L394 E506 M507 Y510 K513 | S393-I515 CarbonylContact C-O 3.48Å; S393-I515 WeakPolarHBondContact CA-O 3.16Å; S393-I515 WeakPolarHBondContact CB-O 3.4Å; S393-I515 PolarHBondContact OG-O 3.27Å; L394-I515 PolarHBondContact N-O 2.92Å; L394-I515 PolarHBondContact O-N 2.86Å; E506-I515 HydrophobicContact CB-CG2 4.23Å; E506-I515 VanDerWaalsContact CD-CG2 3.42Å; E506-I515 HydrophobicContact CG-CD1 4.01Å; E506-I515 HydrophobicContact CG-CG1 4.03Å; E506-I515 HydrophobicContact CG-CG2 3.97Å; E506-I515 VanDerWaalsContact OE2-CG2 3.27Å; E506-I515 WeakPolarHBondContact OE2-CG2 3.25Å; M507-I515 HydrophobicContact CB-CG1 4.39Å; Y510-I515 HydrophobicContact CD2-CD1 4.14Å; K513-I515 HydrophobicContact CD-CD1 3.71Å; K513-I515 HydrophobicContact CG-CD1 4.09Å; K513-I515 PolarHBondContact O-N 2.82Å |
| 516 | T | 97.4 | Very high | 87.1 | Confident | 63 Ų | 63 | 66.6 Ų | 66.6 | 39% | 0.387 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 125.7 | -176.9 | -57.4 | 0 | 0 | 0 | 0 | 110.4 | M391 S393 I408 | M391-T516 HydrophobicContact CE-CG2 4.36Å; M391-T516 HydrophobicContact CG-CG2 4.07Å; M391-T516 HydrophobicContact SD-CG2 4.46Å; S393-T516 WeakPolarHBondContact CB-OG1 3.24Å; S393-T516 PolarHBondContact OG-OG1 3.23Å; I408-T516 HydrophobicContact CD1-CG2 3.57Å |
| 517 | H | 91.8 | Very high | 84.6 | Confident | 58 Ų | 58 | 65 Ų | 65 | 27% | 0.269 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 159.6 | 177.7 | -75.7 | -66.6 | 0 | 0 | 0 | 111.9 | M391 Y392 H503 E506 | M391-H517 WeakPolarHBondContact CA-O 3.28Å; Y392-H517 PolarHBondContact N-O 3.45Å; Y392-H517 PolarHBondContact O-N 2.79Å; H503-H517 AromaticContact CD2-CD2 3.65Å; H503-H517 AromaticContact CG-CD2 3.69Å; E506-H517 IonicContact OE2-CD2 3.73Å; E506-H517 IonicContact OE2-CE1 3.72Å; E506-H517 IonicContact OE2-NE2 2.79Å; E506-H517 PolarHBondContact OE2-NE2 3.32Å |
| 518 | W | 91.8 | Very high | 82 | Confident | 66 Ų | 66 | 67.6 Ų | 67.6 | 25% | 0.25 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 141.2 | 163.4 | -75.3 | 98.6 | 0 | 0 | 0 | 109.4 | E389 M391 K409 R411 L499 | E389-W518 HydrophobicContact CB-CE3 3.78Å; E389-W518 HydrophobicContact CB-CZ3 4.16Å; M391-W518 HydrophobicContact CB-CD2 3.75Å; M391-W518 HydrophobicContact CB-CE3 3.65Å; M391-W518 HydrophobicContact CB-CG 4.45Å; M391-W518 HydrophobicContact CB-CH2 3.98Å; M391-W518 HydrophobicContact CB-CZ2 4.07Å; M391-W518 HydrophobicContact CB-CZ3 3.75Å; M391-W518 HydrophobicContact CG-CD2 3.89Å; M391-W518 HydrophobicContact CG-CE3 4.32Å; M391-W518 HydrophobicContact CG-CG 4.19Å; M391-W518 HydrophobicContact CG-CZ2 4.3Å; M391-W518 HydrophobicContact SD-CD2 4.19Å; M391-W518 VanDerWaalsContact SD-CE2 3.51Å; M391-W518 HydrophobicContact SD-CH2 4.47Å; M391-W518 HydrophobicContact SD-CZ2 3.71Å; K409-W518 HydrophobicContact CD-CH2 4.28Å; K409-W518 VanDerWaalsContact CE-CZ2 3.47Å; K409-W518 HydrophobicContact CG-CH2 4Å; R411-W518 HydrophobicContact CB-CH2 4.09Å; R411-W518 HydrophobicContact CB-CZ3 4.21Å; R411-W518 HydrophobicContact CG-CE3 4.42Å; R411-W518 HydrophobicContact CG-CH2 3.75Å; R411-W518 HydrophobicContact CG-CZ3 3.6Å; L499-W518 WeakPolarHBondContact CD2-O 3.32Å |
| 519 | H | 88.3 | Confident | 79.2 | Confident | 14 Ų | 14 | 68.9 Ų | 68.9 | 7% | 0.065 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 130.4 | 173.4 | -68.6 | -105.9 | 0 | 0 | 0 | 109 | E389 I390 Y392 C490 L499 G500 H503 | E389-H519 CarbonylContact C-O 3.56Å; E389-H519 VanDerWaalsContact CA-O 3.32Å; E389-H519 WeakPolarHBondContact CA-O 3.34Å; I390-H519 HydrophobicContact CG2-CB 4.18Å; I390-H519 PolarHBondContact N-O 3.28Å; I390-H519 PolarHBondContact O-N 2.79Å; Y392-H519 HydrophobicContact CE1-CB 3.99Å; Y392-H519 AromaticContact CE1-CD2 3.24Å; Y392-H519 WeakPolarHBondContact CE1-CD2 3.37Å; Y392-H519 AromaticContact CE1-CG 3.56Å; Y392-H519 AromaticContact CZ-CD2 3.48Å; Y392-H519 VanDerWaalsContact CZ-CD2 3.48Å; Y392-H519 AromaticContact CZ-CG 3.91Å; Y392-H519 PolarHBondContact OH-CD2 2.91Å; Y392-H519 PolarHBondContact OH-ND1 3.28Å; C490-H519 HydrophobicContact CB-CB 4.2Å; L499-H519 PolarHBondContact O-NE2 2.78Å; G500-H519 WeakPolarHBondContact CA-NE2 3.39Å; G500-H519 PolarHBondContact N-NE2 3.39Å; H503-H519 VanDerWaalsContact CB-NE2 3.3Å; H503-H519 WeakPolarHBondContact CB-NE2 3.34Å; H503-H519 AromaticContact CG-NE2 3.97Å; H503-H519 AromaticContact ND1-CD2 3.95Å; H503-H519 AromaticContact ND1-NE2 3.75Å |
| 520 | A | 85.8 | Confident | 76.4 | Confident | 72 Ų | 72 | 70 Ų | 70 | 60% | 0.595 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 151 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 521 | L | 89.6 | Confident | 73.7 | Confident | 9 Ų | 9 | 72 Ų | 72 | 5% | 0.047 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -99.1 | 125.1 | 175.2 | -61.1 | 171 | 0 | 0 | 0 | 109.1 | L387 G388 I390 L413 V475 C490 | L387-L521 HydrophobicContact CB-CB 3.86Å; G388-L521 WeakPolarHBondContact O-CB 3.18Å; G388-L521 WeakPolarHBondContact O-CG 3.28Å; G388-L521 PolarHBondContact O-N 3.19Å; I390-L521 HydrophobicContact CB-CD2 4.3Å; I390-L521 HydrophobicContact CG2-CD2 3.71Å; I390-L521 HydrophobicContact CG2-CG 4.46Å; L413-L521 HydrophobicContact CD2-CD1 3.59Å; V475-L521 HydrophobicContact CB-CD1 4.02Å; V475-L521 HydrophobicContact CG2-CD1 3.59Å; V475-L521 HydrophobicContact CG2-CD2 3.71Å; V475-L521 HydrophobicContact CG2-CG 4.32Å; C490-L521 HydrophobicContact CB-CD2 4.46Å |
| 522 | G | 83.8 | Confident | 71.3 | Confident | 26 Ų | 26 | 71 Ų | 71 | 27% | 0.268 | 39% | 0.388 | S | S | . | . | B | Isolated β-bridge | trans | -101.5 | 172.1 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112 | L387 G488 V489 | L387-G522 WeakPolarHBondContact CD1-O 3.4Å; G488-G522 CarbonylContact C-O 3.52Å; G488-G522 WeakPolarHBondContact CA-O 3.29Å; V489-G522 PolarHBondContact N-O 3.39Å; V489-G522 PolarHBondContact O-N 2.96Å |
| 523 | E | 79 | Confident | 68.7 | Low | 79 Ų | 79 | 66.4 Ų | 66.4 | 37% | 0.369 | 38% | 0.381 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 157.2 | 179.5 | -62.3 | -166.9 | 131.1 | 0 | 0 | 112.8 | T382 I385 L387 N525 | T382-E523 HydrophobicContact CG2-CB 4.02Å; T382-E523 HydrophobicContact CG2-CG 4.16Å; T382-E523 WeakPolarHBondContact CG2-OE2 3.45Å; I385-E523 WeakPolarHBondContact CD1-OE1 3.44Å; L387-E523 HydrophobicContact CD1-CG 3.88Å; E523-N525 VanDerWaalsContact C-N 3.32Å; E523-N525 PolarHBondContact O-N 3.03Å |
| 524 | E | 70.1 | Confident | 66 | Low | 91 Ų | 91 | 63.8 Ų | 63.8 | 43% | 0.425 | 38% | 0.378 | S | S | . | . | trans | -75.5 | 83.9 | 174.4 | -169.3 | 172.8 | -153.9 | 0 | 0 | 110.4 | R436 V486 V489 A526 | R436-E524 IonicContact NH2-OE1 2.63Å; V486-E524 HydrophobicContact CG1-CB 4.39Å; V489-E524 HydrophobicContact CG2-CB 3.85Å; V489-E524 HydrophobicContact CG2-CG 4.28Å; E524-A526 PolarHBondContact O-N 2.99Å; E524-A526 VanDerWaalsContact O-N 3.08Å | ||
| 525 | N | 54.4 | Low | 63.2 | Low | 97 Ų | 97 | 66.8 Ų | 66.8 | 52% | 0.519 | 38% | 0.383 | S | S | . | . | trans | -60.6 | 108.8 | 175.7 | -83.1 | -40.8 | 0 | 0 | 0 | 111.8 | E523 G527 D528 | E523-N525 VanDerWaalsContact C-N 3.32Å; E523-N525 PolarHBondContact O-N 3.03Å; N525-G527 PolarHBondContact O-N 3.2Å; N525-D528 WeakPolarHBondContact O-CB 3.13Å; N525-D528 PolarHBondContact O-N 3.08Å | ||
| 526 | A | 39.9 | Very low | 60.6 | Low | 80 Ų | 80 | 69.8 Ų | 69.8 | 66% | 0.661 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -19.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | E524 D528 C529 | E524-A526 PolarHBondContact O-N 2.99Å; E524-A526 VanDerWaalsContact O-N 3.08Å; A526-D528 PolarHBondContact O-N 3.43Å; A526-D528 VanDerWaalsContact O-N 3.08Å; A526-C529 PolarHBondContact O-N 3.5Å; A526-C529 VanDerWaalsContact O-N 3.12Å |
| 527 | G | 42 | Very low | 57.9 | Low | 28 Ų | 28 | 72.3 Ų | 72.3 | 29% | 0.289 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -56.2 | -17.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | N525 C529 I530 F531 | N525-G527 PolarHBondContact O-N 3.2Å; G527-C529 VanDerWaalsContact C-N 3.25Å; G527-C529 PolarHBondContact O-N 2.87Å; G527-I530 WeakPolarHBondContact O-CA 3.33Å; G527-I530 WeakPolarHBondContact O-CB 3.33Å; G527-I530 PolarHBondContact O-N 2.78Å; G527-F531 PolarHBondContact O-N 2.91Å |
| 528 | D | 42.8 | Very low | 55.5 | Low | 54 Ų | 54 | 79.6 Ų | 79.6 | 29% | 0.289 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61 | -30.4 | 172.9 | -87.6 | -34.8 | 0 | 0 | 0 | 114 | R491 N525 A526 | R491-D528 VanDerWaalsContact CZ-CG 3.41Å; R491-D528 IonicContact CZ-OD1 3.2Å; R491-D528 IonicContact CZ-OD2 2.73Å; R491-D528 IonicContact NE-OD2 2.68Å; R491-D528 IonicContact NH1-OD1 3.75Å; R491-D528 PolarHBondContact NH1-OD1 2.88Å; R491-D528 IonicContact NH1-OD2 2.68Å; R491-D528 IonicContact NH2-OD1 3.52Å; R491-D528 PolarHBondContact NH2-OD1 3.45Å; R491-D528 IonicContact NH2-OD2 2.73Å; R491-D528 PolarHBondContact NH2-OD2 3.47Å; N525-D528 WeakPolarHBondContact O-CB 3.13Å; N525-D528 PolarHBondContact O-N 3.08Å; A526-D528 PolarHBondContact O-N 3.43Å; A526-D528 VanDerWaalsContact O-N 3.08Å |
| 529 | C | 36.8 | Very low | 53 | Low | 89 Ų | 89 | 81.8 Ų | 81.8 | 60% | 0.601 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -71.8 | -41.8 | 168.8 | -71.3 | 0 | 0 | 0 | 0 | 110.8 | A526 G527 S532 V533 | A526-C529 PolarHBondContact O-N 3.5Å; A526-C529 VanDerWaalsContact O-N 3.12Å; G527-C529 VanDerWaalsContact C-N 3.25Å; G527-C529 PolarHBondContact O-N 2.87Å; C529-S532 PolarHBondContact O-N 3.36Å; C529-V533 WeakPolarHBondContact O-CG2 3.34Å; C529-V533 PolarHBondContact O-N 2.83Å |
| 530 | I | 37.5 | Very low | 50.5 | Low | 91 Ų | 91 | 87 Ų | 87 | 47% | 0.467 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.2 | -44.8 | -175.2 | -54.8 | 179.7 | 0 | 0 | 0 | 111.2 | G527 S532 V533 A534 | G527-I530 WeakPolarHBondContact O-CA 3.33Å; G527-I530 WeakPolarHBondContact O-CB 3.33Å; G527-I530 PolarHBondContact O-N 2.78Å; I530-S532 VanDerWaalsContact C-N 3.3Å; I530-S532 PolarHBondContact O-N 2.9Å; I530-V533 PolarHBondContact O-N 2.82Å; I530-A534 WeakPolarHBondContact O-CB 3.26Å; I530-A534 PolarHBondContact O-N 3.49Å |
| 531 | F | 39.1 | Very low | 48.3 | Very low | 166 Ų | 166 | 91.7 Ų | 91.7 | 73% | 0.728 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.2 | -37.5 | 174.8 | -87.3 | -77.9 | 0 | 0 | 0 | 112.5 | G527 K535 | G527-F531 PolarHBondContact O-N 2.91Å; F531-K535 VanDerWaalsContact O-CB 3.24Å; F531-K535 WeakPolarHBondContact O-CB 3.29Å; F531-K535 PolarHBondContact O-N 3.49Å; F531-K535 VanDerWaalsContact O-N 3.1Å |
| 532 | S | 41.6 | Very low | 46.3 | Very low | 32 Ų | 32 | 95.8 Ų | 95.8 | 22% | 0.224 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -70.5 | -30.7 | 176.6 | -165.7 | 0 | 0 | 0 | 0 | 113 | C529 I530 L536 | C529-S532 PolarHBondContact O-N 3.36Å; I530-S532 VanDerWaalsContact C-N 3.3Å; I530-S532 PolarHBondContact O-N 2.9Å; S532-L536 PolarHBondContact O-N 3.27Å |
| 533 | V | 40.5 | Very low | 44.3 | Very low | 91 Ų | 91 | 99.5 Ų | 99.5 | 55% | 0.552 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -77.5 | -46.5 | 175.8 | 172.1 | 0 | 0 | 0 | 0 | 111.3 | C529 I530 K535 L536 F537 | C529-V533 WeakPolarHBondContact O-CG2 3.34Å; C529-V533 PolarHBondContact O-N 2.83Å; I530-V533 PolarHBondContact O-N 2.82Å; V533-K535 VanDerWaalsContact C-N 3.31Å; V533-K535 PolarHBondContact O-N 3.36Å; V533-L536 WeakPolarHBondContact O-CA 3.39Å; V533-L536 VanDerWaalsContact O-CB 3.31Å; V533-L536 WeakPolarHBondContact O-CB 3.41Å; V533-L536 PolarHBondContact O-N 2.82Å; V533-L536 VanDerWaalsContact O-N 3.09Å; V533-F537 PolarHBondContact O-N 2.89Å |
| 534 | A | 39.4 | Very low | 42.3 | Very low | 47 Ų | 47 | 100.6 Ų | 100.6 | 39% | 0.388 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.4 | -39.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | I530 L536 F537 Y538 | I530-A534 WeakPolarHBondContact O-CB 3.26Å; I530-A534 PolarHBondContact O-N 3.49Å; A534-L536 VanDerWaalsContact C-N 3.33Å; A534-F537 WeakPolarHBondContact O-CB 3.17Å; A534-F537 PolarHBondContact O-N 3.4Å; A534-Y538 PolarHBondContact O-N 3.33Å |
| 535 | K | 38.1 | Very low | 40.7 | Very low | 145 Ų | 145 | 101.2 Ų | 101.2 | 63% | 0.63 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.3 | -30.3 | 175.6 | -158.4 | 170.9 | -171.9 | 178.3 | 0 | 112.3 | F531 V533 T539 | F531-K535 VanDerWaalsContact O-CB 3.24Å; F531-K535 WeakPolarHBondContact O-CB 3.29Å; F531-K535 PolarHBondContact O-N 3.49Å; F531-K535 VanDerWaalsContact O-N 3.1Å; V533-K535 VanDerWaalsContact C-N 3.31Å; V533-K535 PolarHBondContact O-N 3.36Å; K535-T539 PolarHBondContact O-N 3.45Å; K535-T539 PolarHBondContact O-OG1 3.07Å |
| 536 | L | 43.3 | Very low | 39.9 | Very low | 68 Ų | 68 | 101.4 Ų | 101.4 | 36% | 0.356 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.5 | -45.3 | 169.2 | -124 | 82.8 | 0 | 0 | 0 | 111.5 | S532 V533 A534 Y538 T539 L540 | S532-L536 PolarHBondContact O-N 3.27Å; V533-L536 WeakPolarHBondContact O-CA 3.39Å; V533-L536 VanDerWaalsContact O-CB 3.31Å; V533-L536 WeakPolarHBondContact O-CB 3.41Å; V533-L536 PolarHBondContact O-N 2.82Å; V533-L536 VanDerWaalsContact O-N 3.09Å; A534-L536 VanDerWaalsContact C-N 3.33Å; L536-Y538 VanDerWaalsContact C-N 3.33Å; L536-Y538 PolarHBondContact O-N 2.84Å; L536-T539 CarbonylContact O-C 3.49Å; L536-T539 WeakPolarHBondContact O-CA 3.37Å; L536-T539 WeakPolarHBondContact O-CB 3.21Å; L536-T539 PolarHBondContact O-N 3.21Å; L536-L540 WeakPolarHBondContact O-CG 3.34Å; L536-L540 PolarHBondContact O-N 3.02Å |
| 537 | F | 41.3 | Very low | 39.9 | Very low | 116 Ų | 116 | 102.9 Ų | 102.9 | 51% | 0.509 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -58.3 | -44.4 | 178.6 | -122.2 | -85.6 | 0 | 0 | 0 | 111.8 | V37 V533 A534 T539 L540 V541 | V37-F537 HydrophobicContact CG2-CE2 3.98Å; V37-F537 HydrophobicContact CG2-CZ 3.76Å; V533-F537 PolarHBondContact O-N 2.89Å; A534-F537 WeakPolarHBondContact O-CB 3.17Å; A534-F537 PolarHBondContact O-N 3.4Å; F537-T539 PolarHBondContact O-N 3.41Å; F537-T539 VanDerWaalsContact O-N 3.14Å; F537-L540 PolarHBondContact O-N 2.94Å; F537-L540 VanDerWaalsContact O-N 3.13Å; F537-V541 PolarHBondContact O-N 2.83Å |
| 538 | Y | 40.6 | Very low | 39.7 | Very low | 210 Ų | 210 | 108.2 Ų | 108.2 | 82% | 0.824 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -2.1 | 173.1 | -97.5 | -78.6 | 0 | 0 | 0 | 115.2 | A534 L536 | A534-Y538 PolarHBondContact O-N 3.33Å; L536-Y538 VanDerWaalsContact C-N 3.33Å; L536-Y538 PolarHBondContact O-N 2.84Å |
| 539 | T | 39 | Very low | 39.5 | Very low | 113 Ų | 113 | 112.4 Ų | 112.4 | 69% | 0.693 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.6 | -1.7 | 175.1 | -46.2 | 0 | 0 | 0 | 0 | 111.7 | K535 L536 F537 | K535-T539 PolarHBondContact O-N 3.45Å; K535-T539 PolarHBondContact O-OG1 3.07Å; L536-T539 CarbonylContact O-C 3.49Å; L536-T539 WeakPolarHBondContact O-CA 3.37Å; L536-T539 WeakPolarHBondContact O-CB 3.21Å; L536-T539 PolarHBondContact O-N 3.21Å; F537-T539 PolarHBondContact O-N 3.41Å; F537-T539 VanDerWaalsContact O-N 3.14Å |
| 540 | L | 37 | Very low | 39.7 | Very low | 122 Ų | 122 | 114.3 Ų | 114.3 | 64% | 0.639 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115 | -2.2 | -178.7 | -72.6 | 168.5 | 0 | 0 | 0 | 113.3 | L536 F537 | L536-L540 WeakPolarHBondContact O-CG 3.34Å; L536-L540 PolarHBondContact O-N 3.02Å; F537-L540 PolarHBondContact O-N 2.94Å; F537-L540 VanDerWaalsContact O-N 3.13Å |
| 541 | V | 38.9 | Very low | 39.9 | Very low | 171 Ų | 171 | 116.5 Ų | 116.5 | 100% | 1.036 | 60% | 0.598 | S | S | * | * | trans | -118.1 | 0 | 174.7 | -179.6 | 0 | 0 | 0 | 0 | 108.7 | F537 | F537-V541 PolarHBondContact O-N 2.83Š|
Retrieved 541 of 541 residues in 323 ms
(Link to these results)