| 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 | 54.9 | Low | 70.7 | Confident | 223 Ų | 223 | 131.6 Ų | 131.6 | 100% | 1.099 | 68% | 0.677 | S | S | * | * | 0 | 129.5 | 0 | -88.6 | -176.7 | -171.9 | 0 | 0 | 108.5 | Q3 | M1-Q3 PolarHBondContact O-N 3.24Š| |||
| 2 | N | 77 | Confident | 69.9 | Low | 114 Ų | 114 | 134.1 Ų | 134.1 | 61% | 0.61 | 68% | 0.683 | S | S | * | * | trans | -88 | 105.6 | -175.1 | -144.4 | -18.8 | 0 | 0 | 0 | 109.4 | E4 K5 L6 | N2-E4 VanDerWaalsContact C-N 3.32Å; N2-E4 PolarHBondContact O-N 2.88Å; N2-K5 PolarHBondContact O-N 3.21Å; N2-L6 PolarHBondContact O-N 2.91Å | ||
| 3 | Q | 78 | Confident | 69.1 | Low | 164 Ų | 164 | 130.4 Ų | 130.4 | 77% | 0.766 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -60.7 | -36.1 | -167.9 | -83 | 178.2 | -8.5 | 0 | 0 | 113.4 | M1 K5 L6 A7 | M1-Q3 PolarHBondContact O-N 3.24Å; Q3-K5 PolarHBondContact O-N 3.16Å; Q3-L6 WeakPolarHBondContact O-CB 3.27Å; Q3-L6 PolarHBondContact O-N 3.47Å; Q3-A7 PolarHBondContact O-N 2.87Å |
| 4 | E | 76.1 | Confident | 68.5 | Low | 145 Ų | 145 | 139.1 Ų | 139.1 | 68% | 0.678 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -66.8 | -36.2 | -178.5 | -64.5 | -174.1 | 161.7 | 0 | 0 | 113.4 | N2 L6 K8 | N2-E4 VanDerWaalsContact C-N 3.32Å; N2-E4 PolarHBondContact O-N 2.88Å; E4-L6 VanDerWaalsContact C-N 3.32Å; E4-K8 WeakPolarHBondContact O-CG 3.29Å; E4-K8 PolarHBondContact O-N 2.88Å; E4-K8 VanDerWaalsContact O-N 3.11Å |
| 5 | K | 74.8 | Confident | 68.4 | Low | 149 Ų | 149 | 138.9 Ų | 138.9 | 65% | 0.648 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -69.9 | -34.4 | 175.6 | -73.5 | -171.8 | 177.9 | -178.3 | 0 | 111.2 | N2 Q3 L9 | N2-K5 PolarHBondContact O-N 3.21Å; Q3-K5 PolarHBondContact O-N 3.16Å; K5-L9 WeakPolarHBondContact O-CD1 3.36Å; K5-L9 PolarHBondContact O-N 3.41Å; K5-L9 VanDerWaalsContact O-N 3.11Å |
| 6 | L | 74.3 | Confident | 68.4 | Low | 93 Ų | 93 | 134.1 Ų | 134.1 | 49% | 0.487 | 69% | 0.688 | S | S | . | * | H | α-helix | trans | -69 | -42.2 | 177.3 | -153.2 | 75.9 | 0 | 0 | 0 | 111.4 | N2 Q3 E4 L9 Q10 | N2-L6 PolarHBondContact O-N 2.91Å; Q3-L6 WeakPolarHBondContact O-CB 3.27Å; Q3-L6 PolarHBondContact O-N 3.47Å; E4-L6 VanDerWaalsContact C-N 3.32Å; L6-L9 PolarHBondContact O-N 3.06Å; L6-Q10 PolarHBondContact O-N 3.23Å |
| 7 | A | 72.8 | Confident | 68.6 | Low | 56 Ų | 56 | 128.6 Ų | 128.6 | 46% | 0.463 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -63.4 | -41.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q3 L9 Q10 A11 | Q3-A7 PolarHBondContact O-N 2.87Å; A7-L9 VanDerWaalsContact C-N 3.35Å; A7-L9 PolarHBondContact O-N 3.41Å; A7-Q10 PolarHBondContact O-N 3.42Å; A7-A11 PolarHBondContact O-N 2.91Å; A7-A11 VanDerWaalsContact O-N 3.11Å |
| 8 | K | 71.8 | Confident | 68.4 | Low | 155 Ų | 155 | 134.2 Ų | 134.2 | 67% | 0.674 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -64 | -37.6 | 174.4 | -76.2 | 179 | 179.8 | 174.8 | 0 | 112.5 | E4 A11 Q12 | E4-K8 WeakPolarHBondContact O-CG 3.29Å; E4-K8 PolarHBondContact O-N 2.88Å; E4-K8 VanDerWaalsContact O-N 3.11Å; K8-A11 PolarHBondContact O-N 2.74Å; K8-Q12 PolarHBondContact O-N 3.21Å |
| 9 | L | 67.9 | Low | 68.6 | Low | 118 Ų | 118 | 131.6 Ų | 131.6 | 62% | 0.618 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -66.9 | -39.5 | 174.6 | -106.6 | 98.6 | 0 | 0 | 0 | 112.5 | K5 L6 A7 A11 Q12 V13 | K5-L9 WeakPolarHBondContact O-CD1 3.36Å; K5-L9 PolarHBondContact O-N 3.41Å; K5-L9 VanDerWaalsContact O-N 3.11Å; L6-L9 PolarHBondContact O-N 3.06Å; A7-L9 VanDerWaalsContact C-N 3.35Å; A7-L9 PolarHBondContact O-N 3.41Å; L9-A11 VanDerWaalsContact C-N 3.33Å; L9-A11 PolarHBondContact O-N 3.01Å; L9-Q12 PolarHBondContact O-N 3.06Å; L9-V13 WeakPolarHBondContact O-CG2 3.45Å |
| 10 | Q | 66.3 | Low | 68.8 | Low | 141 Ų | 141 | 129 Ų | 129 | 66% | 0.659 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -65 | -34.4 | 177 | -77.3 | -174.6 | -21 | 0 | 0 | 112.7 | L6 A7 Q12 V13 | L6-Q10 PolarHBondContact O-N 3.23Å; A7-Q10 PolarHBondContact O-N 3.42Å; Q10-Q12 VanDerWaalsContact C-N 3.32Å; Q10-Q12 PolarHBondContact O-N 3.37Å; Q10-V13 WeakPolarHBondContact O-CG2 3.38Å |
| 11 | A | 63.7 | Low | 69 | Low | 90 Ų | 90 | 127.8 Ų | 127.8 | 74% | 0.744 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -72.8 | -22.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A7 K8 L9 | A7-A11 PolarHBondContact O-N 2.91Å; A7-A11 VanDerWaalsContact O-N 3.11Å; K8-A11 PolarHBondContact O-N 2.74Å; L9-A11 VanDerWaalsContact C-N 3.33Å; L9-A11 PolarHBondContact O-N 3.01Å |
| 12 | Q | 61.2 | Low | 69.8 | Low | 161 Ų | 161 | 128.5 Ų | 128.5 | 75% | 0.752 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -89.5 | -8.4 | -177.9 | -163.1 | 173.2 | -0.5 | 0 | 0 | 113.3 | K8 L9 Q10 R14 | K8-Q12 PolarHBondContact O-N 3.21Å; L9-Q12 PolarHBondContact O-N 3.06Å; Q10-Q12 VanDerWaalsContact C-N 3.32Å; Q10-Q12 PolarHBondContact O-N 3.37Å; Q12-R14 PolarHBondContact O-N 2.73Å; Q12-R14 VanDerWaalsContact O-N 3.16Å |
| 13 | V | 59.9 | Low | 69.7 | Low | 86 Ų | 86 | 134.6 Ų | 134.6 | 52% | 0.521 | 70% | 0.702 | S | S | . | * | S | Bend | trans | -71.1 | 114.4 | 177.2 | -155.9 | 0 | 0 | 0 | 0 | 107.8 | L9 Q10 I15 | L9-V13 WeakPolarHBondContact O-CG2 3.45Å; Q10-V13 WeakPolarHBondContact O-CG2 3.38Å; V13-I15 HydrophobicContact CB-CD1 4.13Å; V13-I15 HydrophobicContact CB-CG1 3.84Å; V13-I15 HydrophobicContact CG1-CD1 4.31Å; V13-I15 HydrophobicContact CG1-CG1 3.78Å; V13-I15 PolarHBondContact O-N 3.46Å |
| 14 | R | 61.1 | Low | 69.6 | Low | 252 Ų | 252 | 136.1 Ų | 136.1 | 95% | 0.951 | 71% | 0.706 | S | S | * | * | trans | -66.8 | 71.8 | 170.1 | -75.9 | -179.5 | -168.6 | 142.7 | 3.6 | 109.8 | Q12 G16 | Q12-R14 PolarHBondContact O-N 2.73Å; Q12-R14 VanDerWaalsContact O-N 3.16Å; R14-G16 PolarHBondContact O-N 3.07Å | ||
| 15 | I | 66.1 | Low | 69.8 | Low | 137 Ų | 137 | 138 Ų | 138 | 70% | 0.703 | 71% | 0.712 | S | S | * | * | trans | -81.5 | 100.5 | 170 | -52.7 | 173.8 | 0 | 0 | 0 | 104.4 | V13 G17 | V13-I15 HydrophobicContact CB-CD1 4.13Å; V13-I15 HydrophobicContact CB-CG1 3.84Å; V13-I15 HydrophobicContact CG1-CD1 4.31Å; V13-I15 HydrophobicContact CG1-CG1 3.78Å; V13-I15 PolarHBondContact O-N 3.46Å; I15-G17 PolarHBondContact O-N 3.44Å | ||
| 16 | G | 68.5 | Low | 70.1 | Confident | 62 Ų | 62 | 139.6 Ų | 139.6 | 64% | 0.639 | 72% | 0.719 | S | S | * | * | trans | -52.8 | 105.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112 | R14 T20 | R14-G16 PolarHBondContact O-N 3.07Å; G16-T20 VanDerWaalsContact C-OG1 3.32Å; G16-T20 WeakPolarHBondContact CA-OG1 3.48Å | ||
| 17 | G | 72.9 | Confident | 70.3 | Confident | 41 Ų | 41 | 139.3 Ų | 139.3 | 42% | 0.423 | 72% | 0.721 | S | S | . | * | trans | -89.2 | 176 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | I15 G19 T20 | I15-G17 PolarHBondContact O-N 3.44Å; G17-G19 PolarHBondContact O-N 3.5Å; G17-T20 PolarHBondContact N-OG1 3.18Å; G17-T20 VanDerWaalsContact N-OG1 3.13Å; G17-T20 WeakPolarHBondContact O-CB 3.38Å; G17-T20 PolarHBondContact O-N 2.76Å; G17-T20 PolarHBondContact O-OG1 3.09Å | ||
| 18 | K | 64.3 | Low | 70.7 | Confident | 229 Ų | 229 | 141.5 Ų | 141.5 | 100% | 0.996 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.9 | 118 | 176.2 | -169 | 176.1 | -179.5 | -178.8 | 0 | 109.6 | ||
| 19 | G | 71.4 | Confident | 71.1 | Confident | 84 Ų | 84 | 141.5 Ų | 141.5 | 87% | 0.866 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 93.9 | -3.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | G17 | G17-G19 PolarHBondContact O-N 3.5Š|
| 20 | T | 74.2 | Confident | 71.5 | Confident | 79 Ų | 79 | 144.8 Ų | 144.8 | 49% | 0.485 | 74% | 0.74 | S | S | . | * | S | Bend | trans | -73.8 | 142.9 | 172.6 | 61.1 | 0 | 0 | 0 | 0 | 111.3 | G16 G17 R22 | G16-T20 VanDerWaalsContact C-OG1 3.32Å; G16-T20 WeakPolarHBondContact CA-OG1 3.48Å; G17-T20 PolarHBondContact N-OG1 3.18Å; G17-T20 VanDerWaalsContact N-OG1 3.13Å; G17-T20 WeakPolarHBondContact O-CB 3.38Å; G17-T20 PolarHBondContact O-N 2.76Å; G17-T20 PolarHBondContact O-OG1 3.09Å; T20-R22 PolarHBondContact O-N 3.47Å |
| 21 | A | 71.3 | Confident | 71.7 | Confident | 104 Ų | 104 | 142.3 Ų | 142.3 | 86% | 0.86 | 74% | 0.735 | S | S | * | * | trans | -61.1 | 109.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | R23 | A21-R23 PolarHBondContact O-N 3.17Š| ||
| 22 | R | 72.1 | Confident | 72.1 | Confident | 238 Ų | 238 | 142 Ų | 142 | 90% | 0.898 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 126.4 | 175.3 | -132.4 | 178.3 | -173.2 | -154.4 | 1.3 | 108.6 | T20 K24 | T20-R22 PolarHBondContact O-N 3.47Å; R22-K24 PolarHBondContact O-N 3.43Å |
| 23 | R | 75.4 | Confident | 72.6 | Confident | 242 Ų | 242 | 139.8 Ų | 139.8 | 91% | 0.913 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 117.8 | 171.7 | -167.8 | -176.9 | -140.5 | -175.1 | 6.1 | 107.9 | A21 K25 | A21-R23 PolarHBondContact O-N 3.17Å; R23-K25 PolarHBondContact O-N 3.28Å |
| 24 | K | 76.1 | Confident | 73.1 | Confident | 196 Ų | 196 | 138 Ų | 138 | 85% | 0.852 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 124.3 | 174.3 | -75 | -164.4 | 176.6 | -175.6 | 0 | 108.5 | R22 K26 | R22-K24 PolarHBondContact O-N 3.43Å; K24-K26 PolarHBondContact O-N 3.01Å |
| 25 | K | 79.7 | Confident | 74.1 | Confident | 184 Ų | 184 | 129.7 Ų | 129.7 | 80% | 0.8 | 70% | 0.698 | S | S | * | * | trans | -63.6 | 107.3 | 171.2 | -178.3 | -177.8 | -179.7 | -178.4 | 0 | 107.1 | R23 V27 | R23-K25 PolarHBondContact O-N 3.28Å; K25-V27 HydrophobicContact CD-CG2 3.99Å; K25-V27 HydrophobicContact CG-CG2 3.96Å; K25-V27 PolarHBondContact O-N 3.46Å; K25-V27 VanDerWaalsContact O-N 3.09Å | ||
| 26 | K | 81.6 | Confident | 75.1 | Confident | 183 Ų | 183 | 127.3 Ų | 127.3 | 80% | 0.796 | 69% | 0.687 | S | S | * | * | trans | -73.6 | 98.7 | 168 | -173.1 | -179.2 | -177.1 | -178.8 | 0 | 107 | K24 V28 | K24-K26 PolarHBondContact O-N 3.01Å; K26-V28 HydrophobicContact CD-CG2 4.05Å; K26-V28 HydrophobicContact CG-CG2 3.98Å; K26-V28 PolarHBondContact O-N 3.4Å | ||
| 27 | V | 79.1 | Confident | 76.1 | Confident | 88 Ų | 88 | 132.5 Ų | 132.5 | 53% | 0.533 | 69% | 0.692 | S | S | . | * | trans | -78.4 | 105.9 | 168.2 | -174.5 | 0 | 0 | 0 | 0 | 106.2 | K25 H29 | K25-V27 HydrophobicContact CD-CG2 3.99Å; K25-V27 HydrophobicContact CG-CG2 3.96Å; K25-V27 PolarHBondContact O-N 3.46Å; K25-V27 VanDerWaalsContact O-N 3.09Å; V27-H29 VanDerWaalsContact CG1-CE1 3.5Å; V27-H29 WeakPolarHBondContact CG1-CE1 3.23Å; V27-H29 PolarHBondContact O-N 3.1Å | ||
| 28 | V | 79.3 | Confident | 76.9 | Confident | 102 Ų | 102 | 137.3 Ų | 137.3 | 62% | 0.618 | 70% | 0.701 | S | S | * | * | trans | -83.8 | 113.6 | 173.8 | -178.3 | 0 | 0 | 0 | 0 | 107 | K26 K30 | K26-V28 HydrophobicContact CD-CG2 4.05Å; K26-V28 HydrophobicContact CG-CG2 3.98Å; K26-V28 PolarHBondContact O-N 3.4Å; V28-K30 PolarHBondContact O-N 2.76Å | ||
| 29 | H | 80.2 | Confident | 78.1 | Confident | 155 Ų | 155 | 130.5 Ų | 130.5 | 72% | 0.718 | 68% | 0.675 | S | S | * | * | trans | -79.9 | 114.7 | 167.5 | -65.3 | -24.5 | 0 | 0 | 0 | 108.1 | V27 T31 | V27-H29 VanDerWaalsContact CG1-CE1 3.5Å; V27-H29 WeakPolarHBondContact CG1-CE1 3.23Å; V27-H29 PolarHBondContact O-N 3.1Å; H29-T31 PolarHBondContact O-N 3.07Å | ||
| 30 | K | 76.4 | Confident | 79 | Confident | 187 Ų | 187 | 128.4 Ų | 128.4 | 81% | 0.813 | 64% | 0.643 | S | S | * | * | trans | -66.4 | 120 | 168.7 | -89 | -176.8 | 170.9 | -174.9 | 0 | 107.8 | V28 | V28-K30 PolarHBondContact O-N 2.76Š| ||
| 31 | T | 71 | Confident | 79.9 | Confident | 89 Ų | 89 | 126.2 Ų | 126.2 | 55% | 0.546 | 64% | 0.636 | S | S | . | * | trans | -89.7 | 116.3 | 171.9 | 43.3 | 0 | 0 | 0 | 0 | 108.8 | H29 T33 A34 | H29-T31 PolarHBondContact O-N 3.07Å; T31-T33 PolarHBondContact O-N 2.65Å; T31-T33 VanDerWaalsContact O-N 3.16Å; T31-A34 PolarHBondContact O-N 3.22Å | ||
| 32 | A | 71.7 | Confident | 80.8 | Confident | 84 Ų | 84 | 124.6 Ų | 124.6 | 69% | 0.694 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -60 | -25.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | A34 D35 D36 | A32-A34 PolarHBondContact O-N 3.14Å; A32-D35 PolarHBondContact O-N 3.3Å; A32-D36 PolarHBondContact O-N 3.5Å |
| 33 | T | 71.6 | Confident | 81.7 | Confident | 114 Ų | 114 | 114.4 Ų | 114.4 | 70% | 0.699 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.6 | -31.6 | -178.1 | 46 | 0 | 0 | 0 | 0 | 114.3 | T31 | T31-T33 PolarHBondContact O-N 2.65Å; T31-T33 VanDerWaalsContact O-N 3.16Å |
| 34 | A | 71.9 | Confident | 82.4 | Confident | 47 Ų | 47 | 110.4 Ų | 110.4 | 39% | 0.388 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -74 | -33.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T31 A32 K38 | T31-A34 PolarHBondContact O-N 3.22Å; A32-A34 PolarHBondContact O-N 3.14Å; A34-K38 PolarHBondContact O-N 3.36Å |
| 35 | D | 82.4 | Confident | 83.1 | Confident | 79 Ų | 79 | 109.9 Ų | 109.9 | 42% | 0.422 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -74.5 | -36.7 | -179.7 | -71 | -23.8 | 0 | 0 | 0 | 111.2 | A32 K37 K38 L39 | A32-D35 PolarHBondContact O-N 3.3Å; D35-K37 PolarHBondContact O-N 3.02Å; D35-K38 WeakPolarHBondContact O-CB 3.33Å; D35-K38 PolarHBondContact O-N 3.42Å; D35-K38 VanDerWaalsContact O-N 3.16Å; D35-L39 PolarHBondContact O-N 2.81Å |
| 36 | D | 86.1 | Confident | 83.6 | Confident | 87 Ų | 87 | 105.8 Ų | 105.8 | 47% | 0.465 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -60.8 | -43 | 175.6 | -175.2 | 55.6 | 0 | 0 | 0 | 112.4 | A32 K38 L39 Q40 | A32-D36 PolarHBondContact O-N 3.5Å; D36-K38 VanDerWaalsContact C-N 3.27Å; D36-K38 PolarHBondContact O-N 2.88Å; D36-L39 WeakPolarHBondContact O-CB 3.43Å; D36-L39 PolarHBondContact O-N 3.25Å; D36-L39 VanDerWaalsContact O-N 3.17Å; D36-Q40 WeakPolarHBondContact O-CG 3.44Å; D36-Q40 PolarHBondContact O-N 3.4Å |
| 37 | K | 89 | Confident | 84 | Confident | 171 Ų | 171 | 99.8 Ų | 99.8 | 74% | 0.743 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.2 | -35.7 | 176.8 | -170.4 | 172.5 | -177.2 | 176.5 | 0 | 112.5 | D35 G41 | D35-K37 PolarHBondContact O-N 3.02Å; K37-G41 PolarHBondContact O-N 2.98Å; K37-G41 VanDerWaalsContact O-N 3.09Å |
| 38 | K | 90.6 | Very high | 84.7 | Confident | 142 Ų | 142 | 96.3 Ų | 96.3 | 62% | 0.617 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -70.3 | -42.7 | 175.4 | -69.8 | 175.2 | -176.7 | 171.6 | 0 | 111.1 | A34 D35 D36 G41 S42 | A34-K38 PolarHBondContact O-N 3.36Å; D35-K38 WeakPolarHBondContact O-CB 3.33Å; D35-K38 PolarHBondContact O-N 3.42Å; D35-K38 VanDerWaalsContact O-N 3.16Å; D36-K38 VanDerWaalsContact C-N 3.27Å; D36-K38 PolarHBondContact O-N 2.88Å; K38-G41 WeakPolarHBondContact O-CA 3.5Å; K38-G41 PolarHBondContact O-N 3.37Å; K38-G41 VanDerWaalsContact O-N 3.15Å; K38-S42 PolarHBondContact O-N 2.87Å; K38-S42 PolarHBondContact O-OG 3.4Å |
| 39 | L | 89.9 | Confident | 85.3 | Confident | 86 Ų | 86 | 97 Ų | 97 | 45% | 0.45 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.2 | -47.6 | 176.7 | -173.9 | 121.2 | 0 | 0 | 0 | 111.1 | D35 D36 G41 S42 L43 | D35-L39 PolarHBondContact O-N 2.81Å; D36-L39 WeakPolarHBondContact O-CB 3.43Å; D36-L39 PolarHBondContact O-N 3.25Å; D36-L39 VanDerWaalsContact O-N 3.17Å; L39-G41 VanDerWaalsContact C-N 3.27Å; L39-G41 PolarHBondContact O-N 3.11Å; L39-S42 PolarHBondContact O-N 3.2Å; L39-S42 VanDerWaalsContact O-N 3.12Å; L39-L43 HydrophobicContact CD2-CD1 3.66Å; L39-L43 HydrophobicContact CG-CD1 4.22Å; L39-L43 WeakPolarHBondContact O-CB 3.32Å; L39-L43 WeakPolarHBondContact O-CG 3.42Å; L39-L43 PolarHBondContact O-N 3.47Å |
| 40 | Q | 89.9 | Confident | 85.9 | Confident | 39 Ų | 39 | 93.9 Ų | 93.9 | 18% | 0.182 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -59.2 | -38.1 | 173.6 | -68.4 | -63.2 | -32.6 | 0 | 0 | 112.2 | D36 K44 Q75 | D36-Q40 WeakPolarHBondContact O-CG 3.44Å; D36-Q40 PolarHBondContact O-N 3.4Å; Q40-K44 WeakPolarHBondContact O-CG 3.33Å; Q40-K44 PolarHBondContact O-N 3.04Å; Q40-Q75 VanDerWaalsContact OE1-NE2 3.14Å |
| 41 | G | 91.8 | Very high | 86.7 | Confident | 34 Ų | 34 | 88.1 Ų | 88.1 | 35% | 0.351 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K37 K38 L39 K45 | K37-G41 PolarHBondContact O-N 2.98Å; K37-G41 VanDerWaalsContact O-N 3.09Å; K38-G41 WeakPolarHBondContact O-CA 3.5Å; K38-G41 PolarHBondContact O-N 3.37Å; K38-G41 VanDerWaalsContact O-N 3.15Å; L39-G41 VanDerWaalsContact C-N 3.27Å; L39-G41 PolarHBondContact O-N 3.11Å; G41-K45 WeakPolarHBondContact O-CG 3.49Å; G41-K45 PolarHBondContact O-N 3.44Å |
| 42 | S | 91 | Very high | 87.8 | Confident | 69 Ų | 69 | 88 Ų | 88 | 48% | 0.483 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.9 | -43 | 176.2 | -63.9 | 0 | 0 | 0 | 0 | 112.2 | K38 L39 K44 K45 L46 | K38-S42 PolarHBondContact O-N 2.87Å; K38-S42 PolarHBondContact O-OG 3.4Å; L39-S42 PolarHBondContact O-N 3.2Å; L39-S42 VanDerWaalsContact O-N 3.12Å; S42-K44 PolarHBondContact O-N 2.82Å; S42-K45 WeakPolarHBondContact O-CB 3.49Å; S42-K45 PolarHBondContact O-N 3.33Å; S42-K45 VanDerWaalsContact O-N 3.14Å; S42-L46 PolarHBondContact O-N 3.28Å |
| 43 | L | 90.9 | Very high | 88.8 | Confident | 25 Ų | 25 | 87.6 Ų | 87.6 | 13% | 0.131 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -60 | -44.8 | 177.2 | -77 | 176.5 | 0 | 0 | 0 | 111.6 | L39 K45 L46 V48 A84 | L39-L43 HydrophobicContact CD2-CD1 3.66Å; L39-L43 HydrophobicContact CG-CD1 4.22Å; L39-L43 WeakPolarHBondContact O-CB 3.32Å; L39-L43 WeakPolarHBondContact O-CG 3.42Å; L39-L43 PolarHBondContact O-N 3.47Å; L43-K45 PolarHBondContact O-N 3.21Å; L43-L46 WeakPolarHBondContact O-CB 3.24Å; L43-L46 PolarHBondContact O-N 3.48Å; L43-V48 HydrophobicContact CB-CG2 3.71Å; L43-V48 HydrophobicContact CD2-CG2 4.39Å; L43-V48 WeakPolarHBondContact O-CG2 3.2Å; L43-A84 HydrophobicContact CD1-CB 4.09Å; L43-A84 HydrophobicContact CD2-CB 3.68Å |
| 44 | K | 90.1 | Very high | 89.9 | Confident | 158 Ų | 158 | 84.7 Ų | 84.7 | 69% | 0.687 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -58.4 | -32.9 | 174.9 | -76.8 | -180 | 179.8 | -172.1 | 0 | 113.8 | Q40 S42 L46 A47 | Q40-K44 WeakPolarHBondContact O-CG 3.33Å; Q40-K44 PolarHBondContact O-N 3.04Å; S42-K44 PolarHBondContact O-N 2.82Å; K44-L46 VanDerWaalsContact C-N 3.25Å; K44-L46 PolarHBondContact O-N 3.42Å; K44-A47 PolarHBondContact O-N 3.16Å; K44-A47 VanDerWaalsContact O-N 3.1Å |
| 45 | K | 90.9 | Very high | 91 | Very high | 185 Ų | 185 | 89.4 Ų | 89.4 | 80% | 0.804 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -67.7 | -26.8 | 176.6 | -68.2 | 174.9 | -178.9 | -178.4 | 0 | 112.7 | G41 S42 L43 A47 | G41-K45 WeakPolarHBondContact O-CG 3.49Å; G41-K45 PolarHBondContact O-N 3.44Å; S42-K45 WeakPolarHBondContact O-CB 3.49Å; S42-K45 PolarHBondContact O-N 3.33Å; S42-K45 VanDerWaalsContact O-N 3.14Å; L43-K45 PolarHBondContact O-N 3.21Å; K45-A47 PolarHBondContact O-N 2.73Å |
| 46 | L | 89.4 | Confident | 91.5 | Very high | 97 Ų | 97 | 89.3 Ų | 89.3 | 51% | 0.508 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | 8.6 | 174 | -63.2 | 172.2 | 0 | 0 | 0 | 112.6 | S42 L43 K44 V48 | S42-L46 PolarHBondContact O-N 3.28Å; L43-L46 WeakPolarHBondContact O-CB 3.24Å; L43-L46 PolarHBondContact O-N 3.48Å; K44-L46 VanDerWaalsContact C-N 3.25Å; K44-L46 PolarHBondContact O-N 3.42Å; L46-V48 HydrophobicContact CB-CG1 4.2Å; L46-V48 PolarHBondContact O-N 3.01Å |
| 47 | A | 90.7 | Very high | 91.9 | Very high | 58 Ų | 58 | 86.6 Ų | 86.6 | 48% | 0.479 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 36.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | K44 K45 | K44-A47 PolarHBondContact O-N 3.16Å; K44-A47 VanDerWaalsContact O-N 3.1Å; K45-A47 PolarHBondContact O-N 2.73Å |
| 48 | V | 93.2 | Very high | 92.1 | Very high | 14 Ų | 14 | 79.9 Ų | 79.9 | 9% | 0.085 | 45% | 0.446 | C | S | . | . | trans | -75 | 132.1 | 173.9 | -59.5 | 0 | 0 | 0 | 0 | 110.5 | L43 L46 Q75 | L43-V48 HydrophobicContact CB-CG2 3.71Å; L43-V48 HydrophobicContact CD2-CG2 4.39Å; L43-V48 WeakPolarHBondContact O-CG2 3.2Å; L46-V48 HydrophobicContact CB-CG1 4.2Å; L46-V48 PolarHBondContact O-N 3.01Å; V48-Q75 HydrophobicContact CB-CB 4.14Å; V48-Q75 HydrophobicContact CG2-CB 4Å | ||
| 49 | N | 92.6 | Very high | 92.3 | Very high | 117 Ų | 117 | 76.8 Ų | 76.8 | 63% | 0.626 | 44% | 0.435 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 146 | 179.3 | -67.2 | -45.4 | 0 | 0 | 0 | 110.1 | Q75 A76 | N49-Q75 CarbonylContact O-C 3.6Å; N49-Q75 WeakPolarHBondContact O-CA 3.48Å; N49-A76 PolarHBondContact N-O 3.47Å; N49-A76 PolarHBondContact O-N 3.42Å |
| 50 | N | 92.7 | Very high | 92.3 | Very high | 90 Ų | 90 | 76.1 Ų | 76.1 | 48% | 0.481 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 127.4 | 178.8 | -163.2 | 87.5 | 0 | 0 | 0 | 110.4 | K73 Q75 | N50-K73 WeakPolarHBondContact OD1-CE 3.43Å; N50-Q75 HydrophobicContact CB-CG 4.47Å |
| 51 | I | 92.8 | Very high | 92.3 | Very high | 65 Ų | 65 | 79.1 Ų | 79.1 | 33% | 0.333 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 124.2 | 172.1 | -57.4 | 166.8 | 0 | 0 | 0 | 107.6 | I54 V74 A76 | I51-I54 HydrophobicContact CB-CG1 4.37Å; I51-I54 HydrophobicContact CG2-CD1 3.78Å; I51-I54 HydrophobicContact CG2-CG1 3.97Å; I51-V74 HydrophobicContact CD1-CG1 4.43Å; I51-V74 PolarHBondContact N-O 3.37Å; I51-A76 HydrophobicContact CD1-CB 3.52Å; I51-A76 HydrophobicContact CG1-CB 4.36Å |
| 52 | A | 93.6 | Very high | 92.1 | Very high | 87 Ų | 87 | 85.1 Ų | 85.1 | 72% | 0.719 | 47% | 0.465 | S | S | * | . | P | Polyproline II helix | trans | -92.5 | 156.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 53 | G | 93.4 | Very high | 91.9 | Very high | 75 Ų | 75 | 86 Ų | 86 | 77% | 0.773 | 46% | 0.464 | S | S | * | . | trans | 76.6 | 20.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115 | E55 | G53-E55 PolarHBondContact O-N 3.15Š| ||
| 54 | I | 95.2 | Very high | 91.6 | Very high | 53 Ų | 53 | 85.4 Ų | 85.4 | 27% | 0.272 | 46% | 0.463 | S | S | . | . | trans | -76.3 | 117.3 | 171.6 | -58.5 | -57.8 | 0 | 0 | 0 | 109 | I51 E56 V57 P72 V74 | I51-I54 HydrophobicContact CB-CG1 4.37Å; I51-I54 HydrophobicContact CG2-CD1 3.78Å; I51-I54 HydrophobicContact CG2-CG1 3.97Å; I54-E56 WeakPolarHBondContact CG2-O 3.49Å; I54-V57 HydrophobicContact CG2-CG2 3.83Å; I54-P72 HydrophobicContact CG2-CG 4.04Å; I54-V74 HydrophobicContact CB-CG2 4.17Å; I54-V74 HydrophobicContact CG1-CB 4.15Å; I54-V74 HydrophobicContact CG1-CG2 4.04Å; I54-V74 HydrophobicContact CG2-CG2 3.96Å | ||
| 55 | E | 93.9 | Very high | 91.6 | Very high | 147 Ų | 147 | 78.8 Ų | 78.8 | 69% | 0.687 | 44% | 0.436 | S | S | * | . | trans | -80.5 | -43.6 | 178.2 | -65.5 | -177.5 | 175.9 | 0 | 0 | 111.2 | G53 N71 | G53-E55 PolarHBondContact O-N 3.15Å; E55-N71 VanDerWaalsContact O-CA 3.25Å; E55-N71 WeakPolarHBondContact O-CA 3.19Å; E55-N71 PolarHBondContact O-N 3.01Å; E55-N71 PolarHBondContact O-ND2 2.84Å | ||
| 56 | E | 93 | Very high | 91.7 | Very high | 77 Ų | 77 | 70 Ų | 70 | 36% | 0.36 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 155.4 | -178.6 | 53.3 | 177 | -147.5 | 0 | 0 | 112.3 | I54 N58 H68 F69 Q104 | I54-E56 WeakPolarHBondContact CG2-O 3.49Å; E56-N58 PolarHBondContact OE1-ND2 2.87Å; E56-H68 IonicContact OE2-CE1 2.87Å; E56-F69 VanDerWaalsContact CA-O 3.24Å; E56-F69 WeakPolarHBondContact CA-O 3.39Å; E56-Q104 PolarHBondContact OE1-NE2 3.49Å |
| 57 | V | 94.6 | Very high | 92 | Very high | 30 Ų | 30 | 66.7 Ų | 66.7 | 18% | 0.182 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 128.9 | 167 | 177.9 | 0 | 0 | 0 | 0 | 108.8 | I54 F69 P72 V74 I85 | I54-V57 HydrophobicContact CG2-CG2 3.83Å; V57-F69 HydrophobicContact CB-CB 4.27Å; V57-F69 HydrophobicContact CB-CD2 4.43Å; V57-F69 PolarHBondContact N-O 3.16Å; V57-F69 PolarHBondContact O-N 3.37Å; V57-P72 HydrophobicContact CB-CG 4.15Å; V57-P72 HydrophobicContact CG2-CG 3.65Å; V57-V74 HydrophobicContact CG2-CG2 3.92Å; V57-I85 HydrophobicContact CG1-CD1 3.72Å; V57-I85 HydrophobicContact CG1-CG1 4.47Å |
| 58 | N | 94.1 | Very high | 92.2 | Very high | 29 Ų | 29 | 64.4 Ų | 64.4 | 16% | 0.155 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 122 | 179.5 | -65.3 | -46.7 | 0 | 0 | 0 | 109.6 | E56 V66 H68 I101 Q104 | E56-N58 PolarHBondContact OE1-ND2 2.87Å; N58-V66 HydrophobicContact CB-CG1 3.94Å; N58-H68 PolarHBondContact OD1-ND1 3.37Å; N58-I101 HydrophobicContact CB-CD1 4.17Å; N58-Q104 PolarHBondContact ND2-OE1 3.29Å |
| 59 | M | 93.8 | Very high | 92.4 | Very high | 77 Ų | 77 | 64.7 Ų | 64.7 | 38% | 0.379 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 103.3 | 168.5 | -54.4 | -176.9 | 179.4 | 0 | 0 | 108.5 | V66 I67 F69 I85 | M59-V66 WeakPolarHBondContact O-CA 3.25Å; M59-I67 HydrophobicContact CB-CB 4.04Å; M59-I67 HydrophobicContact CB-CD1 4.29Å; M59-I67 HydrophobicContact CB-CG1 4.29Å; M59-I67 PolarHBondContact N-O 2.9Å; M59-I67 PolarHBondContact O-N 2.88Å; M59-I67 HydrophobicContact SD-CD1 4.11Å; M59-F69 HydrophobicContact CE-CE2 3.95Å; M59-F69 HydrophobicContact CE-CZ 4.48Å; M59-F69 HydrophobicContact CG-CE2 4.49Å; M59-F69 HydrophobicContact SD-CE2 4.22Å; M59-I85 HydrophobicContact CE-CD1 3.42Å; M59-I85 VanDerWaalsContact CE-CD1 3.42Å |
| 60 | I | 91.4 | Very high | 92.5 | Very high | 72 Ų | 72 | 64 Ų | 64 | 37% | 0.369 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 124.9 | 178.6 | -60.5 | 147.7 | 0 | 0 | 0 | 108.5 | V66 L105 | I60-V66 HydrophobicContact CG1-CG2 4.31Å; I60-L105 HydrophobicContact CD1-CD2 3.5Å; I60-L105 VanDerWaalsContact CD1-CD2 3.5Å; I60-L105 HydrophobicContact CG1-CD2 4.11Å; I60-L105 HydrophobicContact CG2-CD2 4.29Å |
| 61 | R | 90 | Very high | 92.6 | Very high | 103 Ų | 103 | 65 Ų | 65 | 39% | 0.389 | 36% | 0.362 | S | S | . | . | trans | -98.6 | 164.2 | 174 | -63.1 | -175.2 | -171.4 | 156.6 | -2.7 | 110.4 | D63 T65 I67 | R61-D63 VanDerWaalsContact C-N 3.32Å; R61-D63 WeakPolarHBondContact CB-OD1 3.46Å; R61-T65 PolarHBondContact N-O 2.88Å; R61-I67 VanDerWaalsContact CZ-CG1 3.5Å | ||
| 62 | D | 87.1 | Confident | 92.8 | Very high | 160 Ų | 160 | 62.3 Ų | 62.3 | 86% | 0.856 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -22 | 177.2 | 56.2 | -20.6 | 0 | 0 | 0 | 113.4 | G64 | D62-G64 PolarHBondContact O-N 2.84Š|
| 63 | D | 85.9 | Confident | 92.8 | Very high | 88 Ų | 88 | 63.4 Ų | 63.4 | 47% | 0.471 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -1.9 | 176.7 | 64.9 | 5 | 0 | 0 | 0 | 114.6 | R61 T65 | R61-D63 VanDerWaalsContact C-N 3.32Å; R61-D63 WeakPolarHBondContact CB-OD1 3.46Å; D63-T65 VanDerWaalsContact C-N 3.34Å; D63-T65 VanDerWaalsContact CG-OG1 3.23Å; D63-T65 WeakPolarHBondContact OD1-CA 3.3Å; D63-T65 VanDerWaalsContact OD1-CB 3.3Å; D63-T65 WeakPolarHBondContact OD1-CB 2.95Å; D63-T65 PolarHBondContact OD1-N 2.88Å; D63-T65 PolarHBondContact OD1-OG1 2.78Å; D63-T65 PolarHBondContact OD2-OG1 2.84Å; D63-T65 VanDerWaalsContact OD2-OG1 3.14Å |
| 64 | G | 84.8 | Confident | 92.9 | Very high | 11 Ų | 11 | 60.1 Ų | 60.1 | 11% | 0.113 | 30% | 0.302 | C | S | . | . | S | Bend | trans | 83 | 8.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | D62 L94 | D62-G64 PolarHBondContact O-N 2.84Å; G64-L94 WeakPolarHBondContact O-CB 3.3Å; G64-L94 PolarHBondContact O-N 2.9Å |
| 65 | T | 90.8 | Very high | 92.9 | Very high | 19 Ų | 19 | 58.5 Ų | 58.5 | 12% | 0.117 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 156.4 | 171.9 | 73.1 | 0 | 0 | 0 | 0 | 111.2 | R61 D63 T91 K92 | R61-T65 PolarHBondContact N-O 2.88Å; D63-T65 VanDerWaalsContact C-N 3.34Å; D63-T65 VanDerWaalsContact CG-OG1 3.23Å; D63-T65 WeakPolarHBondContact OD1-CA 3.3Å; D63-T65 VanDerWaalsContact OD1-CB 3.3Å; D63-T65 WeakPolarHBondContact OD1-CB 2.95Å; D63-T65 PolarHBondContact OD1-N 2.88Å; D63-T65 PolarHBondContact OD1-OG1 2.78Å; D63-T65 PolarHBondContact OD2-OG1 2.84Å; D63-T65 VanDerWaalsContact OD2-OG1 3.14Å; T65-T91 HydrophobicContact CG2-CG2 4.42Å; T65-K92 WeakPolarHBondContact CA-O 3.21Å |
| 66 | V | 93.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 128 | 175.5 | -178.2 | 0 | 0 | 0 | 0 | 108.8 | N58 M59 I60 H68 T91 K92 L94 M97 | N58-V66 HydrophobicContact CB-CG1 3.94Å; M59-V66 WeakPolarHBondContact O-CA 3.25Å; I60-V66 HydrophobicContact CG1-CG2 4.31Å; V66-H68 PolarHBondContact O-N 2.82Å; V66-T91 WeakPolarHBondContact O-CA 3.44Å; V66-K92 PolarHBondContact N-O 2.89Å; V66-K92 PolarHBondContact O-N 3.42Å; V66-L94 HydrophobicContact CG2-CB 4.3Å; V66-L94 HydrophobicContact CG2-CD1 3.58Å; V66-M97 HydrophobicContact CB-SD 4.5Å; V66-M97 HydrophobicContact CG1-SD 4.31Å |
| 67 | I | 95.3 | Very high | 93 | Very high | 28 Ų | 28 | 48.1 Ų | 48.1 | 14% | 0.144 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 106.8 | 163.4 | -41.1 | 175.7 | 0 | 0 | 0 | 107.2 | M59 R61 F69 A89 E90 | M59-I67 HydrophobicContact CB-CB 4.04Å; M59-I67 HydrophobicContact CB-CD1 4.29Å; M59-I67 HydrophobicContact CB-CG1 4.29Å; M59-I67 PolarHBondContact N-O 2.9Å; M59-I67 PolarHBondContact O-N 2.88Å; M59-I67 HydrophobicContact SD-CD1 4.11Å; R61-I67 VanDerWaalsContact CZ-CG1 3.5Å; I67-F69 HydrophobicContact CB-CE2 4.31Å; I67-F69 HydrophobicContact CG2-CD2 4.31Å; I67-F69 HydrophobicContact CG2-CE2 3.58Å; I67-F69 HydrophobicContact CG2-CZ 4Å; I67-A89 HydrophobicContact CG2-CB 3.87Å; I67-E90 CarbonylContact C-O 3.57Å |
| 68 | H | 95.1 | Very high | 92.7 | Very high | 11 Ų | 11 | 53.1 Ų | 53.1 | 5% | 0.051 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 133.9 | 179.3 | 177.5 | 71.8 | 0 | 0 | 0 | 110.6 | E56 N58 V66 E90 K92 M97 | E56-H68 IonicContact OE2-CE1 2.87Å; N58-H68 PolarHBondContact OD1-ND1 3.37Å; V66-H68 PolarHBondContact O-N 2.82Å; H68-E90 PolarHBondContact N-O 3.4Å; H68-E90 PolarHBondContact O-N 2.62Å; H68-K92 HydrophobicContact CB-CD 4.34Å; H68-M97 HydrophobicContact CB-SD 4.27Å |
| 69 | F | 96.9 | Very high | 92.5 | Very high | 20 Ų | 20 | 57.1 Ų | 57.1 | 9% | 0.088 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 122.1 | 170.5 | -65.1 | -97.5 | 0 | 0 | 0 | 108.9 | E56 V57 M59 I67 P72 I85 H88 A89 | E56-F69 VanDerWaalsContact CA-O 3.24Å; E56-F69 WeakPolarHBondContact CA-O 3.39Å; V57-F69 HydrophobicContact CB-CB 4.27Å; V57-F69 HydrophobicContact CB-CD2 4.43Å; V57-F69 PolarHBondContact N-O 3.16Å; V57-F69 PolarHBondContact O-N 3.37Å; M59-F69 HydrophobicContact CE-CE2 3.95Å; M59-F69 HydrophobicContact CE-CZ 4.48Å; M59-F69 HydrophobicContact CG-CE2 4.49Å; M59-F69 HydrophobicContact SD-CE2 4.22Å; I67-F69 HydrophobicContact CB-CE2 4.31Å; I67-F69 HydrophobicContact CG2-CD2 4.31Å; I67-F69 HydrophobicContact CG2-CE2 3.58Å; I67-F69 HydrophobicContact CG2-CZ 4Å; F69-P72 HydrophobicContact CB-CB 3.93Å; F69-P72 HydrophobicContact CB-CG 3.84Å; F69-I85 HydrophobicContact CD1-CG2 4.02Å; F69-I85 HydrophobicContact CD2-CG2 4.31Å; F69-I85 HydrophobicContact CE1-CG2 4.16Å; F69-I85 HydrophobicContact CE2-CG2 4.47Å; F69-I85 HydrophobicContact CG-CG2 4.09Å; F69-I85 HydrophobicContact CZ-CG2 4.39Å; F69-H88 VanDerWaalsContact CD1-O 3.29Å; F69-H88 WeakPolarHBondContact CD1-O 3.29Å; F69-A89 HydrophobicContact CD1-CB 4.11Å; F69-A89 HydrophobicContact CE1-CB 3.47Å; F69-A89 VanDerWaalsContact CE1-CB 3.47Å; F69-A89 HydrophobicContact CE2-CB 4.33Å; F69-A89 HydrophobicContact CZ-CB 3.59Å |
| 70 | N | 95.4 | Very high | 92.3 | Very high | 102 Ų | 102 | 55.8 Ų | 55.8 | 55% | 0.545 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 129.3 | 173.8 | -168.9 | 5.5 | 0 | 0 | 0 | 110.4 | P72 | N70-P72 VanDerWaalsContact C-CD 3.47Å |
| 71 | N | 95.1 | Very high | 92.3 | Very high | 111 Ų | 111 | 58.8 Ų | 58.8 | 59% | 0.594 | 32% | 0.319 | S | S | * | . | S | Bend | trans | 40.7 | 54 | -174.9 | -58.1 | 119.5 | 0 | 0 | 0 | 114.5 | E55 | E55-N71 VanDerWaalsContact O-CA 3.25Å; E55-N71 WeakPolarHBondContact O-CA 3.19Å; E55-N71 PolarHBondContact O-N 3.01Å; E55-N71 PolarHBondContact O-ND2 2.84Å |
| 72 | P | 96.4 | Very high | 92.4 | Very high | 9 Ų | 9 | 56.3 Ų | 56.3 | 6% | 0.058 | 32% | 0.315 | C | S | . | . | trans | -73.3 | 155.7 | -177.9 | 29.9 | -33.2 | 0 | 0 | 0 | 112.6 | I54 V57 F69 N70 V74 I85 | I54-P72 HydrophobicContact CG2-CG 4.04Å; V57-P72 HydrophobicContact CB-CG 4.15Å; V57-P72 HydrophobicContact CG2-CG 3.65Å; F69-P72 HydrophobicContact CB-CB 3.93Å; F69-P72 HydrophobicContact CB-CG 3.84Å; N70-P72 VanDerWaalsContact C-CD 3.47Å; P72-V74 HydrophobicContact CB-CG2 4.32Å; P72-V74 HydrophobicContact CG-CG2 4.02Å; P72-V74 PolarHBondContact O-N 3.04Å; P72-I85 HydrophobicContact CB-CG2 3.94Å; P72-I85 HydrophobicContact CG-CG2 4.45Å | ||
| 73 | K | 94.6 | Very high | 92.8 | Very high | 109 Ų | 109 | 54.6 Ų | 54.6 | 47% | 0.474 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 113.9 | 164.5 | -177.2 | -178.8 | -177.2 | -179 | 0 | 109 | N50 T86 | N50-K73 WeakPolarHBondContact OD1-CE 3.43Å; K73-T86 PolarHBondContact N-O 2.87Å; K73-T86 PolarHBondContact O-N 2.77Å; K73-T86 PolarHBondContact O-OG1 2.87Å |
| 74 | V | 95.4 | Very high | 93.1 | Very high | 7 Ų | 7 | 51.2 Ų | 51.2 | 4% | 0.042 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 130.5 | -179.2 | -175.9 | 0 | 0 | 0 | 0 | 110.4 | I51 I54 V57 P72 I85 | I51-V74 HydrophobicContact CD1-CG1 4.43Å; I51-V74 PolarHBondContact N-O 3.37Å; I54-V74 HydrophobicContact CB-CG2 4.17Å; I54-V74 HydrophobicContact CG1-CB 4.15Å; I54-V74 HydrophobicContact CG1-CG2 4.04Å; I54-V74 HydrophobicContact CG2-CG2 3.96Å; V57-V74 HydrophobicContact CG2-CG2 3.92Å; P72-V74 HydrophobicContact CB-CG2 4.32Å; P72-V74 HydrophobicContact CG-CG2 4.02Å; P72-V74 PolarHBondContact O-N 3.04Å; V74-I85 HydrophobicContact CG1-CG1 4.35Å; V74-I85 HydrophobicContact CG2-CG1 4.24Å |
| 75 | Q | 94.3 | Very high | 93.6 | Very high | 18 Ų | 18 | 52.9 Ų | 52.9 | 8% | 0.084 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 134.6 | 167.1 | -60.2 | 174.2 | -16.8 | 0 | 0 | 108 | Q40 V48 N49 N50 F83 A84 | Q40-Q75 VanDerWaalsContact OE1-NE2 3.14Å; V48-Q75 HydrophobicContact CB-CB 4.14Å; V48-Q75 HydrophobicContact CG2-CB 4Å; N49-Q75 CarbonylContact O-C 3.6Å; N49-Q75 WeakPolarHBondContact O-CA 3.48Å; N50-Q75 HydrophobicContact CB-CG 4.47Å; Q75-F83 CarbonylContact O-C 3.59Å; Q75-A84 HydrophobicContact CB-CB 4.3Å; Q75-A84 PolarHBondContact N-O 3.42Å; Q75-A84 PolarHBondContact O-N 2.89Å |
| 76 | A | 94.8 | Very high | 93.7 | Very high | 5 Ų | 5 | 54.5 Ų | 54.5 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 148.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N49 I51 T82 F83 | N49-A76 PolarHBondContact N-O 3.47Å; N49-A76 PolarHBondContact O-N 3.42Å; I51-A76 HydrophobicContact CD1-CB 3.52Å; I51-A76 HydrophobicContact CG1-CB 4.36Å; A76-T82 CarbonylContact C-O 3.57Å; A76-T82 VanDerWaalsContact CA-O 3.3Å; A76-T82 WeakPolarHBondContact CA-O 3.47Å; A76-F83 HydrophobicContact CB-CD1 3.39Å; A76-F83 HydrophobicContact CB-CE1 3.6Å; A76-F83 HydrophobicContact CB-CG 4.2Å |
| 77 | S | 94 | Very high | 93.7 | Very high | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.014 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 105.7 | 165.7 | 179.5 | 0 | 0 | 0 | 0 | 107.4 | S79 A80 N81 T82 | S77-S79 VanDerWaalsContact C-N 3.27Å; S77-S79 PolarHBondContact O-N 3.01Å; S77-S79 PolarHBondContact OG-OG 3.21Å; S77-S79 VanDerWaalsContact OG-OG 3.11Å; S77-A80 CarbonylContact O-C 3.44Å; S77-A80 PolarHBondContact O-N 2.86Å; S77-A80 PolarHBondContact OG-N 2.74Å; S77-N81 PolarHBondContact O-N 3.11Å; S77-T82 PolarHBondContact N-O 3.27Å; S77-T82 PolarHBondContact O-N 3.46Å; S77-T82 VanDerWaalsContact O-N 3.12Å |
| 78 | L | 88.4 | Confident | 93.6 | Very high | 134 Ų | 134 | 62 Ų | 62 | 70% | 0.702 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -35.9 | 177.2 | -110.9 | 69.7 | 0 | 0 | 0 | 111.3 | A80 N81 | L78-A80 VanDerWaalsContact C-N 3.26Å; L78-A80 PolarHBondContact O-N 3.12Å; L78-N81 PolarHBondContact O-N 3Å; L78-N81 PolarHBondContact O-OD1 2.93Å |
| 79 | S | 90.1 | Very high | 93.6 | Very high | 114 Ų | 114 | 63.9 Ų | 63.9 | 80% | 0.797 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -29.6 | 178 | 52.2 | 0 | 0 | 0 | 0 | 113.1 | S77 | S77-S79 VanDerWaalsContact C-N 3.27Å; S77-S79 PolarHBondContact O-N 3.01Å; S77-S79 PolarHBondContact OG-OG 3.21Å; S77-S79 VanDerWaalsContact OG-OG 3.11Å |
| 80 | A | 89.7 | Confident | 93.5 | Very high | 49 Ų | 49 | 66.4 Ų | 66.4 | 41% | 0.405 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.9 | 5.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | S77 L78 T82 | S77-A80 CarbonylContact O-C 3.44Å; S77-A80 PolarHBondContact O-N 2.86Å; S77-A80 PolarHBondContact OG-N 2.74Å; L78-A80 VanDerWaalsContact C-N 3.26Å; L78-A80 PolarHBondContact O-N 3.12Å; A80-T82 PolarHBondContact O-N 3.27Å; A80-T82 PolarHBondContact O-OG1 3.14Å |
| 81 | N | 91.3 | Very high | 93.5 | Very high | 135 Ų | 135 | 65.8 Ų | 65.8 | 72% | 0.722 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.5 | 36.7 | -173.4 | -65.9 | -33.2 | 0 | 0 | 0 | 113.3 | S77 L78 | S77-N81 PolarHBondContact O-N 3.11Å; L78-N81 PolarHBondContact O-N 3Å; L78-N81 PolarHBondContact O-OD1 2.93Å |
| 82 | T | 92 | Very high | 93.4 | Very high | 50 Ų | 50 | 63.2 Ų | 63.2 | 31% | 0.307 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 125.1 | -174.1 | -62.5 | 0 | 0 | 0 | 0 | 109.7 | A76 S77 A80 | A76-T82 CarbonylContact C-O 3.57Å; A76-T82 VanDerWaalsContact CA-O 3.3Å; A76-T82 WeakPolarHBondContact CA-O 3.47Å; S77-T82 PolarHBondContact N-O 3.27Å; S77-T82 PolarHBondContact O-N 3.46Å; S77-T82 VanDerWaalsContact O-N 3.12Å; A80-T82 PolarHBondContact O-N 3.27Å; A80-T82 PolarHBondContact O-OG1 3.14Å |
| 83 | F | 94.5 | Very high | 93.2 | Very high | 124 Ų | 124 | 66.8 Ų | 66.8 | 54% | 0.544 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 128.5 | 177.6 | -61.2 | -95.5 | 0 | 0 | 0 | 109.5 | Q75 A76 | Q75-F83 CarbonylContact O-C 3.59Å; A76-F83 HydrophobicContact CB-CD1 3.39Å; A76-F83 HydrophobicContact CB-CE1 3.6Å; A76-F83 HydrophobicContact CB-CG 4.2Å |
| 84 | A | 94.1 | Very high | 92.8 | Very high | 17 Ų | 17 | 62 Ų | 62 | 14% | 0.14 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 111.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | L43 Q75 | L43-A84 HydrophobicContact CD1-CB 4.09Å; L43-A84 HydrophobicContact CD2-CB 3.68Å; Q75-A84 HydrophobicContact CB-CB 4.3Å; Q75-A84 PolarHBondContact N-O 3.42Å; Q75-A84 PolarHBondContact O-N 2.89Å |
| 85 | I | 94.9 | Very high | 92.4 | Very high | 47 Ų | 47 | 64.7 Ų | 64.7 | 24% | 0.241 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 126.3 | -177.2 | -62 | 149.4 | 0 | 0 | 0 | 107.6 | V57 M59 F69 P72 V74 | V57-I85 HydrophobicContact CG1-CD1 3.72Å; V57-I85 HydrophobicContact CG1-CG1 4.47Å; M59-I85 HydrophobicContact CE-CD1 3.42Å; M59-I85 VanDerWaalsContact CE-CD1 3.42Å; F69-I85 HydrophobicContact CD1-CG2 4.02Å; F69-I85 HydrophobicContact CD2-CG2 4.31Å; F69-I85 HydrophobicContact CE1-CG2 4.16Å; F69-I85 HydrophobicContact CE2-CG2 4.47Å; F69-I85 HydrophobicContact CG-CG2 4.09Å; F69-I85 HydrophobicContact CZ-CG2 4.39Å; P72-I85 HydrophobicContact CB-CG2 3.94Å; P72-I85 HydrophobicContact CG-CG2 4.45Å; V74-I85 HydrophobicContact CG1-CG1 4.35Å; V74-I85 HydrophobicContact CG2-CG1 4.24Å |
| 86 | T | 92.4 | Very high | 92.1 | Very high | 52 Ų | 52 | 70.1 Ų | 70.1 | 32% | 0.319 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 121.6 | 178.8 | 40.2 | 0 | 0 | 0 | 0 | 109.4 | K73 | K73-T86 PolarHBondContact N-O 2.87Å; K73-T86 PolarHBondContact O-N 2.77Å; K73-T86 PolarHBondContact O-OG1 2.87Å |
| 87 | G | 92.8 | Very high | 91.7 | Very high | 51 Ų | 51 | 71.5 Ų | 71.5 | 53% | 0.526 | 41% | 0.405 | S | S | . | . | S | Bend | trans | 170.3 | 177.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 88 | H | 94.3 | Very high | 91.3 | Very high | 135 Ų | 135 | 74.8 Ų | 74.8 | 63% | 0.625 | 42% | 0.422 | S | S | * | . | trans | -72 | 130.2 | 171.2 | -175.8 | -100.4 | 0 | 0 | 0 | 109.6 | F69 E90 | F69-H88 VanDerWaalsContact CD1-O 3.29Å; F69-H88 WeakPolarHBondContact CD1-O 3.29Å; H88-E90 VanDerWaalsContact CE1-CG 3.44Å; H88-E90 WeakPolarHBondContact CE1-CG 3.43Å; H88-E90 IonicContact CE1-OE1 3.52Å; H88-E90 IonicContact ND1-OE1 3.42Å; H88-E90 PolarHBondContact ND1-OE1 3.1Å | ||
| 89 | A | 95.4 | Very high | 91.2 | Very high | 50 Ų | 50 | 73.4 Ų | 73.4 | 41% | 0.413 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 126.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | I67 F69 | I67-A89 HydrophobicContact CG2-CB 3.87Å; F69-A89 HydrophobicContact CD1-CB 4.11Å; F69-A89 HydrophobicContact CE1-CB 3.47Å; F69-A89 VanDerWaalsContact CE1-CB 3.47Å; F69-A89 HydrophobicContact CE2-CB 4.33Å; F69-A89 HydrophobicContact CZ-CB 3.59Å |
| 90 | E | 94.6 | Very high | 91 | Very high | 74 Ų | 74 | 70.2 Ų | 70.2 | 35% | 0.346 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 130.3 | 173.3 | -69.2 | 173.9 | -171.3 | 0 | 0 | 108.7 | I67 H68 H88 K92 | I67-E90 CarbonylContact C-O 3.57Å; H68-E90 PolarHBondContact N-O 3.4Å; H68-E90 PolarHBondContact O-N 2.62Å; H88-E90 VanDerWaalsContact CE1-CG 3.44Å; H88-E90 WeakPolarHBondContact CE1-CG 3.43Å; H88-E90 IonicContact CE1-OE1 3.52Å; H88-E90 IonicContact ND1-OE1 3.42Å; H88-E90 PolarHBondContact ND1-OE1 3.1Å; E90-K92 HydrophobicContact CB-CG 4.48Å; E90-K92 WeakPolarHBondContact OE2-CE 3.19Å; E90-K92 IonicContact OE2-NZ 3.54Å; E90-K92 PolarHBondContact OE2-NZ 3.01Å |
| 91 | T | 95.3 | Very high | 90.8 | Very high | 88 Ų | 88 | 68 Ų | 68 | 54% | 0.54 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 116.6 | 171.2 | -54.9 | 0 | 0 | 0 | 0 | 107.9 | T65 V66 | T65-T91 HydrophobicContact CG2-CG2 4.42Å; V66-T91 WeakPolarHBondContact O-CA 3.44Å |
| 92 | K | 93 | Very high | 90.5 | Very high | 58 Ų | 58 | 65.2 Ų | 65.2 | 25% | 0.252 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 156.4 | -179.9 | -65 | -177.6 | -179.7 | 170 | 0 | 110.3 | T65 V66 H68 E90 M97 | T65-K92 WeakPolarHBondContact CA-O 3.21Å; V66-K92 PolarHBondContact N-O 2.89Å; V66-K92 PolarHBondContact O-N 3.42Å; H68-K92 HydrophobicContact CB-CD 4.34Å; E90-K92 HydrophobicContact CB-CG 4.48Å; E90-K92 WeakPolarHBondContact OE2-CE 3.19Å; E90-K92 IonicContact OE2-NZ 3.54Å; E90-K92 PolarHBondContact OE2-NZ 3.01Å; K92-M97 HydrophobicContact CB-CG 4.45Å; K92-M97 HydrophobicContact CB-SD 4.5Å; K92-M97 HydrophobicContact CD-CG 4.44Å; K92-M97 HydrophobicContact CD-SD 4.31Å |
| 93 | Q | 91.3 | Very high | 90.3 | Very high | 84 Ų | 84 | 68 Ų | 68 | 39% | 0.393 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 142.1 | 170.8 | -66.6 | -64.8 | 80.1 | 0 | 0 | 109.9 | T95 E96 | Q93-T95 PolarHBondContact O-N 3.14Å; Q93-T95 VanDerWaalsContact O-N 3.15Å; Q93-E96 HydrophobicContact CB-CG 4.09Å; Q93-E96 PolarHBondContact N-OE2 3.48Å; Q93-E96 WeakPolarHBondContact O-CB 3.13Å; Q93-E96 PolarHBondContact O-N 3.47Å |
| 94 | L | 87.4 | Confident | 90 | Very high | 9 Ų | 9 | 66.3 Ų | 66.3 | 5% | 0.047 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -57.6 | -32.5 | 179.2 | -174.1 | 62.9 | 0 | 0 | 0 | 112.1 | G64 V66 E96 M97 I101 L105 L113 | G64-L94 WeakPolarHBondContact O-CB 3.3Å; G64-L94 PolarHBondContact O-N 2.9Å; V66-L94 HydrophobicContact CG2-CB 4.3Å; V66-L94 HydrophobicContact CG2-CD1 3.58Å; L94-E96 VanDerWaalsContact C-N 3.32Å; L94-E96 PolarHBondContact O-N 3.44Å; L94-M97 PolarHBondContact O-N 3.23Å; L94-I101 HydrophobicContact CD1-CG1 3.93Å; L94-I101 HydrophobicContact CD1-CG2 3.97Å; L94-L105 HydrophobicContact CD1-CD1 4.21Å; L94-L105 HydrophobicContact CD1-CD2 4.27Å; L94-L105 HydrophobicContact CD2-CD1 4.46Å; L94-L113 HydrophobicContact CD2-CB 4.16Å; L94-L113 HydrophobicContact CD2-CD1 3.73Å; L94-L113 HydrophobicContact CD2-CG 4.35Å; L94-L113 HydrophobicContact CG-CD1 4.13Å |
| 95 | T | 85.4 | Confident | 89.6 | Confident | 62 Ų | 62 | 66.1 Ų | 66.1 | 38% | 0.38 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -65.2 | -29.8 | 177.2 | 51.3 | 0 | 0 | 0 | 0 | 113.7 | Q93 M97 | Q93-T95 PolarHBondContact O-N 3.14Å; Q93-T95 VanDerWaalsContact O-N 3.15Å; T95-M97 VanDerWaalsContact C-N 3.3Å; T95-M97 PolarHBondContact O-N 3.04Å |
| 96 | E | 88.8 | Confident | 89.1 | Confident | 132 Ų | 132 | 65.9 Ų | 65.9 | 62% | 0.617 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -76.4 | -19 | 179.6 | -65.6 | 171.6 | 175.3 | 0 | 0 | 112.7 | Q93 L94 | Q93-E96 HydrophobicContact CB-CG 4.09Å; Q93-E96 PolarHBondContact N-OE2 3.48Å; Q93-E96 WeakPolarHBondContact O-CB 3.13Å; Q93-E96 PolarHBondContact O-N 3.47Å; L94-E96 VanDerWaalsContact C-N 3.32Å; L94-E96 PolarHBondContact O-N 3.44Å |
| 97 | M | 86.9 | Confident | 88.5 | Confident | 35 Ų | 35 | 67.3 Ų | 67.3 | 17% | 0.172 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -98 | 5.7 | 179.3 | -60.8 | -157 | 70.7 | 0 | 0 | 113.2 | V66 H68 K92 L94 T95 G100 I101 | V66-M97 HydrophobicContact CB-SD 4.5Å; V66-M97 HydrophobicContact CG1-SD 4.31Å; H68-M97 HydrophobicContact CB-SD 4.27Å; K92-M97 HydrophobicContact CB-CG 4.45Å; K92-M97 HydrophobicContact CB-SD 4.5Å; K92-M97 HydrophobicContact CD-CG 4.44Å; K92-M97 HydrophobicContact CD-SD 4.31Å; L94-M97 PolarHBondContact O-N 3.23Å; T95-M97 VanDerWaalsContact C-N 3.3Å; T95-M97 PolarHBondContact O-N 3.04Å; M97-G100 PolarHBondContact O-N 3.15Å; M97-I101 HydrophobicContact CB-CB 3.93Å; M97-I101 HydrophobicContact CB-CG1 4.44Å; M97-I101 HydrophobicContact CB-CG2 4.06Å; M97-I101 WeakPolarHBondContact O-CB 3.47Å; M97-I101 WeakPolarHBondContact O-CG2 3.37Å; M97-I101 PolarHBondContact O-N 3.09Å; M97-I101 VanDerWaalsContact O-N 3.07Å |
| 98 | L | 85.2 | Confident | 87.9 | Confident | 71 Ų | 71 | 71.5 Ų | 71.5 | 37% | 0.372 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 140.9 | 172.9 | -64.9 | 173.5 | 0 | 0 | 0 | 110.4 | I101 L102 L113 | L98-I101 HydrophobicContact CD2-CG2 3.79Å; L98-I101 HydrophobicContact CG-CG2 4.45Å; L98-L102 HydrophobicContact CD2-CD1 4.19Å; L98-L102 HydrophobicContact CD2-CD2 3.72Å; L98-L102 HydrophobicContact CD2-CG 3.68Å; L98-L113 HydrophobicContact CD2-CD2 4.05Å |
| 99 | P | 85.7 | Confident | 87.1 | Confident | 104 Ų | 104 | 66.4 Ų | 66.4 | 68% | 0.675 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -91.8 | -9.3 | 4.6 | 34.3 | -34.4 | 0 | 0 | 0 | 114.8 | I101 L102 | P99-I101 VanDerWaalsContact C-N 3.29Å; P99-I101 PolarHBondContact O-N 2.88Å; P99-L102 HydrophobicContact CB-CD1 4.22Å; P99-L102 VanDerWaalsContact O-CB 3.29Å; P99-L102 WeakPolarHBondContact O-CB 3.45Å; P99-L102 WeakPolarHBondContact O-CG 3.34Å; P99-L102 PolarHBondContact O-N 3.34Å |
| 100 | G | 85.6 | Confident | 86.3 | Confident | 47 Ų | 47 | 66.7 Ų | 66.7 | 49% | 0.485 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -57.7 | -38.9 | -169.8 | 0 | 0 | 0 | 0 | 0 | 114 | M97 L102 S103 | M97-G100 PolarHBondContact O-N 3.15Å; G100-L102 PolarHBondContact O-N 2.86Å; G100-S103 PolarHBondContact O-N 3.31Å; G100-S103 PolarHBondContact O-OG 3.12Å |
| 101 | I | 86.5 | Confident | 85.6 | Confident | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.021 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -66.2 | -20.3 | -178.8 | -158.9 | 61.5 | 0 | 0 | 0 | 113.4 | N58 L94 M97 L98 P99 S103 Q104 L105 | N58-I101 HydrophobicContact CB-CD1 4.17Å; L94-I101 HydrophobicContact CD1-CG1 3.93Å; L94-I101 HydrophobicContact CD1-CG2 3.97Å; M97-I101 HydrophobicContact CB-CB 3.93Å; M97-I101 HydrophobicContact CB-CG1 4.44Å; M97-I101 HydrophobicContact CB-CG2 4.06Å; M97-I101 WeakPolarHBondContact O-CB 3.47Å; M97-I101 WeakPolarHBondContact O-CG2 3.37Å; M97-I101 PolarHBondContact O-N 3.09Å; M97-I101 VanDerWaalsContact O-N 3.07Å; L98-I101 HydrophobicContact CD2-CG2 3.79Å; L98-I101 HydrophobicContact CG-CG2 4.45Å; P99-I101 VanDerWaalsContact C-N 3.29Å; P99-I101 PolarHBondContact O-N 2.88Å; I101-S103 PolarHBondContact O-N 2.93Å; I101-Q104 HydrophobicContact CD1-CB 4.36Å; I101-Q104 PolarHBondContact O-N 3.17Å; I101-L105 HydrophobicContact CG1-CG 4.34Å; I101-L105 HydrophobicContact CG2-CD1 4.14Å; I101-L105 WeakPolarHBondContact O-CG 3.34Å; I101-L105 PolarHBondContact O-N 3.16Å |
| 102 | L | 85 | Confident | 84.8 | Confident | 76 Ų | 76 | 64.7 Ų | 64.7 | 40% | 0.398 | 39% | 0.392 | S | S | . | . | G | 310 helix | trans | -60.8 | -31.7 | -179.6 | -69 | 171.4 | 0 | 0 | 0 | 112.9 | L98 P99 G100 Q104 L105 L110 L113 | L98-L102 HydrophobicContact CD2-CD1 4.19Å; L98-L102 HydrophobicContact CD2-CD2 3.72Å; L98-L102 HydrophobicContact CD2-CG 3.68Å; P99-L102 HydrophobicContact CB-CD1 4.22Å; P99-L102 VanDerWaalsContact O-CB 3.29Å; P99-L102 WeakPolarHBondContact O-CB 3.45Å; P99-L102 WeakPolarHBondContact O-CG 3.34Å; P99-L102 PolarHBondContact O-N 3.34Å; G100-L102 PolarHBondContact O-N 2.86Å; L102-Q104 PolarHBondContact O-N 2.9Å; L102-L105 HydrophobicContact CD2-CD1 4.25Å; L102-L110 HydrophobicContact CD2-CD2 3.68Å; L102-L113 HydrophobicContact CD2-CD2 3.88Å |
| 103 | S | 88.4 | Confident | 84 | Confident | 107 Ų | 107 | 62.9 Ų | 62.9 | 75% | 0.748 | 39% | 0.385 | S | S | * | . | G | 310 helix | trans | -70.6 | -21.4 | 177.8 | 64.2 | 0 | 0 | 0 | 0 | 113.4 | G100 I101 | G100-S103 PolarHBondContact O-N 3.31Å; G100-S103 PolarHBondContact O-OG 3.12Å; I101-S103 PolarHBondContact O-N 2.93Å |
| 104 | Q | 87.1 | Confident | 83.5 | Confident | 90 Ų | 90 | 67.3 Ų | 67.3 | 42% | 0.421 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -18.5 | -177.9 | -57.5 | 176.9 | 14.8 | 0 | 0 | 112 | E56 N58 I101 L102 | E56-Q104 PolarHBondContact OE1-NE2 3.49Å; N58-Q104 PolarHBondContact ND2-OE1 3.29Å; I101-Q104 HydrophobicContact CD1-CB 4.36Å; I101-Q104 PolarHBondContact O-N 3.17Å; L102-Q104 PolarHBondContact O-N 2.9Å |
| 105 | L | 85.7 | Confident | 83.2 | Confident | 12 Ų | 12 | 73.2 Ų | 73.2 | 6% | 0.063 | 42% | 0.423 | C | S | . | . | trans | -74.5 | 129.4 | 175.7 | -72 | 170.4 | 0 | 0 | 0 | 110.5 | I60 L94 I101 L102 S109 L110 L113 | I60-L105 HydrophobicContact CD1-CD2 3.5Å; I60-L105 VanDerWaalsContact CD1-CD2 3.5Å; I60-L105 HydrophobicContact CG1-CD2 4.11Å; I60-L105 HydrophobicContact CG2-CD2 4.29Å; L94-L105 HydrophobicContact CD1-CD1 4.21Å; L94-L105 HydrophobicContact CD1-CD2 4.27Å; L94-L105 HydrophobicContact CD2-CD1 4.46Å; I101-L105 HydrophobicContact CG1-CG 4.34Å; I101-L105 HydrophobicContact CG2-CD1 4.14Å; I101-L105 WeakPolarHBondContact O-CG 3.34Å; I101-L105 PolarHBondContact O-N 3.16Å; L102-L105 HydrophobicContact CD2-CD1 4.25Å; L105-S109 WeakPolarHBondContact CA-OG 3.4Å; L105-S109 WeakPolarHBondContact CB-OG 3.49Å; L105-S109 VanDerWaalsContact CD2-OG 3.23Å; L105-S109 WeakPolarHBondContact CD2-OG 3.48Å; L105-L110 HydrophobicContact CB-CD2 4.11Å; L105-L110 HydrophobicContact CB-CG 4.25Å; L105-L110 HydrophobicContact CD1-CD2 4.13Å; L105-L113 HydrophobicContact CD1-CD2 4.16Å | ||
| 106 | G | 83.6 | Confident | 82.8 | Confident | 42 Ų | 42 | 72.5 Ų | 72.5 | 43% | 0.433 | 42% | 0.417 | S | S | . | . | trans | -76.2 | 166.6 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D108 S109 L110 | G106-D108 PolarHBondContact O-N 3.39Å; G106-D108 VanDerWaalsContact O-N 3.14Å; G106-S109 PolarHBondContact N-OG 3.43Å; G106-S109 PolarHBondContact O-N 3.16Å; G106-S109 VanDerWaalsContact O-N 3.07Å; G106-S109 PolarHBondContact O-OG 3.5Å; G106-L110 PolarHBondContact O-N 3.29Å; G106-L110 VanDerWaalsContact O-N 3.1Å | ||
| 107 | A | 80.1 | Confident | 82.1 | Confident | 83 Ų | 83 | 68.5 Ų | 68.5 | 69% | 0.686 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -52.3 | -37.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L110 S111 | A107-L110 PolarHBondContact O-N 3.09Å; A107-S111 PolarHBondContact O-N 3.26Å |
| 108 | D | 79.8 | Confident | 81.8 | Confident | 139 Ų | 139 | 73.7 Ų | 73.7 | 74% | 0.743 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -65.9 | -44.4 | 179.7 | -59.7 | -31.2 | 0 | 0 | 0 | 111.8 | G106 L110 S111 | G106-D108 PolarHBondContact O-N 3.39Å; G106-D108 VanDerWaalsContact O-N 3.14Å; D108-L110 VanDerWaalsContact C-N 3.34Å; D108-L110 PolarHBondContact O-N 3.04Å; D108-S111 WeakPolarHBondContact O-CB 3.49Å; D108-S111 PolarHBondContact O-N 3.35Å; D108-S111 PolarHBondContact O-OG 3.46Å |
| 109 | S | 77.6 | Confident | 81 | Confident | 27 Ų | 27 | 77.9 Ų | 77.9 | 19% | 0.189 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -71.1 | -26.9 | 178.5 | 56.5 | 0 | 0 | 0 | 0 | 113.7 | L105 G106 S111 S112 L113 | L105-S109 WeakPolarHBondContact CA-OG 3.4Å; L105-S109 WeakPolarHBondContact CB-OG 3.49Å; L105-S109 VanDerWaalsContact CD2-OG 3.23Å; L105-S109 WeakPolarHBondContact CD2-OG 3.48Å; G106-S109 PolarHBondContact N-OG 3.43Å; G106-S109 PolarHBondContact O-N 3.16Å; G106-S109 VanDerWaalsContact O-N 3.07Å; G106-S109 PolarHBondContact O-OG 3.5Å; S109-S111 VanDerWaalsContact C-N 3.3Å; S109-S111 PolarHBondContact O-N 3.18Å; S109-S112 PolarHBondContact O-N 3.31Å; S109-L113 PolarHBondContact O-N 3.46Å |
| 110 | L | 78.4 | Confident | 80.1 | Confident | 56 Ų | 56 | 78.6 Ų | 78.6 | 29% | 0.293 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -67.5 | -31.9 | 172.1 | -70.1 | 173.8 | 0 | 0 | 0 | 112 | L102 L105 G106 A107 D108 L113 R114 | L102-L110 HydrophobicContact CD2-CD2 3.68Å; L105-L110 HydrophobicContact CB-CD2 4.11Å; L105-L110 HydrophobicContact CB-CG 4.25Å; L105-L110 HydrophobicContact CD1-CD2 4.13Å; G106-L110 PolarHBondContact O-N 3.29Å; G106-L110 VanDerWaalsContact O-N 3.1Å; A107-L110 PolarHBondContact O-N 3.09Å; D108-L110 VanDerWaalsContact C-N 3.34Å; D108-L110 PolarHBondContact O-N 3.04Å; L110-L113 HydrophobicContact CD2-CD2 4.42Å; L110-L113 PolarHBondContact O-N 3.26Å; L110-R114 WeakPolarHBondContact O-CG 3.44Å; L110-R114 PolarHBondContact O-N 3Å |
| 111 | S | 80.9 | Confident | 78.8 | Confident | 55 Ų | 55 | 81.1 Ų | 81.1 | 39% | 0.385 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.5 | -40.3 | 175.1 | 80.8 | 0 | 0 | 0 | 0 | 111.8 | A107 D108 S109 R114 K115 | A107-S111 PolarHBondContact O-N 3.26Å; D108-S111 WeakPolarHBondContact O-CB 3.49Å; D108-S111 PolarHBondContact O-N 3.35Å; D108-S111 PolarHBondContact O-OG 3.46Å; S109-S111 VanDerWaalsContact C-N 3.3Å; S109-S111 PolarHBondContact O-N 3.18Å; S111-R114 PolarHBondContact O-N 3.2Å; S111-K115 WeakPolarHBondContact O-CG 3.5Å; S111-K115 PolarHBondContact O-N 3.07Å; S111-K115 VanDerWaalsContact O-N 3.11Å |
| 112 | S | 77.7 | Confident | 77.5 | Confident | 66 Ų | 66 | 90.5 Ų | 90.5 | 46% | 0.462 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.1 | -41.8 | 174.3 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | S109 K115 L116 | S109-S112 PolarHBondContact O-N 3.31Å; S112-K115 PolarHBondContact O-N 3.37Å; S112-L116 PolarHBondContact O-N 3Å |
| 113 | L | 77.4 | Confident | 75.7 | Confident | 19 Ų | 19 | 95 Ų | 95 | 10% | 0.099 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -63.3 | -41.3 | 175.2 | 179.4 | 63.9 | 0 | 0 | 0 | 111.9 | L94 L98 L102 L105 S109 L110 L116 A117 | L94-L113 HydrophobicContact CD2-CB 4.16Å; L94-L113 HydrophobicContact CD2-CD1 3.73Å; L94-L113 HydrophobicContact CD2-CG 4.35Å; L94-L113 HydrophobicContact CG-CD1 4.13Å; L98-L113 HydrophobicContact CD2-CD2 4.05Å; L102-L113 HydrophobicContact CD2-CD2 3.88Å; L105-L113 HydrophobicContact CD1-CD2 4.16Å; S109-L113 PolarHBondContact O-N 3.46Å; L110-L113 HydrophobicContact CD2-CD2 4.42Å; L110-L113 PolarHBondContact O-N 3.26Å; L113-L116 WeakPolarHBondContact O-CB 3.5Å; L113-L116 PolarHBondContact O-N 3.13Å; L113-A117 WeakPolarHBondContact O-CB 3.2Å; L113-A117 PolarHBondContact O-N 2.73Å |
| 114 | R | 80.4 | Confident | 73.8 | Confident | 178 Ų | 178 | 94.7 Ų | 94.7 | 67% | 0.672 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.7 | -46 | 175.5 | -78.8 | 180 | -178.3 | 168.7 | 1.4 | 111.7 | L110 S111 L116 A117 E118 | L110-R114 WeakPolarHBondContact O-CG 3.44Å; L110-R114 PolarHBondContact O-N 3Å; S111-R114 PolarHBondContact O-N 3.2Å; R114-L116 VanDerWaalsContact C-N 3.29Å; R114-L116 PolarHBondContact O-N 2.73Å; R114-A117 PolarHBondContact O-N 2.91Å; R114-E118 WeakPolarHBondContact O-CB 3.41Å; R114-E118 WeakPolarHBondContact O-CG 3.48Å; R114-E118 PolarHBondContact O-N 3.16Å |
| 115 | K | 81.8 | Confident | 71.7 | Confident | 132 Ų | 132 | 98.5 Ų | 98.5 | 57% | 0.574 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60 | -40.4 | 175.3 | -71.9 | 173.1 | -179.5 | 175.3 | 0 | 112.1 | S111 S112 Q119 | S111-K115 WeakPolarHBondContact O-CG 3.5Å; S111-K115 PolarHBondContact O-N 3.07Å; S111-K115 VanDerWaalsContact O-N 3.11Å; S112-K115 PolarHBondContact O-N 3.37Å; K115-Q119 WeakPolarHBondContact O-CG 3.19Å; K115-Q119 PolarHBondContact O-N 3.48Å |
| 116 | L | 76.3 | Confident | 69.5 | Low | 47 Ų | 47 | 105.3 Ų | 105.3 | 25% | 0.246 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -66.4 | -42.8 | 176 | -158.9 | 83.1 | 0 | 0 | 0 | 111.2 | S112 L113 R114 E118 Q119 F120 | S112-L116 PolarHBondContact O-N 3Å; L113-L116 WeakPolarHBondContact O-CB 3.5Å; L113-L116 PolarHBondContact O-N 3.13Å; R114-L116 VanDerWaalsContact C-N 3.29Å; R114-L116 PolarHBondContact O-N 2.73Å; L116-E118 VanDerWaalsContact C-N 3.34Å; L116-E118 PolarHBondContact O-N 3.49Å; L116-Q119 PolarHBondContact O-N 3.11Å; L116-F120 WeakPolarHBondContact O-CD2 3.49Å; L116-F120 PolarHBondContact O-N 3.27Å; L116-F120 VanDerWaalsContact O-N 3.16Å |
| 117 | A | 75 | Confident | 67.5 | Low | 49 Ų | 49 | 110.8 Ų | 110.8 | 41% | 0.405 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.3 | -32.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L113 R114 Q119 F120 | L113-A117 WeakPolarHBondContact O-CB 3.2Å; L113-A117 PolarHBondContact O-N 2.73Å; R114-A117 PolarHBondContact O-N 2.91Å; A117-Q119 VanDerWaalsContact C-N 3.32Å; A117-F120 PolarHBondContact O-N 3.35Å |
| 118 | E | 78.8 | Confident | 65.7 | Low | 144 Ų | 144 | 116.8 Ų | 116.8 | 67% | 0.673 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70.6 | -27.6 | 173.6 | -75 | 169.4 | -175.7 | 0 | 0 | 112.7 | R114 L116 | R114-E118 WeakPolarHBondContact O-CB 3.41Å; R114-E118 WeakPolarHBondContact O-CG 3.48Å; R114-E118 PolarHBondContact O-N 3.16Å; L116-E118 VanDerWaalsContact C-N 3.34Å; L116-E118 PolarHBondContact O-N 3.49Å |
| 119 | Q | 69.7 | Low | 63.7 | Low | 158 Ų | 158 | 114.1 Ų | 114.1 | 74% | 0.738 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -80.9 | -22 | 174.6 | -71.3 | 176.1 | 3.3 | 0 | 0 | 113 | K115 L116 A117 | K115-Q119 WeakPolarHBondContact O-CG 3.19Å; K115-Q119 PolarHBondContact O-N 3.48Å; L116-Q119 PolarHBondContact O-N 3.11Å; A117-Q119 VanDerWaalsContact C-N 3.32Å |
| 120 | F | 65.6 | Low | 61.6 | Low | 119 Ų | 119 | 119 Ų | 119 | 52% | 0.522 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -73.7 | 123.9 | 168.9 | -95.4 | -95.2 | 0 | 0 | 0 | 109 | L116 A117 R122 | L116-F120 WeakPolarHBondContact O-CD2 3.49Å; L116-F120 PolarHBondContact O-N 3.27Å; L116-F120 VanDerWaalsContact O-N 3.16Å; A117-F120 PolarHBondContact O-N 3.35Å; F120-R122 PolarHBondContact O-N 3.31Å |
| 121 | P | 59.1 | Low | 59.6 | Low | 100 Ų | 100 | 126.6 Ų | 126.6 | 65% | 0.649 | 64% | 0.637 | S | S | * | * | trans | -57.2 | 127.6 | 175.1 | 20.7 | -28.8 | 0 | 0 | 0 | 108.8 | Q123 | P121-Q123 PolarHBondContact O-N 3.48Š| ||
| 122 | R | 58.2 | Low | 57.6 | Low | 202 Ų | 202 | 132.1 Ų | 132.1 | 76% | 0.762 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -59 | 7.4 | -174.7 | -71.9 | -169.1 | 173.7 | -169.2 | -0.1 | 115.5 | F120 S124 | F120-R122 PolarHBondContact O-N 3.31Å; R122-S124 PolarHBondContact O-N 2.99Å; R122-S124 VanDerWaalsContact O-N 3.16Å |
| 123 | Q | 48.3 | Very low | 55.6 | Low | 169 Ų | 169 | 137.6 Ų | 137.6 | 79% | 0.79 | 68% | 0.675 | S | S | * | * | G | 310 helix | trans | -74.3 | -7 | -168.4 | -154.9 | 170.8 | 0.3 | 0 | 0 | 114.4 | P121 | P121-Q123 PolarHBondContact O-N 3.48Š|
| 124 | S | 48 | Very low | 53.4 | Low | 102 Ų | 102 | 144.7 Ų | 144.7 | 71% | 0.713 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -110.4 | -7.5 | -175.6 | 63.5 | 0 | 0 | 0 | 0 | 116.3 | R122 | R122-S124 PolarHBondContact O-N 2.99Å; R122-S124 VanDerWaalsContact O-N 3.16Å |
| 125 | M | 43.6 | Very low | 51.5 | Low | 169 Ų | 169 | 140 Ų | 140 | 83% | 0.833 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | -7 | -178.9 | -83.1 | -150.5 | -86.9 | 0 | 0 | 115.5 | ||
| 126 | E | 39.5 | Very low | 49.4 | Very low | 155 Ų | 155 | 142 Ų | 142 | 72% | 0.724 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -96.1 | -0.5 | -179.4 | -114.8 | 167.8 | 139.3 | 0 | 0 | 115.1 | ||
| 127 | L | 41.7 | Very low | 47.9 | Very low | 157 Ų | 157 | 148.2 Ų | 148.2 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -89.8 | 4.9 | -178.2 | -100.2 | 91.2 | 0 | 0 | 0 | 116.1 | ||
| 128 | K | 40.9 | Very low | 46.2 | Very low | 210 Ų | 210 | 155.4 Ų | 155.4 | 91% | 0.913 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -130.4 | 7.7 | -173.8 | -102.5 | -174.8 | 179.2 | -179.4 | 0 | 118.3 | ||
| 129 | A | 38.3 | Very low | 45 | Very low | 82 Ų | 82 | 156.4 Ų | 156.4 | 68% | 0.678 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -154.3 | 93.8 | 165.2 | 0 | 0 | 0 | 0 | 0 | 105.3 | ||
| 130 | V | 34.6 | Very low | 44.4 | Very low | 130 Ų | 130 | 156.2 Ų | 156.2 | 79% | 0.788 | 79% | 0.791 | S | S | * | * | -160.5 | 111.2 | 70.1 | 175.7 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 131 | K | 36.6 | Very low | 44.2 | Very low | 215 Ų | 215 | 158.2 Ų | 158.2 | 94% | 0.935 | 81% | 0.807 | S | S | * | * | trans | -130.2 | 65.7 | 164.3 | -146.7 | -176.6 | -165.5 | -179.5 | 0 | 108.4 | ||||
| 132 | E | 38.3 | Very low | 44.3 | Very low | 171 Ų | 171 | 159.9 Ų | 159.9 | 80% | 0.799 | 82% | 0.815 | S | S | * | * | S | Bend | trans | -148.6 | 119.3 | 159.2 | -107.9 | 170.4 | -167.6 | 0 | 0 | 106.9 | ||
| 133 | E | 35.4 | Very low | 44.7 | Very low | 181 Ų | 181 | 155.8 Ų | 155.8 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | S | Bend | trans | 81.1 | 76.7 | 166.4 | -51.7 | -171 | 171.6 | 0 | 0 | 119.7 | ||
| 134 | N | 30.4 | Very low | 45.7 | Very low | 168 Ų | 168 | 154.9 Ų | 154.9 | 90% | 0.898 | 82% | 0.815 | S | S | * | * | 179.7 | 149.5 | 108.1 | -112.1 | -50.3 | 0 | 0 | 0 | 111.7 | |||||
| 135 | A | 40.4 | Very low | 46.5 | Very low | 79 Ų | 79 | 157.9 Ų | 157.9 | 65% | 0.653 | 82% | 0.823 | S | S | * | * | trans | -78.4 | 162.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 136 | E | 39 | Very low | 47.3 | Very low | 176 Ų | 176 | 155.9 Ų | 155.9 | 82% | 0.822 | 82% | 0.82 | S | S | * | * | trans | 93.8 | 119.1 | 158.7 | -64.3 | 173.5 | -176.6 | 0 | 0 | 118.5 | ||||
| 137 | E | 45.5 | Very low | 48.2 | Very low | 177 Ų | 177 | 156.5 Ų | 156.5 | 83% | 0.827 | 82% | 0.823 | S | S | * | * | trans | 71.9 | 97 | 151.1 | -60.8 | -178.8 | -179.2 | 0 | 0 | 119.2 | ||||
| 138 | E | 38.6 | Very low | 48.9 | Very low | 200 Ų | 200 | 155.2 Ų | 155.2 | 94% | 0.935 | 82% | 0.817 | S | S | * | * | 173.5 | 135.4 | 111.2 | -93 | 177.9 | 171.2 | 0 | 0 | 110.4 | |||||
| 139 | D | 53.4 | Low | 49.8 | Very low | 165 Ų | 165 | 154 Ų | 154 | 88% | 0.882 | 81% | 0.812 | S | S | * | * | trans | -113 | 58 | -156 | -155.9 | 15.7 | 0 | 0 | 0 | 110.2 | ||||
| 140 | D | 57.5 | Low | 50.8 | Low | 153 Ų | 153 | 155.2 Ų | 155.2 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -153.2 | 65.6 | -169.6 | -108.5 | -20.8 | 0 | 0 | 0 | 114.4 | ||||
| 141 | D | 60.8 | Low | 51.9 | Low | 162 Ų | 162 | 156.6 Ų | 156.6 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | trans | -179.2 | 41 | 151 | -98 | -28.7 | 0 | 0 | 0 | 113.7 | P143 | D141-P143 VanDerWaalsContact O-CD 3.27Å; D141-P143 WeakPolarHBondContact O-CD 3.48Å | ||
| 142 | V | 61.2 | Low | 52.9 | Low | 135 Ų | 135 | 150 Ų | 150 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -99.6 | 103.5 | 165.4 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | D144 | V142-D144 PolarHBondContact O-N 3.26Š| ||
| 143 | P | 66.9 | Low | 53.9 | Low | 115 Ų | 115 | 145.6 Ų | 145.6 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | trans | -63.4 | 132.6 | 167.2 | 24 | -30 | 0 | 0 | 0 | 109.4 | D141 L145 | D141-P143 VanDerWaalsContact O-CD 3.27Å; D141-P143 WeakPolarHBondContact O-CD 3.48Å; P143-L145 PolarHBondContact O-N 3.48Å | ||
| 144 | D | 69.6 | Low | 55.1 | Low | 150 Ų | 150 | 144.7 Ų | 144.7 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | trans | -55.2 | 134.6 | -173.7 | -138.1 | -6.5 | 0 | 0 | 0 | 111.2 | V142 V146 | V142-D144 PolarHBondContact O-N 3.26Å; D144-V146 PolarHBondContact O-N 3.11Å | ||
| 145 | L | 64.1 | Low | 56.6 | Low | 166 Ų | 166 | 143.8 Ų | 143.8 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | trans | -62.4 | 103.4 | 178.6 | -81.7 | 154.6 | 0 | 0 | 0 | 108.2 | P143 E147 | P143-L145 PolarHBondContact O-N 3.48Å; L145-E147 PolarHBondContact O-N 3.11Å | ||
| 146 | V | 61.5 | Low | 57.6 | Low | 127 Ų | 127 | 148.8 Ų | 148.8 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -62.6 | 103.6 | 176.5 | -162.6 | 0 | 0 | 0 | 0 | 108.7 | D144 | D144-V146 PolarHBondContact O-N 3.11Š| ||
| 147 | E | 57.8 | Low | 58.4 | Low | 168 Ų | 168 | 144.7 Ų | 144.7 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | 34.5 | 121.3 | 158.6 | -64.7 | -179 | 166.9 | 0 | 0 | 119 | L145 F149 | L145-E147 PolarHBondContact O-N 3.11Å; E147-F149 PolarHBondContact O-N 3.2Å; E147-F149 VanDerWaalsContact O-N 3.09Å | ||
| 148 | N | 56.8 | Low | 58.4 | Low | 130 Ų | 130 | 147.4 Ų | 147.4 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | trans | -47.1 | 105.2 | 179.3 | -148.5 | 6 | 0 | 0 | 0 | 112.7 | D150 E151 | N148-D150 PolarHBondContact O-N 3.44Å; N148-E151 PolarHBondContact O-N 3.44Å | ||
| 149 | F | 58.1 | Low | 59.4 | Low | 185 Ų | 185 | 144.8 Ų | 144.8 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.7 | -9.9 | 177.6 | -77.6 | -91.1 | 0 | 0 | 0 | 114.6 | E147 E151 | E147-F149 PolarHBondContact O-N 3.2Å; E147-F149 VanDerWaalsContact O-N 3.09Å; F149-E151 VanDerWaalsContact C-N 3.32Å; F149-E151 PolarHBondContact O-N 3.4Å |
| 150 | D | 60 | Low | 59.7 | Low | 107 Ų | 107 | 143.7 Ų | 143.7 | 57% | 0.572 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.5 | -18.9 | 176.2 | -85.7 | -19.7 | 0 | 0 | 0 | 114.1 | N148 S153 | N148-D150 PolarHBondContact O-N 3.44Å; D150-S153 PolarHBondContact O-OG 3.31Å |
| 151 | E | 58.4 | Low | 59.9 | Low | 158 Ų | 158 | 143.2 Ų | 143.2 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -30.1 | -179 | -150.9 | 168.2 | -153.5 | 0 | 0 | 113.1 | N148 F149 S153 K154 | N148-E151 PolarHBondContact O-N 3.44Å; F149-E151 VanDerWaalsContact C-N 3.32Å; F149-E151 PolarHBondContact O-N 3.4Å; E151-S153 PolarHBondContact O-N 3.31Å; E151-K154 PolarHBondContact O-N 2.96Å |
| 152 | A | 57.8 | Low | 59.8 | Low | 77 Ų | 77 | 142.1 Ų | 142.1 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -65.5 | -24.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 153 | S | 57.7 | Low | 59.7 | Low | 79 Ų | 79 | 142.5 Ų | 142.5 | 55% | 0.552 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -82.1 | -11.7 | -176.8 | 70.7 | 0 | 0 | 0 | 0 | 114.8 | D150 E151 | D150-S153 PolarHBondContact O-OG 3.31Å; E151-S153 PolarHBondContact O-N 3.31Å |
| 154 | K | 61.1 | Low | 59.3 | Low | 161 Ų | 161 | 144.3 Ų | 144.3 | 70% | 0.7 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -89.1 | -15.9 | -179.7 | -77.2 | 172.2 | -178.1 | 165.1 | 0 | 114.2 | E151 | E151-K154 PolarHBondContact O-N 2.96Š|
| 155 | N | 62.2 | Low | 58.5 | Low | 150 Ų | 150 | 143.9 Ų | 143.9 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -0.5 | -176.5 | -83.6 | -9.3 | 0 | 0 | 0 | 114.9 | ||
| 156 | E | 61 | Low | 58.1 | Low | 184 Ų | 184 | 142.2 Ų | 142.2 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 1.4 | 176.4 | -67.5 | -163.5 | 157.1 | 0 | 0 | 114.1 | ||
| 157 | A | 56.7 | Low | 57.8 | Low | 90 Ų | 90 | 143.5 Ų | 143.5 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | trans | -108.4 | 63.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 158 | N | 46 | Very low | 57.8 | Low | 233 Ų | 233 | 141.3 Ų | 141.3 | 100% | 1.246 | 76% | 0.76 | S | S | * | * | trans | -149.2 | 0 | 155.1 | -152.9 | 23.4 | 0 | 0 | 0 | 111.2 |
Retrieved 158 of 158 residues in 55.1 ms
(Link to these results)