| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.1 | Very low | 35.2 | Very low | 232 Ų | 232 | 148.8 Ų | 148.8 | 100% | 1.143 | 81% | 0.808 | S | S | * | * | 0 | 136.6 | 0 | -111.9 | 142.2 | 172.8 | 0 | 0 | 107.4 | |||||
| 2 | E | 37.2 | Very low | 35.4 | Very low | 168 Ų | 168 | 149 Ų | 149 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | trans | 14.1 | 150.5 | 154.2 | -69.2 | 176.9 | 106.8 | 0 | 0 | 119.3 | ||||
| 3 | M | 33.1 | Very low | 34.8 | Very low | 138 Ų | 138 | 146.5 Ų | 146.5 | 68% | 0.68 | 81% | 0.808 | S | S | * | * | cis | -177.4 | 139 | -2 | -105.1 | -112.2 | -92 | 0 | 0 | 103.3 | ||||
| 4 | R | 36.7 | Very low | 35 | Very low | 225 Ų | 225 | 146.9 Ų | 146.9 | 85% | 0.849 | 81% | 0.809 | S | S | * | * | trans | 65 | 134.3 | 137.2 | -145.9 | 178.7 | -173.6 | 159.8 | 0.8 | 121.2 | ||||
| 5 | A | 34.5 | Very low | 34.8 | Very low | 98 Ų | 98 | 146.3 Ų | 146.3 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | trans | 115.1 | 124.7 | 132 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 6 | G | 32.8 | Very low | 35.1 | Very low | 60 Ų | 60 | 145.1 Ų | 145.1 | 62% | 0.619 | 82% | 0.815 | S | S | * | * | trans | 122.4 | 108.8 | 140 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 7 | T | 31.3 | Very low | 35.2 | Very low | 137 Ų | 137 | 140.6 Ų | 140.6 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | 63.5 | 128.2 | 128.9 | 46 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 8 | E | 31.6 | Very low | 35.9 | Very low | 188 Ų | 188 | 137.7 Ų | 137.7 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | -162.5 | 141.9 | 52.4 | -71.3 | -171.5 | 142.3 | 0 | 0 | 112.5 | |||||
| 9 | E | 33.3 | Very low | 36.3 | Very low | 175 Ų | 175 | 134.2 Ų | 134.2 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -76.1 | -173 | 153.7 | -81 | -91.1 | 129.6 | 0 | 0 | 109.5 | ||||
| 10 | P | 54.4 | Low | 37.3 | Very low | 98 Ų | 98 | 130.2 Ų | 130.2 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | cis | -130.3 | 177.7 | -48.6 | 32.3 | -14.8 | 0 | 0 | 0 | 111.2 | ||||
| 11 | S | 28.2 | Very low | 39.3 | Very low | 118 Ų | 118 | 128 Ų | 128 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | 177.3 | 106.4 | 134.7 | -80.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 12 | N | 37.7 | Very low | 41.3 | Very low | 151 Ų | 151 | 122 Ų | 122 | 81% | 0.807 | 75% | 0.752 | S | S | * | * | trans | 3.5 | 134.7 | 144.1 | -86.7 | -17.2 | 0 | 0 | 0 | 120.7 | ||||
| 13 | S | 28.1 | Very low | 43.2 | Very low | 117 Ų | 117 | 120.8 Ų | 120.8 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | -145.4 | 120.4 | 118.2 | 52.5 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 14 | N | 37.1 | Very low | 45.5 | Very low | 152 Ų | 152 | 119.7 Ų | 119.7 | 81% | 0.813 | 74% | 0.743 | S | S | * | * | trans | -62.9 | 130.5 | 166.6 | -92.4 | -4.9 | 0 | 0 | 0 | 110.1 | ||||
| 15 | V | 31.2 | Very low | 47.7 | Very low | 138 Ų | 138 | 116.9 Ų | 116.9 | 84% | 0.836 | 73% | 0.733 | S | S | * | * | trans | -125.7 | 106.3 | 147.4 | 165.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 16 | S | 40.7 | Very low | 50.2 | Low | 126 Ų | 126 | 116.9 Ų | 116.9 | 88% | 0.881 | 72% | 0.719 | S | S | * | * | trans | -68.5 | 124.5 | 162.4 | -175.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 17 | G | 35.8 | Very low | 52.7 | Low | 69 Ų | 69 | 119.9 Ų | 119.9 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | trans | 173 | 75.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 18 | G | 48 | Very low | 55.2 | Low | 89 Ų | 89 | 118.4 Ų | 118.4 | 92% | 0.918 | 70% | 0.703 | S | S | * | * | trans | 55.1 | 87.8 | 139.6 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 19 | G | 44.1 | Very low | 57.7 | Low | 70 Ų | 70 | 114.8 Ų | 114.8 | 72% | 0.722 | 69% | 0.686 | S | S | * | * | trans | -156.9 | 33.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | T21 | G19-T21 PolarHBondContact O-N 3.28Š| ||
| 20 | S | 55.9 | Low | 59.9 | Low | 54 Ų | 54 | 111.6 Ų | 111.6 | 38% | 0.378 | 67% | 0.672 | S | S | . | * | trans | -64.6 | 113.1 | 174.5 | 174.8 | 0 | 0 | 0 | 0 | 108.9 | Q24 R25 | S20-Q24 WeakPolarHBondContact OG-CB 3.42Å; S20-R25 PolarHBondContact OG-N 2.98Å | ||
| 21 | T | 78.5 | Confident | 61.1 | Low | 85 Ų | 85 | 113 Ų | 113 | 52% | 0.521 | 67% | 0.671 | S | S | . | * | trans | -56.8 | 154.8 | 169.4 | 63.1 | 0 | 0 | 0 | 0 | 109.7 | G19 L23 Q24 R25 | G19-T21 PolarHBondContact O-N 3.28Å; T21-L23 PolarHBondContact O-N 3.07Å; T21-L23 VanDerWaalsContact O-N 3.16Å; T21-Q24 PolarHBondContact O-N 3.47Å; T21-Q24 PolarHBondContact OG1-N 2.98Å; T21-R25 PolarHBondContact O-N 3.39Å | ||
| 22 | V | 78.1 | Confident | 63.7 | Low | 107 Ų | 107 | 111.7 Ų | 111.7 | 65% | 0.648 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -54.1 | -36 | 178.5 | 175.6 | 0 | 0 | 0 | 0 | 111 | R25 L26 | V22-R25 PolarHBondContact O-N 2.78Å; V22-L26 HydrophobicContact CG1-CD1 3.77Å; V22-L26 WeakPolarHBondContact O-CD1 3.4Å; V22-L26 PolarHBondContact O-N 2.83Å |
| 23 | L | 76.9 | Confident | 65.7 | Low | 142 Ų | 142 | 112.3 Ų | 112.3 | 74% | 0.743 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -60.9 | -44.8 | 174 | -108.4 | 158.6 | 0 | 0 | 0 | 112.6 | T21 R25 L26 L27 | T21-L23 PolarHBondContact O-N 3.07Å; T21-L23 VanDerWaalsContact O-N 3.16Å; L23-R25 VanDerWaalsContact C-N 3.3Å; L23-R25 PolarHBondContact O-N 2.84Å; L23-L26 PolarHBondContact O-N 3.13Å; L23-L27 WeakPolarHBondContact O-CB 3.34Å; L23-L27 PolarHBondContact O-N 3.5Å |
| 24 | Q | 79.8 | Confident | 68 | Low | 115 Ų | 115 | 111.8 Ų | 111.8 | 54% | 0.537 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -69.3 | -31.6 | 178.2 | -172.3 | 155.1 | 33.8 | 0 | 0 | 112 | S20 T21 Q28 | S20-Q24 WeakPolarHBondContact OG-CB 3.42Å; T21-Q24 PolarHBondContact O-N 3.47Å; T21-Q24 PolarHBondContact OG1-N 2.98Å; Q24-Q28 VanDerWaalsContact O-CB 3.27Å; Q24-Q28 WeakPolarHBondContact O-CB 3.49Å; Q24-Q28 PolarHBondContact O-N 2.84Å |
| 25 | R | 83.8 | Confident | 70 | Confident | 165 Ų | 165 | 112 Ų | 112 | 62% | 0.623 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69.2 | -42.9 | 173.5 | -154.1 | -179.2 | -59.9 | -179.4 | 2.5 | 111.8 | S20 T21 V22 L23 Q28 E29 | S20-R25 PolarHBondContact OG-N 2.98Å; T21-R25 PolarHBondContact O-N 3.39Å; V22-R25 PolarHBondContact O-N 2.78Å; L23-R25 VanDerWaalsContact C-N 3.3Å; L23-R25 PolarHBondContact O-N 2.84Å; R25-Q28 PolarHBondContact O-N 3.36Å; R25-E29 VanDerWaalsContact O-CB 3.27Å; R25-E29 WeakPolarHBondContact O-CB 3.45Å; R25-E29 PolarHBondContact O-N 3.37Å |
| 26 | L | 86.1 | Confident | 72 | Confident | 99 Ų | 99 | 109.5 Ų | 109.5 | 52% | 0.518 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -65.8 | -37.8 | 175.4 | -102.8 | 115.3 | 0 | 0 | 0 | 112.4 | V22 L23 E29 Q30 | V22-L26 HydrophobicContact CG1-CD1 3.77Å; V22-L26 WeakPolarHBondContact O-CD1 3.4Å; V22-L26 PolarHBondContact O-N 2.83Å; L23-L26 PolarHBondContact O-N 3.13Å; L26-E29 PolarHBondContact O-N 2.99Å; L26-Q30 WeakPolarHBondContact O-CB 3.31Å; L26-Q30 WeakPolarHBondContact O-CG 3.33Å; L26-Q30 PolarHBondContact O-N 2.91Å |
| 27 | L | 86.5 | Confident | 73.6 | Confident | 123 Ų | 123 | 108.7 Ų | 108.7 | 64% | 0.644 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -69.4 | -41 | 177.5 | -166.1 | 68.4 | 0 | 0 | 0 | 111.2 | L23 E29 Q30 M31 | L23-L27 WeakPolarHBondContact O-CB 3.34Å; L23-L27 PolarHBondContact O-N 3.5Å; L27-E29 VanDerWaalsContact C-N 3.32Å; L27-E29 PolarHBondContact O-N 3.41Å; L27-Q30 PolarHBondContact O-N 2.92Å; L27-M31 PolarHBondContact O-N 2.95Å |
| 28 | Q | 82.5 | Confident | 75.4 | Confident | 106 Ų | 106 | 110.6 Ų | 110.6 | 50% | 0.495 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.8 | -39.8 | 172.9 | -170 | 73.6 | 64.4 | 0 | 0 | 111.5 | Q24 R25 M31 N32 | Q24-Q28 VanDerWaalsContact O-CB 3.27Å; Q24-Q28 WeakPolarHBondContact O-CB 3.49Å; Q24-Q28 PolarHBondContact O-N 2.84Å; R25-Q28 PolarHBondContact O-N 3.36Å; Q28-M31 PolarHBondContact O-N 3.35Å; Q28-N32 WeakPolarHBondContact O-CB 3.29Å; Q28-N32 PolarHBondContact O-N 3.43Å |
| 29 | E | 84.4 | Confident | 76.2 | Confident | 111 Ų | 111 | 111.8 Ų | 111.8 | 52% | 0.519 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.9 | -37 | 178.5 | -168.6 | 172.6 | -169.6 | 0 | 0 | 112.2 | R25 L26 L27 N32 R33 | R25-E29 VanDerWaalsContact O-CB 3.27Å; R25-E29 WeakPolarHBondContact O-CB 3.45Å; R25-E29 PolarHBondContact O-N 3.37Å; L26-E29 PolarHBondContact O-N 2.99Å; L27-E29 VanDerWaalsContact C-N 3.32Å; L27-E29 PolarHBondContact O-N 3.41Å; E29-N32 PolarHBondContact O-N 2.94Å; E29-R33 PolarHBondContact O-N 2.87Å |
| 30 | Q | 81.1 | Confident | 77.1 | Confident | 109 Ų | 109 | 115 Ų | 115 | 51% | 0.509 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.8 | -43.7 | 172.3 | -81.5 | -67.9 | -12.3 | 0 | 0 | 112.5 | L26 L27 R33 N34 | L26-Q30 WeakPolarHBondContact O-CB 3.31Å; L26-Q30 WeakPolarHBondContact O-CG 3.33Å; L26-Q30 PolarHBondContact O-N 2.91Å; L27-Q30 PolarHBondContact O-N 2.92Å; Q30-R33 PolarHBondContact O-N 3.43Å; Q30-N34 PolarHBondContact O-N 3.39Å |
| 31 | M | 78.7 | Confident | 77.2 | Confident | 128 Ų | 128 | 120 Ų | 120 | 63% | 0.631 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.3 | -42.9 | 174.4 | -88.4 | -114.1 | -68.2 | 0 | 0 | 112.1 | L27 Q28 N34 Y35 | L27-M31 PolarHBondContact O-N 2.95Å; Q28-M31 PolarHBondContact O-N 3.35Å; M31-N34 PolarHBondContact O-N 3.28Å; M31-Y35 WeakPolarHBondContact O-CB 3.36Å; M31-Y35 PolarHBondContact O-N 2.82Å |
| 32 | N | 82.5 | Confident | 76.1 | Confident | 90 Ų | 90 | 123.5 Ų | 123.5 | 48% | 0.481 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -66 | -38.5 | 177.7 | -85.5 | -4.6 | 0 | 0 | 0 | 112.2 | Q28 E29 N34 Y35 V36 | Q28-N32 WeakPolarHBondContact O-CB 3.29Å; Q28-N32 PolarHBondContact O-N 3.43Å; E29-N32 PolarHBondContact O-N 2.94Å; N32-N34 VanDerWaalsContact C-N 3.34Å; N32-Y35 PolarHBondContact O-N 3.46Å; N32-V36 VanDerWaalsContact O-CG2 3.29Å; N32-V36 WeakPolarHBondContact O-CG2 3.4Å; N32-V36 PolarHBondContact O-N 3.49Å |
| 33 | R | 79.8 | Confident | 74.9 | Confident | 164 Ų | 164 | 123.1 Ų | 123.1 | 62% | 0.619 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -60.5 | -44.1 | 171.4 | -87.2 | -168 | -166.7 | -154.3 | 3.7 | 112 | E29 Q30 Y35 V36 L37 | E29-R33 PolarHBondContact O-N 2.87Å; Q30-R33 PolarHBondContact O-N 3.43Å; R33-Y35 VanDerWaalsContact C-N 3.34Å; R33-V36 PolarHBondContact O-N 3.31Å; R33-L37 WeakPolarHBondContact O-CG 3.28Å; R33-L37 PolarHBondContact O-N 2.87Å |
| 34 | N | 77.6 | Confident | 73.3 | Confident | 106 Ų | 106 | 119.7 Ų | 119.7 | 57% | 0.567 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63 | -42.6 | 177.8 | -111.8 | -78.1 | 0 | 0 | 0 | 111.6 | Q30 M31 N32 V36 L37 Q38 | Q30-N34 PolarHBondContact O-N 3.39Å; M31-N34 PolarHBondContact O-N 3.28Å; N32-N34 VanDerWaalsContact C-N 3.34Å; N34-V36 PolarHBondContact O-N 3.21Å; N34-L37 PolarHBondContact O-N 2.66Å; N34-Q38 WeakPolarHBondContact O-CB 3.43Å; N34-Q38 PolarHBondContact O-N 3.06Å |
| 35 | Y | 78.5 | Confident | 71.5 | Confident | 155 Ų | 155 | 117.2 Ų | 117.2 | 61% | 0.608 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.8 | -40.5 | 177.8 | -171.1 | -101.3 | 0 | 0 | 0 | 112.6 | M31 N32 R33 Q38 Q39 | M31-Y35 WeakPolarHBondContact O-CB 3.36Å; M31-Y35 PolarHBondContact O-N 2.82Å; N32-Y35 PolarHBondContact O-N 3.46Å; R33-Y35 VanDerWaalsContact C-N 3.34Å; Y35-Q38 PolarHBondContact O-N 3.02Å; Y35-Q39 WeakPolarHBondContact O-CB 3.41Å; Y35-Q39 PolarHBondContact O-N 2.93Å |
| 36 | V | 73.9 | Confident | 69.2 | Low | 87 Ų | 87 | 115.6 Ų | 115.6 | 53% | 0.527 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -68 | -40.2 | 177 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | N32 R33 N34 Q38 Q39 Q40 | N32-V36 VanDerWaalsContact O-CG2 3.29Å; N32-V36 WeakPolarHBondContact O-CG2 3.4Å; N32-V36 PolarHBondContact O-N 3.49Å; R33-V36 PolarHBondContact O-N 3.31Å; N34-V36 PolarHBondContact O-N 3.21Å; V36-Q38 VanDerWaalsContact C-N 3.34Å; V36-Q39 PolarHBondContact O-N 3.31Å; V36-Q40 PolarHBondContact O-N 3.07Å |
| 37 | L | 72.4 | Confident | 66.7 | Low | 108 Ų | 108 | 119.2 Ų | 119.2 | 57% | 0.565 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.3 | -38 | 174.8 | -71.9 | 171.4 | 0 | 0 | 0 | 112 | R33 N34 Q39 Q40 Q41 | R33-L37 WeakPolarHBondContact O-CG 3.28Å; R33-L37 PolarHBondContact O-N 2.87Å; N34-L37 PolarHBondContact O-N 2.66Å; L37-Q39 VanDerWaalsContact C-N 3.32Å; L37-Q39 PolarHBondContact O-N 3.43Å; L37-Q40 PolarHBondContact O-N 3.36Å; L37-Q41 PolarHBondContact O-N 3.09Å |
| 38 | Q | 73.8 | Confident | 64.2 | Low | 109 Ų | 109 | 116.8 Ų | 116.8 | 51% | 0.509 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -63.5 | -38.5 | 174 | -167.5 | 86.9 | 87 | 0 | 0 | 111.6 | N34 Y35 V36 Q41 Q42 | N34-Q38 WeakPolarHBondContact O-CB 3.43Å; N34-Q38 PolarHBondContact O-N 3.06Å; Y35-Q38 PolarHBondContact O-N 3.02Å; V36-Q38 VanDerWaalsContact C-N 3.34Å; Q38-Q41 PolarHBondContact O-N 3.38Å; Q38-Q42 PolarHBondContact O-N 2.92Å |
| 39 | Q | 65.6 | Low | 61.8 | Low | 115 Ų | 115 | 120.8 Ų | 120.8 | 54% | 0.537 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -73 | -35.1 | 179.5 | -154.6 | -176.1 | 108.6 | 0 | 0 | 112.2 | Y35 V36 L37 Q41 Q42 S43 | Y35-Q39 WeakPolarHBondContact O-CB 3.41Å; Y35-Q39 PolarHBondContact O-N 2.93Å; V36-Q39 PolarHBondContact O-N 3.31Å; L37-Q39 VanDerWaalsContact C-N 3.32Å; L37-Q39 PolarHBondContact O-N 3.43Å; Q39-Q41 VanDerWaalsContact C-N 3.28Å; Q39-Q41 PolarHBondContact O-N 2.91Å; Q39-Q42 PolarHBondContact O-N 3.06Å; Q39-S43 PolarHBondContact O-N 3.49Å |
| 40 | Q | 62.6 | Low | 59.3 | Low | 137 Ų | 137 | 122 Ų | 122 | 64% | 0.64 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -70.8 | -24.5 | 176.1 | -169.8 | 162.9 | 82.8 | 0 | 0 | 112.7 | V36 L37 Q42 | V36-Q40 PolarHBondContact O-N 3.07Å; L37-Q40 PolarHBondContact O-N 3.36Å; Q40-Q42 VanDerWaalsContact C-N 3.35Å |
| 41 | Q | 58 | Low | 56.8 | Low | 160 Ų | 160 | 122 Ų | 122 | 75% | 0.748 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -80.1 | -15.7 | 174.2 | -162.7 | 156.4 | 71.7 | 0 | 0 | 113.3 | L37 Q38 Q39 | L37-Q41 PolarHBondContact O-N 3.09Å; Q38-Q41 PolarHBondContact O-N 3.38Å; Q39-Q41 VanDerWaalsContact C-N 3.28Å; Q39-Q41 PolarHBondContact O-N 2.91Å |
| 42 | Q | 56.4 | Low | 55.7 | Low | 158 Ų | 158 | 121.5 Ų | 121.5 | 74% | 0.738 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -94.9 | -13.8 | 176.5 | -72.9 | 178.4 | 10.8 | 0 | 0 | 114 | Q38 Q39 Q40 | Q38-Q42 PolarHBondContact O-N 2.92Å; Q39-Q42 PolarHBondContact O-N 3.06Å; Q40-Q42 VanDerWaalsContact C-N 3.35Å |
| 43 | S | 51.1 | Low | 53.2 | Low | 98 Ų | 98 | 123 Ų | 123 | 69% | 0.685 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -102 | 1.9 | 178.4 | 61.8 | 0 | 0 | 0 | 0 | 115 | Q39 | Q39-S43 PolarHBondContact O-N 3.49Š|
| 44 | G | 45.3 | Very low | 51 | Low | 71 Ų | 71 | 122.7 Ų | 122.7 | 73% | 0.732 | 71% | 0.709 | S | S | * | * | trans | -110.6 | 54.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 45 | G | 41.2 | Very low | 48.8 | Very low | 63 Ų | 63 | 124.5 Ų | 124.5 | 65% | 0.649 | 72% | 0.719 | S | S | * | * | trans | -124.6 | 114.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 46 | V | 35.8 | Very low | 46.7 | Very low | 131 Ų | 131 | 125.3 Ų | 125.3 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | trans | 164.4 | 117.5 | 138.7 | 158.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 47 | L | 34 | Very low | 44.8 | Very low | 175 Ų | 175 | 126.3 Ų | 126.3 | 92% | 0.916 | 74% | 0.738 | S | S | * | * | trans | 75.4 | 128.4 | 165.6 | -54.2 | 161.8 | 0 | 0 | 0 | 116.5 | ||||
| 48 | G | 32.4 | Very low | 43 | Very low | 72 Ų | 72 | 128.3 Ų | 128.3 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | cis | 179.4 | 149.3 | 4.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 49 | Q | 33.3 | Very low | 40.9 | Very low | 190 Ų | 190 | 127.1 Ų | 127.1 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | trans | -55.9 | 150.3 | 173.7 | -73.3 | -174.2 | -9 | 0 | 0 | 112.3 | ||||
| 50 | V | 30.9 | Very low | 39.3 | Very low | 137 Ų | 137 | 126.6 Ų | 126.6 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | 174.3 | 136.2 | 118.9 | 152.6 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 51 | S | 29.6 | Very low | 37.8 | Very low | 109 Ų | 109 | 128.2 Ų | 128.2 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | trans | -88.8 | 170.4 | 172.5 | -88.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 52 | P | 55.2 | Low | 36.7 | Very low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | trans | -93.6 | 160.7 | -140.2 | 37.7 | -35.6 | 0 | 0 | 0 | 114.4 | ||||
| 53 | S | 29.4 | Very low | 35.5 | Very low | 121 Ų | 121 | 125.5 Ų | 125.5 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -152.3 | 139.2 | 159.1 | -70.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 54 | D | 34.7 | Very low | 34.5 | Very low | 157 Ų | 157 | 131.4 Ų | 131.4 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | trans | -55.1 | 146.5 | 171.2 | -57.8 | -76 | 0 | 0 | 0 | 112.5 | ||||
| 55 | D | 30.8 | Very low | 33.8 | Very low | 145 Ų | 145 | 135.7 Ų | 135.7 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | 174.9 | 167.1 | 121.7 | -132.4 | -64.2 | 0 | 0 | 0 | 111.9 | |||||
| 56 | H | 34.4 | Very low | 33.5 | Very low | 171 Ų | 171 | 140.5 Ų | 140.5 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | trans | -75.5 | 152.7 | -156.5 | -61.6 | -66.5 | 0 | 0 | 0 | 118.3 | ||||
| 57 | S | 33.7 | Very low | 33.7 | Very low | 108 Ų | 108 | 139.8 Ų | 139.8 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | trans | 48.2 | 113.3 | 135.6 | -176.7 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 58 | V | 35.6 | Very low | 33.6 | Very low | 151 Ų | 151 | 139.9 Ų | 139.9 | 92% | 0.915 | 80% | 0.795 | S | S | * | * | -149.8 | 128.3 | 125.4 | -102.1 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 59 | S | 29.4 | Very low | 33.7 | Very low | 84 Ų | 84 | 139.7 Ų | 139.7 | 59% | 0.587 | 79% | 0.792 | S | S | * | * | trans | -69.5 | 144.7 | -179 | -168.3 | 0 | 0 | 0 | 0 | 112.6 | H61 | S59-H61 PolarHBondContact OG-CD2 3.25Å; S59-H61 PolarHBondContact OG-NE2 3.47Å | ||
| 60 | A | 31.5 | Very low | 33.6 | Very low | 104 Ų | 104 | 140.1 Ų | 140.1 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -122.2 | 95.2 | 153.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 61 | H | 32.1 | Very low | 34.1 | Very low | 170 Ų | 170 | 142.3 Ų | 142.3 | 79% | 0.787 | 80% | 0.796 | S | S | * | * | trans | -77.9 | 121.6 | 168.6 | -75.6 | -64.7 | 0 | 0 | 0 | 110.4 | S59 | S59-H61 PolarHBondContact OG-CD2 3.25Å; S59-H61 PolarHBondContact OG-NE2 3.47Å | ||
| 62 | I | 33.1 | Very low | 34.3 | Very low | 176 Ų | 176 | 144.6 Ų | 144.6 | 90% | 0.903 | 80% | 0.798 | S | S | * | * | trans | -136.6 | 135.6 | 141.2 | -63.5 | -175.2 | 0 | 0 | 0 | 107.4 | ||||
| 63 | A | 32.7 | Very low | 33.2 | Very low | 86 Ų | 86 | 147.5 Ų | 147.5 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | -98.4 | 171.9 | -151.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 64 | R | 29 | Very low | 33.4 | Very low | 221 Ų | 221 | 148.8 Ų | 148.8 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | 83.1 | 132.6 | 147.7 | -126.5 | 175.5 | 171.4 | 158.9 | -0.4 | 115.2 | ||||
| 65 | Q | 30.4 | Very low | 33.2 | Very low | 162 Ų | 162 | 147.9 Ų | 147.9 | 76% | 0.757 | 80% | 0.8 | S | S | * | * | cis | -163.5 | 136.3 | 31.9 | -161.1 | 159 | 32.8 | 0 | 0 | 110.1 | ||||
| 66 | E | 36.5 | Very low | 33.1 | Very low | 163 Ų | 163 | 146.3 Ų | 146.3 | 76% | 0.762 | 80% | 0.801 | S | S | * | * | trans | -106.5 | 150 | 172.3 | -159.6 | -150.3 | 137.2 | 0 | 0 | 109.2 | Q68 | E66-Q68 PolarHBondContact OE1-N 2.99Š| ||
| 67 | P | 39.5 | Very low | 32.9 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | -120.1 | 106.8 | 148.4 | 29.3 | -14 | 0 | 0 | 0 | 109.9 | ||||
| 68 | Q | 31 | Very low | 32.9 | Very low | 177 Ų | 177 | 143.8 Ų | 143.8 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | 53 | 109.5 | 104.2 | -76.8 | -169.8 | -30.8 | 0 | 0 | 116 | E66 | E66-Q68 PolarHBondContact OE1-N 2.99Š| |||
| 69 | G | 35.1 | Very low | 32.8 | Very low | 67 Ų | 67 | 144 Ų | 144 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | trans | -82.5 | -177 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 70 | Q | 31.2 | Very low | 33.1 | Very low | 200 Ų | 200 | 149 Ų | 149 | 94% | 0.935 | 80% | 0.801 | S | S | * | * | trans | -172.5 | 134.2 | 142.5 | -106.1 | 155.8 | -2 | 0 | 0 | 111.7 | ||||
| 71 | E | 40.5 | Very low | 33.2 | Very low | 182 Ų | 182 | 151.2 Ų | 151.2 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -72.5 | 153.1 | 170.9 | -51.9 | 174.8 | 100.5 | 0 | 0 | 110.6 | ||||
| 72 | L | 34.3 | Very low | 33.3 | Very low | 157 Ų | 157 | 146 Ų | 146 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | 179.6 | 111.9 | 151.5 | -94.7 | 145.2 | 0 | 0 | 0 | 107.4 | ||||
| 73 | Q | 32.1 | Very low | 33.1 | Very low | 178 Ų | 178 | 143.8 Ų | 143.8 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | 37.6 | 116 | 93.2 | -75.9 | -172.7 | 21.5 | 0 | 0 | 114.4 | |||||
| 74 | T | 34.4 | Very low | 33.1 | Very low | 148 Ų | 148 | 146.4 Ų | 146.4 | 91% | 0.908 | 79% | 0.79 | S | S | * | * | trans | -136.9 | 110.1 | 150.2 | 41.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 75 | D | 29.5 | Very low | 33.4 | Very low | 139 Ų | 139 | 146.8 Ų | 146.8 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | -80.1 | 152.6 | 161.1 | -165 | -16.6 | 0 | 0 | 0 | 109.3 | ||||
| 76 | S | 28.4 | Very low | 33.6 | Very low | 112 Ų | 112 | 145.2 Ų | 145.2 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | 31.7 | 130.6 | 153.8 | -63.2 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 77 | G | 30.3 | Very low | 33.3 | Very low | 64 Ų | 64 | 141.1 Ų | 141.1 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | 114 | 119.7 | 121.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 78 | L | 35.3 | Very low | 32.9 | Very low | 161 Ų | 161 | 138.9 Ų | 138.9 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | 49.4 | 124.9 | 123.2 | -82.6 | 154.7 | 0 | 0 | 0 | 116.5 | |||||
| 79 | E | 33.3 | Very low | 33.1 | Very low | 156 Ų | 156 | 139.8 Ų | 139.8 | 73% | 0.729 | 80% | 0.797 | S | S | * | * | cis | -169.7 | 144.9 | 38.3 | -53.5 | -164.7 | 151.4 | 0 | 0 | 111.3 | ||||
| 80 | K | 34.6 | Very low | 33 | Very low | 190 Ų | 190 | 140.1 Ų | 140.1 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | 49.9 | 105.3 | 125.5 | -159.7 | -179.9 | -174.1 | -171.9 | 0 | 120.4 | |||||
| 81 | V | 33.4 | Very low | 33.1 | Very low | 150 Ų | 150 | 134.8 Ų | 134.8 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | -140.5 | 119.6 | 122.4 | -176.8 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 82 | G | 33.8 | Very low | 32.6 | Very low | 60 Ų | 60 | 130 Ų | 130 | 62% | 0.619 | 80% | 0.798 | S | S | * | * | trans | -105.1 | 168.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 83 | V | 29.8 | Very low | 33 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 79% | 0.788 | 80% | 0.804 | S | S | * | * | trans | -157.2 | 119 | 147 | 162.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 84 | I | 32.7 | Very low | 32.9 | Very low | 141 Ų | 141 | 124.4 Ų | 124.4 | 72% | 0.723 | 81% | 0.805 | S | S | * | * | trans | 74.9 | 100.1 | 150.5 | -62.9 | 171.4 | 0 | 0 | 0 | 118.4 | ||||
| 85 | R | 35.4 | Very low | 32.7 | Very low | 228 Ų | 228 | 121.1 Ų | 121.1 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | 74.8 | 127.5 | 87 | -109.1 | -158.4 | -92.2 | -156.1 | -3.2 | 111.5 | |||||
| 86 | V | 34.7 | Very low | 32.8 | Very low | 129 Ų | 129 | 118.5 Ų | 118.5 | 78% | 0.782 | 81% | 0.807 | S | S | * | * | cis | -154.5 | 126.2 | 25.4 | 162.1 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 87 | G | 30.8 | Very low | 32.9 | Very low | 78 Ų | 78 | 116.4 Ų | 116.4 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | 92.4 | 127.3 | 87.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 88 | G | 31.4 | Very low | 32.9 | Very low | 69 Ų | 69 | 118.9 Ų | 118.9 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | cis | -174.2 | 150.7 | -0.3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 89 | H | 35.3 | Very low | 32.8 | Very low | 197 Ų | 197 | 118.3 Ų | 118.3 | 91% | 0.912 | 81% | 0.811 | S | S | * | * | trans | -0.1 | 143.8 | 152.8 | -56.3 | 124.1 | 0 | 0 | 0 | 118.6 | ||||
| 90 | G | 32.3 | Very low | 32.7 | Very low | 74 Ų | 74 | 114.2 Ų | 114.2 | 76% | 0.763 | 81% | 0.811 | S | S | * | * | cis | 118.6 | 128.9 | 49.9 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 91 | G | 32 | Very low | 32.6 | Very low | 87 Ų | 87 | 110.7 Ų | 110.7 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | 101.6 | 129.5 | 72.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 92 | G | 30.8 | Very low | 32.4 | Very low | 82 Ų | 82 | 109.4 Ų | 109.4 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | 156.5 | 109 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 93 | S | 42.1 | Very low | 32.2 | Very low | 134 Ų | 134 | 109.8 Ų | 109.8 | 94% | 0.937 | 81% | 0.811 | S | S | * | * | trans | -61.2 | 163.7 | 170.3 | -67.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 94 | G | 30.9 | Very low | 32.1 | Very low | 84 Ų | 84 | 113.1 Ų | 113.1 | 87% | 0.866 | 82% | 0.818 | S | S | * | * | trans | 116.8 | 133 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 95 | G | 30.3 | Very low | 32.1 | Very low | 78 Ų | 78 | 110.7 Ų | 110.7 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | cis | 146.6 | 133.8 | 15.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 96 | G | 31.1 | Very low | 31.9 | Very low | 85 Ų | 85 | 105.3 Ų | 105.3 | 88% | 0.876 | 82% | 0.816 | S | S | * | * | trans | 76.4 | 146.5 | 155.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 97 | G | 30.1 | Very low | 31.9 | Very low | 67 Ų | 67 | 104.9 Ų | 104.9 | 69% | 0.691 | 82% | 0.819 | S | S | * | * | trans | 84.2 | 104.3 | 154.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 98 | C | 31.1 | Very low | 31.8 | Very low | 116 Ų | 116 | 105 Ų | 105 | 78% | 0.784 | 82% | 0.819 | S | S | * | * | 70.4 | 140.8 | 78.4 | 83.4 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 99 | V | 33.6 | Very low | 31.8 | Very low | 149 Ų | 149 | 105.8 Ų | 105.8 | 90% | 0.903 | 83% | 0.828 | S | S | * | * | trans | 66.4 | 137.9 | 171.9 | -51.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 100 | G | 31.1 | Very low | 31.5 | Very low | 71 Ų | 71 | 99.9 Ų | 99.9 | 73% | 0.732 | 82% | 0.82 | S | S | * | * | cis | 157.8 | 159.3 | 7.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 101 | S | 31.2 | Very low | 31.5 | Very low | 115 Ų | 115 | 102.7 Ų | 102.7 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | 79.8 | 107.1 | 156.9 | -98.5 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 102 | C | 29.3 | Very low | 31.4 | Very low | 123 Ų | 123 | 101.9 Ų | 101.9 | 83% | 0.831 | 82% | 0.82 | S | S | * | * | 32.7 | 146.1 | 119.3 | 69.2 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 103 | G | 29.6 | Very low | 31.5 | Very low | 69 Ų | 69 | 105.3 Ų | 105.3 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | trans | 129.5 | 92.9 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 104 | E | 29.4 | Very low | 31.1 | Very low | 200 Ų | 200 | 102.7 Ų | 102.7 | 94% | 0.935 | 82% | 0.818 | S | S | * | * | 71.6 | 140.8 | 66.3 | -141.9 | -178.1 | -171.3 | 0 | 0 | 114.5 | |||||
| 105 | A | 32.1 | Very low | 31.2 | Very low | 90 Ų | 90 | 101.4 Ų | 101.4 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | trans | 79.3 | 112.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 106 | S | 31.6 | Very low | 31.4 | Very low | 114 Ų | 114 | 106.4 Ų | 106.4 | 80% | 0.797 | 81% | 0.811 | S | S | * | * | 95 | 137.2 | 59.8 | -93.3 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 107 | S | 33.8 | Very low | 31.4 | Very low | 121 Ų | 121 | 109 Ų | 109 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | 73.2 | 116.2 | 152.8 | 59.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 108 | G | 29.5 | Very low | 31.6 | Very low | 79 Ų | 79 | 114.8 Ų | 114.8 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | 120.5 | 114.2 | 96.9 | 0 | 0 | 0 | 0 | 0 | 117 | |||||
| 109 | G | 30.3 | Very low | 31.7 | Very low | 86 Ų | 86 | 112.8 Ų | 112.8 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | trans | 74.7 | 138.9 | 152.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 110 | G | 29.8 | Very low | 31.5 | Very low | 73 Ų | 73 | 114.7 Ų | 114.7 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | cis | 139.7 | 127.8 | 18.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 111 | S | 32.4 | Very low | 31.6 | Very low | 134 Ų | 134 | 117 Ų | 117 | 94% | 0.937 | 82% | 0.821 | S | S | * | * | trans | 74.7 | 114.4 | 164.4 | -65.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 112 | G | 29.8 | Very low | 32.1 | Very low | 70 Ų | 70 | 117.5 Ų | 117.5 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | 124.2 | 120.1 | 108.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 113 | V | 33.1 | Very low | 32.4 | Very low | 154 Ų | 154 | 116.3 Ų | 116.3 | 93% | 0.933 | 81% | 0.807 | S | S | * | * | trans | 95.9 | 121 | 151.9 | -178.9 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 114 | G | 33.3 | Very low | 33.2 | Very low | 78 Ų | 78 | 120.6 Ų | 120.6 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -73.6 | 157.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 115 | G | 31.8 | Very low | 34.2 | Very low | 58 Ų | 58 | 118.8 Ų | 118.8 | 60% | 0.598 | 81% | 0.805 | S | S | * | * | trans | -163.7 | 96.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | T117 | G115-T117 PolarHBondContact O-N 3.48Š| ||
| 116 | I | 35.1 | Very low | 35.4 | Very low | 182 Ų | 182 | 121.6 Ų | 121.6 | 93% | 0.933 | 81% | 0.807 | S | S | * | * | trans | 4.2 | 106.9 | 150.7 | 22.8 | 173.5 | 0 | 0 | 0 | 115.3 | ||||
| 117 | T | 32.1 | Very low | 36.9 | Very low | 139 Ų | 139 | 122.9 Ų | 122.9 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | trans | -104.7 | 122.8 | 165.8 | 49.6 | 0 | 0 | 0 | 0 | 111.4 | G115 | G115-T117 PolarHBondContact O-N 3.48Š| ||
| 118 | Q | 33.7 | Very low | 38.6 | Very low | 189 Ų | 189 | 120.1 Ų | 120.1 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -46.5 | 131.7 | 166.3 | -159.7 | 169 | 11.2 | 0 | 0 | 111.3 | Q120 | Q118-Q120 PolarHBondContact O-N 3.26Š|
| 119 | G | 32.3 | Very low | 41.1 | Very low | 75 Ų | 75 | 121 Ų | 121 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 125.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 120 | Q | 30.7 | Very low | 43 | Very low | 188 Ų | 188 | 125.8 Ų | 125.8 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 136.6 | 169 | -103.3 | 139.6 | 2 | 0 | 0 | 111.1 | Q118 | Q118-Q120 PolarHBondContact O-N 3.26Š|
| 121 | C | 31.9 | Very low | 45.4 | Very low | 119 Ų | 119 | 127.1 Ų | 127.1 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 129.7 | 162.7 | -56.3 | 0 | 0 | 0 | 0 | 110.3 | N123 | C121-N123 PolarHBondContact O-N 3.39Š|
| 122 | P | 42.5 | Very low | 47.7 | Very low | 127 Ų | 127 | 126.5 Ų | 126.5 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | trans | -72.2 | 113.5 | 163.4 | -5.7 | 21.7 | 0 | 0 | 0 | 108.5 | ||||
| 123 | N | 34.8 | Very low | 50.2 | Low | 97 Ų | 97 | 124.9 Ų | 124.9 | 52% | 0.519 | 72% | 0.715 | S | S | . | * | trans | 14.6 | 116.8 | 146.8 | -166 | -88.6 | 0 | 0 | 0 | 117.3 | C121 E125 D126 | C121-N123 PolarHBondContact O-N 3.39Å; N123-E125 PolarHBondContact ND2-OE2 2.87Å; N123-E125 PolarHBondContact O-N 3.23Å; N123-E125 WeakPolarHBondContact OD1-CA 3.26Å; N123-E125 VanDerWaalsContact OD1-CB 3.3Å; N123-E125 WeakPolarHBondContact OD1-CB 3.4Å; N123-E125 PolarHBondContact OD1-N 3.2Å; N123-D126 PolarHBondContact OD1-N 3.29Å | ||
| 124 | L | 47 | Very low | 52.7 | Low | 160 Ų | 160 | 122.2 Ų | 122.2 | 84% | 0.838 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 6.8 | 176.6 | -151.6 | 84.7 | 0 | 0 | 0 | 113 | ||
| 125 | E | 50.7 | Low | 55.1 | Low | 162 Ų | 162 | 123 Ų | 123 | 76% | 0.757 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.9 | 1.7 | -169.9 | -68.9 | 143 | 135.6 | 0 | 0 | 114 | N123 | N123-E125 PolarHBondContact ND2-OE2 2.87Å; N123-E125 PolarHBondContact O-N 3.23Å; N123-E125 WeakPolarHBondContact OD1-CA 3.26Å; N123-E125 VanDerWaalsContact OD1-CB 3.3Å; N123-E125 WeakPolarHBondContact OD1-CB 3.4Å; N123-E125 PolarHBondContact OD1-N 3.2Å |
| 126 | D | 57.7 | Low | 57.2 | Low | 149 Ų | 149 | 125.5 Ų | 125.5 | 80% | 0.797 | 68% | 0.675 | S | S | * | * | trans | -112 | 34.4 | -178.3 | -129.2 | 6.4 | 0 | 0 | 0 | 113.1 | N123 | N123-D126 PolarHBondContact OD1-N 3.29Š| ||
| 127 | L | 62.6 | Low | 59.2 | Low | 140 Ų | 140 | 120.8 Ų | 120.8 | 73% | 0.733 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -92.1 | 129.2 | 168.4 | -76.5 | 164.1 | 0 | 0 | 0 | 109.2 | T129 | L127-T129 PolarHBondContact O-N 3.41Š|
| 128 | P | 70.7 | Confident | 61.1 | Low | 63 Ų | 63 | 121 Ų | 121 | 41% | 0.409 | 65% | 0.65 | S | S | . | * | P | Polyproline II helix | trans | -53.6 | 133.3 | 177.8 | -21.8 | 29.4 | 0 | 0 | 0 | 110.1 | Y130 E132 A133 | P128-Y130 PolarHBondContact O-N 2.84Å; P128-E132 HydrophobicContact CB-CB 4.06Å; P128-A133 HydrophobicContact CB-CB 4.38Å |
| 129 | T | 80.4 | Confident | 62.8 | Low | 98 Ų | 98 | 119.6 Ų | 119.6 | 60% | 0.601 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 146.3 | 176.6 | -62.1 | 0 | 0 | 0 | 0 | 108.5 | L127 E131 E132 A133 | L127-T129 PolarHBondContact O-N 3.41Å; T129-E131 CarbonylContact O-C 3.53Å; T129-E131 PolarHBondContact O-N 3.37Å; T129-E132 PolarHBondContact N-OE2 2.97Å; T129-E132 WeakPolarHBondContact O-CA 3.46Å; T129-E132 WeakPolarHBondContact O-CB 3.42Å; T129-E132 PolarHBondContact O-N 3.09Å; T129-A133 PolarHBondContact O-N 3.21Å |
| 130 | Y | 70.4 | Confident | 64.1 | Low | 187 Ų | 187 | 123.1 Ų | 123.1 | 73% | 0.733 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -46.6 | -35 | -177.7 | 175.4 | -99.1 | 0 | 0 | 0 | 113.8 | P128 K134 | P128-Y130 PolarHBondContact O-N 2.84Å; Y130-K134 VanDerWaalsContact O-CB 3.29Å; Y130-K134 WeakPolarHBondContact O-CB 3.36Å; Y130-K134 PolarHBondContact O-N 3.25Å; Y130-K134 VanDerWaalsContact O-N 3.08Å |
| 131 | E | 80.9 | Confident | 65.7 | Low | 100 Ų | 100 | 124.8 Ų | 124.8 | 47% | 0.467 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -70.8 | -39.4 | 173 | -82.6 | -64 | 174.3 | 0 | 0 | 114.1 | T129 K134 V135 | T129-E131 CarbonylContact O-C 3.53Å; T129-E131 PolarHBondContact O-N 3.37Å; E131-K134 VanDerWaalsContact CD-NZ 3.26Å; E131-K134 PolarHBondContact O-N 2.9Å; E131-K134 IonicContact OE1-NZ 2.65Å; E131-K134 PolarHBondContact OE1-NZ 3.35Å; E131-K134 IonicContact OE2-NZ 3.3Å; E131-K134 PolarHBondContact OE2-NZ 2.84Å; E131-V135 VanDerWaalsContact O-CG2 3.3Å; E131-V135 WeakPolarHBondContact O-CG2 3.44Å; E131-V135 PolarHBondContact O-N 3.32Å |
| 132 | E | 80.3 | Confident | 66.4 | Low | 122 Ų | 122 | 122.3 Ų | 122.3 | 57% | 0.57 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.3 | -42 | 173.4 | -79.6 | -176.4 | 137.8 | 0 | 0 | 112.2 | P128 T129 K134 V135 Q136 | P128-E132 HydrophobicContact CB-CB 4.06Å; T129-E132 PolarHBondContact N-OE2 2.97Å; T129-E132 WeakPolarHBondContact O-CA 3.46Å; T129-E132 WeakPolarHBondContact O-CB 3.42Å; T129-E132 PolarHBondContact O-N 3.09Å; E132-K134 VanDerWaalsContact C-N 3.26Å; E132-K134 PolarHBondContact O-N 3Å; E132-V135 PolarHBondContact O-N 3.37Å; E132-Q136 PolarHBondContact O-N 3.32Å |
| 133 | A | 82.4 | Confident | 66.7 | Low | 36 Ų | 36 | 123 Ų | 123 | 30% | 0.298 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -62.9 | -35.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P128 T129 S137 | P128-A133 HydrophobicContact CB-CB 4.38Å; T129-A133 PolarHBondContact O-N 3.21Å; A133-S137 WeakPolarHBondContact O-CB 3.22Å; A133-S137 PolarHBondContact O-N 2.99Å; A133-S137 PolarHBondContact O-OG 3.43Å |
| 134 | K | 86.8 | Confident | 66.8 | Low | 98 Ų | 98 | 121.7 Ų | 121.7 | 43% | 0.426 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -70.1 | -40.5 | 175.7 | -177.5 | 174.2 | 134.3 | -126.9 | 0 | 111.9 | Y130 E131 E132 S137 Q138 | Y130-K134 VanDerWaalsContact O-CB 3.29Å; Y130-K134 WeakPolarHBondContact O-CB 3.36Å; Y130-K134 PolarHBondContact O-N 3.25Å; Y130-K134 VanDerWaalsContact O-N 3.08Å; E131-K134 VanDerWaalsContact CD-NZ 3.26Å; E131-K134 PolarHBondContact O-N 2.9Å; E131-K134 IonicContact OE1-NZ 2.65Å; E131-K134 PolarHBondContact OE1-NZ 3.35Å; E131-K134 IonicContact OE2-NZ 3.3Å; E131-K134 PolarHBondContact OE2-NZ 2.84Å; E132-K134 VanDerWaalsContact C-N 3.26Å; E132-K134 PolarHBondContact O-N 3Å; K134-S137 PolarHBondContact O-N 3.35Å; K134-Q138 WeakPolarHBondContact O-CB 3.44Å; K134-Q138 PolarHBondContact O-N 2.91Å |
| 135 | V | 83.1 | Confident | 66.3 | Low | 93 Ų | 93 | 119.4 Ų | 119.4 | 56% | 0.564 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.2 | -44.5 | 174.2 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | E131 E132 S137 Q138 Y139 | E131-V135 VanDerWaalsContact O-CG2 3.3Å; E131-V135 WeakPolarHBondContact O-CG2 3.44Å; E131-V135 PolarHBondContact O-N 3.32Å; E132-V135 PolarHBondContact O-N 3.37Å; V135-S137 PolarHBondContact O-N 2.88Å; V135-Q138 PolarHBondContact O-N 3.48Å; V135-Y139 PolarHBondContact O-N 3.03Å |
| 136 | Q | 74.4 | Confident | 65.9 | Low | 112 Ų | 112 | 117.4 Ų | 117.4 | 52% | 0.523 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -60 | -45.4 | 173.4 | -87.6 | -176.7 | -20.2 | 0 | 0 | 111.8 | E132 Q138 Y139 F140 | E132-Q136 PolarHBondContact O-N 3.32Å; Q136-Q138 PolarHBondContact O-N 3.36Å; Q136-Y139 WeakPolarHBondContact O-CB 3.49Å; Q136-Y139 PolarHBondContact O-N 3.09Å; Q136-Y139 VanDerWaalsContact O-N 3.17Å; Q136-F140 VanDerWaalsContact O-CD2 3.3Å; Q136-F140 WeakPolarHBondContact O-CD2 3.47Å; Q136-F140 PolarHBondContact O-N 2.83Å |
| 137 | S | 77.9 | Confident | 65.2 | Low | 82 Ų | 82 | 116.5 Ų | 116.5 | 57% | 0.573 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -63.4 | -30.1 | 177.9 | -64.2 | 0 | 0 | 0 | 0 | 113 | A133 K134 V135 R141 | A133-S137 WeakPolarHBondContact O-CB 3.22Å; A133-S137 PolarHBondContact O-N 2.99Å; A133-S137 PolarHBondContact O-OG 3.43Å; K134-S137 PolarHBondContact O-N 3.35Å; V135-S137 PolarHBondContact O-N 2.88Å; S137-R141 PolarHBondContact O-N 3.16Å |
| 138 | Q | 71.6 | Confident | 63.9 | Low | 144 Ų | 144 | 119.7 Ų | 119.7 | 67% | 0.673 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -77.4 | -33.3 | 176.2 | -160.3 | 170.8 | 53.4 | 0 | 0 | 112.1 | K134 V135 Q136 R141 | K134-Q138 WeakPolarHBondContact O-CB 3.44Å; K134-Q138 PolarHBondContact O-N 2.91Å; V135-Q138 PolarHBondContact O-N 3.48Å; Q136-Q138 PolarHBondContact O-N 3.36Å; Q138-R141 PolarHBondContact O-N 2.83Å |
| 139 | Y | 70.1 | Confident | 62.2 | Low | 159 Ų | 159 | 120.3 Ų | 120.3 | 62% | 0.624 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -65.4 | -41.5 | 175.8 | -171.4 | -96.6 | 0 | 0 | 0 | 112.4 | V135 Q136 R141 | V135-Y139 PolarHBondContact O-N 3.03Å; Q136-Y139 WeakPolarHBondContact O-CB 3.49Å; Q136-Y139 PolarHBondContact O-N 3.09Å; Q136-Y139 VanDerWaalsContact O-N 3.17Å; Y139-R141 PolarHBondContact O-N 2.89Å |
| 140 | F | 60.2 | Low | 59.9 | Low | 149 Ų | 149 | 125.1 Ų | 125.1 | 65% | 0.654 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -77.1 | -19.1 | 179.6 | -77.9 | -78.3 | 0 | 0 | 0 | 114.4 | Q136 G142 | Q136-F140 VanDerWaalsContact O-CD2 3.3Å; Q136-F140 WeakPolarHBondContact O-CD2 3.47Å; Q136-F140 PolarHBondContact O-N 2.83Å; F140-G142 PolarHBondContact O-N 2.65Å |
| 141 | R | 63.4 | Low | 58.3 | Low | 223 Ų | 223 | 120.6 Ų | 120.6 | 84% | 0.842 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -20 | 177 | -172.1 | 179 | -73.2 | -110.9 | 1.5 | 113.1 | S137 Q138 Y139 | S137-R141 PolarHBondContact O-N 3.16Å; Q138-R141 PolarHBondContact O-N 2.83Å; Y139-R141 PolarHBondContact O-N 2.89Å |
| 142 | G | 47.5 | Very low | 56 | Low | 68 Ų | 68 | 125.4 Ų | 125.4 | 70% | 0.701 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.5 | -14.1 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | F140 G144 | F140-G142 PolarHBondContact O-N 2.65Å; G142-G144 PolarHBondContact O-N 3.18Å |
| 143 | H | 47.8 | Very low | 53.6 | Low | 141 Ų | 141 | 127.9 Ų | 127.9 | 65% | 0.653 | 71% | 0.707 | S | S | * | * | trans | -95.4 | 71.7 | 179.6 | -76.7 | -74.8 | 0 | 0 | 0 | 111 | ||||
| 144 | G | 36.8 | Very low | 51.9 | Low | 70 Ų | 70 | 131.1 Ų | 131.1 | 72% | 0.722 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 128.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | G142 | G142-G144 PolarHBondContact O-N 3.18Š|
| 145 | S | 37.8 | Very low | 49.2 | Very low | 112 Ų | 112 | 131.1 Ų | 131.1 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 146.5 | 173.6 | 7.5 | 0 | 0 | 0 | 0 | 112.5 | ||
| 146 | P | 41.3 | Very low | 46.9 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -74 | 146.4 | 171.8 | 30.2 | -31.3 | 0 | 0 | 0 | 110.7 | ||
| 147 | P | 43.3 | Very low | 45.9 | Very low | 131 Ų | 131 | 134.9 Ų | 134.9 | 85% | 0.851 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 130.9 | 173.2 | 29.6 | -29.9 | 0 | 0 | 0 | 110.7 | ||
| 148 | Q | 35.8 | Very low | 43.8 | Very low | 206 Ų | 206 | 135.5 Ų | 135.5 | 96% | 0.963 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 133.9 | 162.2 | -88.7 | -178.6 | -30 | 0 | 0 | 109.9 | ||
| 149 | G | 33.4 | Very low | 41.9 | Very low | 77 Ų | 77 | 133.8 Ų | 133.8 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | -170.7 | 116.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 150 | Q | 33.2 | Very low | 40.2 | Very low | 199 Ų | 199 | 134.5 Ų | 134.5 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | trans | -74.5 | 146.1 | -178.8 | -69.3 | 165.9 | -34.8 | 0 | 0 | 112.9 | ||||
| 151 | A | 35.4 | Very low | 38.8 | Very low | 92 Ų | 92 | 130.9 Ų | 130.9 | 76% | 0.76 | 80% | 0.796 | S | S | * | * | 155.9 | 128.9 | 113.4 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 152 | Q | 32.5 | Very low | 37.4 | Very low | 200 Ų | 200 | 125 Ų | 125 | 94% | 0.935 | 80% | 0.795 | S | S | * | * | trans | 61.7 | 131.3 | 145.9 | -81.1 | 167.3 | 5.4 | 0 | 0 | 124.6 | ||||
| 153 | Q | 30.1 | Very low | 36.6 | Very low | 175 Ų | 175 | 126 Ų | 126 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -70.2 | -179.6 | 172.4 | -78.7 | -100.7 | 4.8 | 0 | 0 | 114.2 | ||||
| 154 | P | 48.6 | Very low | 35.7 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | cis | -139.3 | 173 | 4.6 | 27.9 | -2.9 | 0 | 0 | 0 | 118.7 | ||||
| 155 | S | 29.8 | Very low | 35.7 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 68% | 0.678 | 81% | 0.812 | S | S | * | * | trans | 84.8 | 118.8 | 139.4 | 61.8 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 156 | L | 33.2 | Very low | 35.5 | Very low | 168 Ų | 168 | 136.3 Ų | 136.3 | 88% | 0.88 | 81% | 0.811 | S | S | * | * | trans | 89.9 | 154.8 | 134.8 | -68.7 | 174.6 | 0 | 0 | 0 | 122.7 | ||||
| 157 | P | 55 | Low | 35 | Very low | 116 Ų | 116 | 137 Ų | 137 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | trans | -121 | 165.3 | -136.8 | 43.3 | -31.7 | 0 | 0 | 0 | 116.8 | ||||
| 158 | A | 33.1 | Very low | 34.6 | Very low | 95 Ų | 95 | 133.4 Ų | 133.4 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -169.3 | 126.2 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 159 | S | 30.8 | Very low | 34.5 | Very low | 108 Ų | 108 | 131.1 Ų | 131.1 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | cis | 70.8 | 128.4 | 48.8 | -152.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 160 | L | 34.8 | Very low | 34.5 | Very low | 175 Ų | 175 | 133.1 Ų | 133.1 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | trans | 80.6 | 136.3 | 170.8 | -56.9 | 152.9 | 0 | 0 | 0 | 116.1 | ||||
| 161 | G | 31.3 | Very low | 34.3 | Very low | 73 Ų | 73 | 128.7 Ų | 128.7 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | cis | -173.7 | 163 | 8.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 162 | A | 34 | Very low | 34.1 | Very low | 99 Ų | 99 | 130.8 Ų | 130.8 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -80.3 | 156.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 163 | A | 30.3 | Very low | 34.6 | Very low | 88 Ų | 88 | 131.2 Ų | 131.2 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | 176.9 | 102 | 139.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 164 | F | 30.2 | Very low | 35.2 | Very low | 181 Ų | 181 | 129.4 Ų | 129.4 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | 40.8 | 98.7 | 86.1 | -86.8 | -86 | 0 | 0 | 0 | 115.2 | |||||
| 165 | Y | 35.3 | Very low | 34.6 | Very low | 230 Ų | 230 | 134 Ų | 134 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | -143.6 | 116.7 | 129.6 | -84.9 | -75.7 | 0 | 0 | 0 | 109.5 | |||||
| 166 | V | 33.4 | Very low | 35 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | trans | -96.4 | 127.8 | 159.5 | 155.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 167 | T | 32.4 | Very low | 35.1 | Very low | 134 Ų | 134 | 134 Ų | 134 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -148.6 | 124.4 | 157.4 | -68 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 168 | G | 34.2 | Very low | 34.1 | Very low | 55 Ų | 55 | 132 Ų | 132 | 57% | 0.567 | 78% | 0.782 | S | S | * | * | trans | -98.9 | -178.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 169 | L | 32.6 | Very low | 34.3 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | 89.9 | 123.1 | 153.4 | -70.8 | 131.3 | 0 | 0 | 0 | 120.1 | ||||
| 170 | T | 34 | Very low | 34.8 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 73% | 0.73 | 79% | 0.787 | S | S | * | * | trans | 86.3 | 108.3 | 138.7 | 57.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 171 | S | 30.3 | Very low | 35.2 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | 34 | 126.4 | 129.5 | -54.5 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 172 | T | 31.3 | Very low | 35.6 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 83% | 0.828 | 78% | 0.777 | S | S | * | * | 166.7 | 144.7 | 105.5 | 38.9 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 173 | K | 42.7 | Very low | 35.5 | Very low | 209 Ų | 209 | 143 Ų | 143 | 91% | 0.909 | 78% | 0.777 | S | S | * | * | trans | -58.9 | 132.6 | 172.2 | -75.9 | 178.7 | 169.2 | -177.8 | 0 | 110.3 | ||||
| 174 | V | 41.8 | Very low | 35.8 | Very low | 138 Ų | 138 | 149.2 Ų | 149.2 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | -128.8 | 116.9 | 155.2 | -175.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 175 | R | 36.8 | Very low | 36 | Very low | 199 Ų | 199 | 147 Ų | 147 | 75% | 0.751 | 78% | 0.783 | S | S | * | * | trans | -76.1 | 151 | 165.3 | 175.2 | -173.9 | 171 | 103.2 | 3.3 | 108.1 | E177 | R175-E177 IonicContact NH2-OE1 2.87Š| ||
| 176 | T | 37.2 | Very low | 36.3 | Very low | 107 Ų | 107 | 141 Ų | 141 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | trans | 148 | 101 | 135.8 | -66.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 177 | E | 35.2 | Very low | 36.3 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | 103 | 134.5 | 90.1 | -75.3 | -177.8 | -165.1 | 0 | 0 | 112.8 | R175 | R175-E177 IonicContact NH2-OE1 2.87Š| |||
| 178 | G | 33.3 | Very low | 37 | Very low | 75 Ų | 75 | 138.9 Ų | 138.9 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | 174.2 | 68.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 179 | R | 38.9 | Very low | 37.2 | Very low | 214 Ų | 214 | 139 Ų | 139 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | trans | -71.5 | 152.1 | 170.7 | -134 | -171.7 | -171.4 | -172.1 | 4.1 | 109.2 | ||||
| 180 | P | 40.3 | Very low | 38.1 | Very low | 129 Ų | 129 | 141.5 Ų | 141.5 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | -123.3 | 141.7 | 120.3 | 29.1 | -18.6 | 0 | 0 | 0 | 112.1 | |||||
| 181 | T | 43.6 | Very low | 39 | Very low | 94 Ų | 94 | 142.5 Ų | 142.5 | 58% | 0.577 | 79% | 0.785 | S | S | * | * | trans | -69.5 | 130 | -173.5 | -56.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 182 | L | 39 | Very low | 40.3 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 89% | 0.885 | 77% | 0.772 | S | S | * | * | trans | -145.4 | 104.3 | 138 | -80.3 | -174 | 0 | 0 | 0 | 110.9 | ||||
| 183 | Q | 33.3 | Very low | 41.6 | Very low | 174 Ų | 174 | 145 Ų | 145 | 81% | 0.813 | 78% | 0.775 | S | S | * | * | trans | 35 | 104.5 | 141.5 | -137.1 | 159.1 | 24.9 | 0 | 0 | 119.8 | ||||
| 184 | R | 37.2 | Very low | 42.4 | Very low | 220 Ų | 220 | 138.9 Ų | 138.9 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | trans | -72.7 | 118.1 | 159.1 | -176.3 | -166.4 | -69.4 | -177 | -3.4 | 108.6 | ||||
| 185 | V | 33.7 | Very low | 43.8 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 81% | 0.812 | 73% | 0.733 | S | S | * | * | trans | -96.7 | 116.2 | 147.5 | 157.4 | 0 | 0 | 0 | 0 | 106.5 | G187 | V185-G187 PolarHBondContact O-N 3.39Š| ||
| 186 | S | 40.5 | Very low | 45.5 | Very low | 103 Ų | 103 | 129 Ų | 129 | 72% | 0.72 | 72% | 0.721 | S | S | * | * | trans | -74.1 | 111.5 | 169.2 | -67 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 187 | G | 33.3 | Very low | 47 | Very low | 63 Ų | 63 | 128.5 Ų | 128.5 | 65% | 0.649 | 71% | 0.714 | S | S | * | * | trans | -131.9 | 121.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | V185 G189 | V185-G187 PolarHBondContact O-N 3.39Å; G187-G189 PolarHBondContact O-N 3.02Å | ||
| 188 | T | 47.7 | Very low | 48.9 | Very low | 156 Ų | 156 | 125.8 Ų | 125.8 | 96% | 0.957 | 70% | 0.7 | S | S | * | * | trans | -51.5 | 119.5 | 175.6 | 47.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 189 | G | 37.9 | Very low | 50.9 | Low | 57 Ų | 57 | 127 Ų | 127 | 59% | 0.588 | 69% | 0.688 | S | S | * | * | trans | -174.2 | 109.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G187 V191 | G187-G189 PolarHBondContact O-N 3.02Å; G189-V191 PolarHBondContact O-N 3.01Å | ||
| 190 | K | 53.3 | Low | 52.9 | Low | 211 Ų | 211 | 122.6 Ų | 122.6 | 92% | 0.917 | 68% | 0.68 | S | S | * | * | trans | -63.4 | 87.1 | 159.7 | -77.5 | -173.4 | 175.7 | 179.9 | 0 | 107.9 | H192 | K190-H192 PolarHBondContact O-N 3.43Š| ||
| 191 | V | 52 | Low | 55 | Low | 140 Ų | 140 | 123.3 Ų | 123.3 | 85% | 0.848 | 67% | 0.67 | S | S | * | * | trans | -79.7 | 113.3 | 168.3 | -84.3 | 0 | 0 | 0 | 0 | 108.6 | G189 Q193 | G189-V191 PolarHBondContact O-N 3.01Å; V191-Q193 PolarHBondContact O-N 2.99Å | ||
| 192 | H | 58 | Low | 56.8 | Low | 104 Ų | 104 | 123.5 Ų | 123.5 | 48% | 0.481 | 67% | 0.665 | S | S | . | * | trans | -49.4 | 109.7 | -175 | -106.9 | 55.4 | 0 | 0 | 0 | 112.6 | K190 D194 D195 | K190-H192 PolarHBondContact O-N 3.43Å; H192-D194 PolarHBondContact O-N 3.04Å; H192-D195 HydrophobicContact CB-CB 3.88Å; H192-D195 WeakPolarHBondContact CB-OD2 3.46Å; H192-D195 IonicContact CD2-OD1 3.81Å; H192-D195 PolarHBondContact CD2-OD1 3.43Å; H192-D195 IonicContact CD2-OD2 2.88Å; H192-D195 IonicContact CG-OD1 3.16Å; H192-D195 IonicContact CG-OD2 3.28Å; H192-D195 PolarHBondContact O-N 2.96Å | ||
| 193 | Q | 58.7 | Low | 59.2 | Low | 190 Ų | 190 | 116.9 Ų | 116.9 | 89% | 0.888 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -60.1 | -21.7 | 157.9 | -81.8 | -170.3 | 30.9 | 0 | 0 | 111.7 | V191 D195 | V191-Q193 PolarHBondContact O-N 2.99Å; Q193-D195 VanDerWaalsContact C-N 3.32Å |
| 194 | D | 59.5 | Low | 62 | Low | 81 Ų | 81 | 115.3 Ų | 115.3 | 43% | 0.433 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -71.9 | -25.6 | 179.4 | -153.2 | -109.2 | 0 | 0 | 0 | 112.4 | H192 L197 K198 | H192-D194 PolarHBondContact O-N 3.04Å; D194-L197 PolarHBondContact O-N 3.39Å; D194-K198 WeakPolarHBondContact O-CB 3.47Å; D194-K198 WeakPolarHBondContact O-CD 3.41Å; D194-K198 VanDerWaalsContact O-CG 3.26Å; D194-K198 WeakPolarHBondContact O-CG 3.4Å; D194-K198 PolarHBondContact O-N 2.9Å; D194-K198 WeakPolarHBondContact OD1-CE 3.47Å; D194-K198 IonicContact OD1-NZ 3.56Å; D194-K198 PolarHBondContact OD1-NZ 3.5Å |
| 195 | D | 70 | Confident | 64.6 | Low | 81 Ų | 81 | 109.6 Ų | 109.6 | 43% | 0.433 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -71.2 | -40.1 | 178.9 | -75.1 | -20.8 | 0 | 0 | 0 | 111.6 | H192 Q193 L197 K198 D199 | H192-D195 HydrophobicContact CB-CB 3.88Å; H192-D195 WeakPolarHBondContact CB-OD2 3.46Å; H192-D195 IonicContact CD2-OD1 3.81Å; H192-D195 PolarHBondContact CD2-OD1 3.43Å; H192-D195 IonicContact CD2-OD2 2.88Å; H192-D195 IonicContact CG-OD1 3.16Å; H192-D195 IonicContact CG-OD2 3.28Å; H192-D195 PolarHBondContact O-N 2.96Å; Q193-D195 VanDerWaalsContact C-N 3.32Å; D195-L197 VanDerWaalsContact C-N 3.26Å; D195-L197 PolarHBondContact O-N 3.43Å; D195-K198 PolarHBondContact O-N 2.91Å; D195-D199 WeakPolarHBondContact O-CB 3.46Å; D195-D199 PolarHBondContact O-N 3.37Å |
| 196 | G | 72.8 | Confident | 67.2 | Low | 48 Ų | 48 | 110 Ų | 110 | 50% | 0.495 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.9 | -31.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L200 | G196-L200 WeakPolarHBondContact O-CB 3.49Å; G196-L200 PolarHBondContact O-N 2.92Å; G196-L200 VanDerWaalsContact O-N 3.08Å |
| 197 | L | 69.9 | Low | 69.7 | Low | 97 Ų | 97 | 108.3 Ų | 108.3 | 51% | 0.508 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -76.5 | -37.5 | 176.9 | -147.7 | 82.5 | 0 | 0 | 0 | 111.8 | D194 D195 K201 | D194-L197 PolarHBondContact O-N 3.39Å; D195-L197 VanDerWaalsContact C-N 3.26Å; D195-L197 PolarHBondContact O-N 3.43Å; L197-K201 WeakPolarHBondContact O-CB 3.49Å; L197-K201 WeakPolarHBondContact O-CG 3.43Å; L197-K201 PolarHBondContact O-N 3.39Å |
| 198 | K | 73.3 | Confident | 72.6 | Confident | 102 Ų | 102 | 109.9 Ų | 109.9 | 44% | 0.443 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65 | -43.1 | 172.4 | -76.6 | 165.1 | 168.3 | 155.1 | 0 | 111.3 | D194 D195 L200 K201 Q202 | D194-K198 WeakPolarHBondContact O-CB 3.47Å; D194-K198 WeakPolarHBondContact O-CD 3.41Å; D194-K198 VanDerWaalsContact O-CG 3.26Å; D194-K198 WeakPolarHBondContact O-CG 3.4Å; D194-K198 PolarHBondContact O-N 2.9Å; D194-K198 WeakPolarHBondContact OD1-CE 3.47Å; D194-K198 IonicContact OD1-NZ 3.56Å; D194-K198 PolarHBondContact OD1-NZ 3.5Å; D195-K198 PolarHBondContact O-N 2.91Å; K198-L200 PolarHBondContact O-N 3.47Å; K198-K201 PolarHBondContact O-N 3.01Å; K198-Q202 WeakPolarHBondContact O-CB 3.42Å; K198-Q202 PolarHBondContact O-N 2.94Å |
| 199 | D | 76.3 | Confident | 74.8 | Confident | 99 Ų | 99 | 105.7 Ų | 105.7 | 53% | 0.529 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.3 | -37.9 | 176.5 | -80.6 | -10.1 | 0 | 0 | 0 | 112.2 | D195 G203 | D195-D199 WeakPolarHBondContact O-CB 3.46Å; D195-D199 PolarHBondContact O-N 3.37Å; D199-G203 WeakPolarHBondContact O-CA 3.36Å; D199-G203 PolarHBondContact O-N 3.16Å |
| 200 | L | 81.6 | Confident | 77.4 | Confident | 122 Ų | 122 | 107.7 Ų | 107.7 | 64% | 0.639 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.5 | -43.2 | 175.8 | -174.1 | 62.3 | 0 | 0 | 0 | 111.8 | G196 K198 G203 H204 | G196-L200 WeakPolarHBondContact O-CB 3.49Å; G196-L200 PolarHBondContact O-N 2.92Å; G196-L200 VanDerWaalsContact O-N 3.08Å; K198-L200 PolarHBondContact O-N 3.47Å; L200-G203 PolarHBondContact O-N 3.45Å; L200-H204 PolarHBondContact O-N 3.29Å |
| 201 | K | 83.6 | Confident | 79.3 | Confident | 144 Ų | 144 | 105.5 Ų | 105.5 | 63% | 0.626 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.7 | -41.9 | 174 | -75.7 | -179.8 | 177.5 | -175.8 | 0 | 111.2 | L197 K198 G203 H204 V205 | L197-K201 WeakPolarHBondContact O-CB 3.49Å; L197-K201 WeakPolarHBondContact O-CG 3.43Å; L197-K201 PolarHBondContact O-N 3.39Å; K198-K201 PolarHBondContact O-N 3.01Å; K201-G203 VanDerWaalsContact C-N 3.35Å; K201-H204 PolarHBondContact O-N 2.93Å; K201-V205 WeakPolarHBondContact O-CG2 3.49Å; K201-V205 PolarHBondContact O-N 3.33Å |
| 202 | Q | 81.4 | Confident | 81.2 | Confident | 98 Ų | 98 | 103.2 Ų | 103.2 | 46% | 0.458 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.6 | -34.4 | 176.3 | -166.2 | 169.1 | 37.5 | 0 | 0 | 111.8 | K198 V205 R206 | K198-Q202 WeakPolarHBondContact O-CB 3.42Å; K198-Q202 PolarHBondContact O-N 2.94Å; Q202-V205 PolarHBondContact O-N 3.37Å; Q202-R206 VanDerWaalsContact O-CB 3.31Å; Q202-R206 WeakPolarHBondContact O-CB 3.31Å; Q202-R206 WeakPolarHBondContact O-CG 3.42Å; Q202-R206 PolarHBondContact O-N 3.48Å |
| 203 | G | 90.1 | Very high | 82.9 | Confident | 30 Ų | 30 | 103.6 Ų | 103.6 | 31% | 0.309 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D199 L200 K201 R206 S207 | D199-G203 WeakPolarHBondContact O-CA 3.36Å; D199-G203 PolarHBondContact O-N 3.16Å; L200-G203 PolarHBondContact O-N 3.45Å; K201-G203 VanDerWaalsContact C-N 3.35Å; G203-R206 PolarHBondContact O-N 3.4Å; G203-S207 VanDerWaalsContact O-CB 3.23Å; G203-S207 WeakPolarHBondContact O-CB 3.45Å; G203-S207 PolarHBondContact O-N 3.18Å |
| 204 | H | 90.8 | Very high | 84.5 | Confident | 142 Ų | 142 | 99.6 Ų | 99.6 | 66% | 0.657 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.6 | -43.2 | 174.7 | -131 | 70.8 | 0 | 0 | 0 | 112 | L200 K201 S207 L208 | L200-H204 PolarHBondContact O-N 3.29Å; K201-H204 PolarHBondContact O-N 2.93Å; H204-S207 PolarHBondContact O-N 2.89Å; H204-L208 WeakPolarHBondContact O-CB 3.49Å; H204-L208 PolarHBondContact O-N 3.43Å |
| 205 | V | 91.4 | Very high | 85.9 | Confident | 100 Ų | 100 | 100.3 Ų | 100.3 | 61% | 0.606 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.6 | -44 | 175 | 173.1 | 0 | 0 | 0 | 0 | 111 | K201 Q202 L208 S209 | K201-V205 WeakPolarHBondContact O-CG2 3.49Å; K201-V205 PolarHBondContact O-N 3.33Å; Q202-V205 PolarHBondContact O-N 3.37Å; V205-L208 PolarHBondContact O-N 3.36Å; V205-S209 WeakPolarHBondContact O-CB 3.37Å; V205-S209 PolarHBondContact O-N 3.01Å |
| 206 | R | 88.8 | Confident | 86.8 | Confident | 143 Ų | 143 | 99.5 Ų | 99.5 | 54% | 0.54 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.3 | -46.3 | 175.7 | -80.7 | -166.1 | -88.5 | -131.1 | -1.9 | 112.4 | Q202 G203 L208 S209 E210 | Q202-R206 VanDerWaalsContact O-CB 3.31Å; Q202-R206 WeakPolarHBondContact O-CB 3.31Å; Q202-R206 WeakPolarHBondContact O-CG 3.42Å; Q202-R206 PolarHBondContact O-N 3.48Å; G203-R206 PolarHBondContact O-N 3.4Å; R206-L208 VanDerWaalsContact C-N 3.35Å; R206-L208 PolarHBondContact O-N 2.97Å; R206-S209 PolarHBondContact O-N 3.36Å; R206-S209 PolarHBondContact O-OG 2.95Å; R206-S209 VanDerWaalsContact O-OG 3.07Å; R206-E210 WeakPolarHBondContact O-CB 3.42Å; R206-E210 PolarHBondContact O-N 3.49Å |
| 207 | S | 94.1 | Very high | 87.2 | Confident | 66 Ų | 66 | 103.3 Ų | 103.3 | 46% | 0.462 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.8 | -37.1 | 178.5 | -177.1 | 0 | 0 | 0 | 0 | 112.1 | G203 H204 E210 R211 | G203-S207 VanDerWaalsContact O-CB 3.23Å; G203-S207 WeakPolarHBondContact O-CB 3.45Å; G203-S207 PolarHBondContact O-N 3.18Å; H204-S207 PolarHBondContact O-N 2.89Å; S207-E210 PolarHBondContact O-N 3.4Å; S207-R211 WeakPolarHBondContact O-CB 3.44Å; S207-R211 PolarHBondContact O-N 3.43Å |
| 208 | L | 93.9 | Very high | 87.3 | Confident | 96 Ų | 96 | 102.6 Ų | 102.6 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.1 | -44.1 | 174.5 | -178.4 | 63.6 | 0 | 0 | 0 | 111.3 | H204 V205 R206 E210 R211 L212 | H204-L208 WeakPolarHBondContact O-CB 3.49Å; H204-L208 PolarHBondContact O-N 3.43Å; V205-L208 PolarHBondContact O-N 3.36Å; R206-L208 VanDerWaalsContact C-N 3.35Å; R206-L208 PolarHBondContact O-N 2.97Å; L208-E210 VanDerWaalsContact C-N 3.29Å; L208-E210 PolarHBondContact O-N 2.96Å; L208-R211 PolarHBondContact O-N 3.07Å; L208-L212 HydrophobicContact CD1-CD1 4.28Å; L208-L212 HydrophobicContact CD1-CG 4.38Å; L208-L212 HydrophobicContact CG-CD1 4.03Å; L208-L212 WeakPolarHBondContact O-CB 3.37Å; L208-L212 WeakPolarHBondContact O-CG 3.27Å; L208-L212 PolarHBondContact O-N 2.88Å |
| 209 | S | 92.4 | Very high | 87.1 | Confident | 68 Ų | 68 | 103.1 Ų | 103.1 | 48% | 0.476 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.5 | -38.6 | 176.4 | 83.3 | 0 | 0 | 0 | 0 | 111 | V205 R206 L212 M213 | V205-S209 WeakPolarHBondContact O-CB 3.37Å; V205-S209 PolarHBondContact O-N 3.01Å; R206-S209 PolarHBondContact O-N 3.36Å; R206-S209 PolarHBondContact O-OG 2.95Å; R206-S209 VanDerWaalsContact O-OG 3.07Å; S209-L212 PolarHBondContact O-N 3.42Å; S209-M213 VanDerWaalsContact O-CB 3.23Å; S209-M213 WeakPolarHBondContact O-CB 3.36Å; S209-M213 PolarHBondContact O-N 3.15Å |
| 210 | E | 93.9 | Very high | 86.2 | Confident | 100 Ų | 100 | 102.8 Ų | 102.8 | 47% | 0.467 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.3 | -47.4 | 175.3 | -168.1 | -171.1 | 168.5 | 0 | 0 | 111.6 | R206 S207 L208 L212 M213 Q214 | R206-E210 WeakPolarHBondContact O-CB 3.42Å; R206-E210 PolarHBondContact O-N 3.49Å; S207-E210 PolarHBondContact O-N 3.4Å; L208-E210 VanDerWaalsContact C-N 3.29Å; L208-E210 PolarHBondContact O-N 2.96Å; E210-L212 PolarHBondContact O-N 3.3Å; E210-M213 PolarHBondContact O-N 3.37Å; E210-Q214 WeakPolarHBondContact O-CB 3.29Å; E210-Q214 VanDerWaalsContact O-CG 3.26Å; E210-Q214 WeakPolarHBondContact O-CG 3.4Å; E210-Q214 PolarHBondContact O-N 3.29Å; E210-Q214 PolarHBondContact OE1-NE2 3.33Å |
| 211 | R | 92.9 | Very high | 84.8 | Confident | 164 Ų | 164 | 100 Ų | 100 | 62% | 0.619 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62.5 | -41.9 | 176.2 | 178.6 | -177.9 | -71.7 | -98.6 | -1 | 112.1 | S207 L208 Q214 L215 | S207-R211 WeakPolarHBondContact O-CB 3.44Å; S207-R211 PolarHBondContact O-N 3.43Å; L208-R211 PolarHBondContact O-N 3.07Å; R211-Q214 PolarHBondContact O-N 3.3Å; R211-L215 HydrophobicContact CG-CD1 4.07Å; R211-L215 WeakPolarHBondContact O-CB 3.27Å; R211-L215 WeakPolarHBondContact O-CG 3.48Å; R211-L215 PolarHBondContact O-N 3.49Å |
| 212 | L | 92.4 | Very high | 83.2 | Confident | 93 Ų | 93 | 100 Ų | 100 | 49% | 0.487 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65.2 | -43 | 176.4 | -76.4 | 170.3 | 0 | 0 | 0 | 110.8 | L208 S209 E210 Q214 L215 S216 | L208-L212 HydrophobicContact CD1-CD1 4.28Å; L208-L212 HydrophobicContact CD1-CG 4.38Å; L208-L212 HydrophobicContact CG-CD1 4.03Å; L208-L212 WeakPolarHBondContact O-CB 3.37Å; L208-L212 WeakPolarHBondContact O-CG 3.27Å; L208-L212 PolarHBondContact O-N 2.88Å; S209-L212 PolarHBondContact O-N 3.42Å; E210-L212 PolarHBondContact O-N 3.3Å; L212-Q214 VanDerWaalsContact C-N 3.35Å; L212-Q214 PolarHBondContact O-N 3.06Å; L212-L215 PolarHBondContact O-N 3.49Å; L212-S216 WeakPolarHBondContact O-CB 3.49Å; L212-S216 PolarHBondContact O-N 2.87Å; L212-S216 PolarHBondContact O-OG 3.46Å |
| 213 | M | 92.1 | Very high | 81.9 | Confident | 112 Ų | 112 | 104.8 Ų | 104.8 | 55% | 0.552 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -60.2 | -43.6 | 173.3 | -177.6 | 175.5 | 69.4 | 0 | 0 | 111.4 | S209 E210 S216 L217 | S209-M213 VanDerWaalsContact O-CB 3.23Å; S209-M213 WeakPolarHBondContact O-CB 3.36Å; S209-M213 PolarHBondContact O-N 3.15Å; E210-M213 PolarHBondContact O-N 3.37Å; M213-S216 PolarHBondContact O-N 2.86Å; M213-L217 HydrophobicContact CG-CD1 4.2Å; M213-L217 WeakPolarHBondContact O-CB 3.33Å; M213-L217 VanDerWaalsContact O-CG 3.26Å; M213-L217 WeakPolarHBondContact O-CG 3.46Å; M213-L217 PolarHBondContact O-N 3.05Å |
| 214 | Q | 92.9 | Very high | 79.5 | Confident | 105 Ų | 105 | 107.9 Ų | 107.9 | 49% | 0.491 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -61.8 | -43.5 | 174.8 | -72.1 | 172.7 | 21.9 | 0 | 0 | 112 | E210 R211 L212 L217 A218 | E210-Q214 WeakPolarHBondContact O-CB 3.29Å; E210-Q214 VanDerWaalsContact O-CG 3.26Å; E210-Q214 WeakPolarHBondContact O-CG 3.4Å; E210-Q214 PolarHBondContact O-N 3.29Å; E210-Q214 PolarHBondContact OE1-NE2 3.33Å; R211-Q214 PolarHBondContact O-N 3.3Å; L212-Q214 VanDerWaalsContact C-N 3.35Å; L212-Q214 PolarHBondContact O-N 3.06Å; Q214-L217 PolarHBondContact O-N 3.24Å; Q214-A218 VanDerWaalsContact O-CB 3.26Å; Q214-A218 WeakPolarHBondContact O-CB 3.44Å; Q214-A218 PolarHBondContact O-N 3.15Å |
| 215 | L | 89.8 | Confident | 76.8 | Confident | 96 Ų | 96 | 109.7 Ų | 109.7 | 50% | 0.503 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.4 | -40 | 175 | -79.4 | 163.1 | 0 | 0 | 0 | 111.9 | R211 L212 A218 T219 | R211-L215 HydrophobicContact CG-CD1 4.07Å; R211-L215 WeakPolarHBondContact O-CB 3.27Å; R211-L215 WeakPolarHBondContact O-CG 3.48Å; R211-L215 PolarHBondContact O-N 3.49Å; L212-L215 PolarHBondContact O-N 3.49Å; L215-A218 PolarHBondContact O-N 2.95Å; L215-T219 WeakPolarHBondContact O-CB 3.4Å; L215-T219 WeakPolarHBondContact O-CG2 3.41Å; L215-T219 PolarHBondContact O-N 2.66Å; L215-T219 PolarHBondContact O-OG1 3.43Å |
| 216 | S | 87.6 | Confident | 74.1 | Confident | 64 Ų | 64 | 109 Ų | 109 | 45% | 0.448 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -65.1 | -41.7 | 175.5 | -67.9 | 0 | 0 | 0 | 0 | 111 | L212 M213 T219 S220 | L212-S216 WeakPolarHBondContact O-CB 3.49Å; L212-S216 PolarHBondContact O-N 2.87Å; L212-S216 PolarHBondContact O-OG 3.46Å; M213-S216 PolarHBondContact O-N 2.86Å; S216-T219 PolarHBondContact O-N 3Å; S216-T219 PolarHBondContact O-OG1 3.18Å; S216-S220 WeakPolarHBondContact O-CA 3.42Å; S216-S220 WeakPolarHBondContact O-CB 3.47Å; S216-S220 PolarHBondContact O-N 2.99Å; S216-S220 PolarHBondContact O-OG 2.92Å |
| 217 | L | 81.8 | Confident | 71.9 | Confident | 128 Ų | 128 | 108.5 Ų | 108.5 | 67% | 0.67 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.9 | -35.3 | 173.7 | -68.7 | 171.9 | 0 | 0 | 0 | 112.3 | M213 Q214 T219 | M213-L217 HydrophobicContact CG-CD1 4.2Å; M213-L217 WeakPolarHBondContact O-CB 3.33Å; M213-L217 VanDerWaalsContact O-CG 3.26Å; M213-L217 WeakPolarHBondContact O-CG 3.46Å; M213-L217 PolarHBondContact O-N 3.05Å; Q214-L217 PolarHBondContact O-N 3.24Å; L217-T219 VanDerWaalsContact C-N 3.32Å; L217-T219 PolarHBondContact O-N 3.47Å |
| 218 | A | 71.4 | Confident | 69.2 | Low | 83 Ų | 83 | 113.6 Ų | 113.6 | 69% | 0.686 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -72.9 | -21.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q214 L215 | Q214-A218 VanDerWaalsContact O-CB 3.26Å; Q214-A218 WeakPolarHBondContact O-CB 3.44Å; Q214-A218 PolarHBondContact O-N 3.15Å; L215-A218 PolarHBondContact O-N 2.95Å |
| 219 | T | 68.9 | Low | 66.2 | Low | 112 Ų | 112 | 114.5 Ų | 114.5 | 69% | 0.687 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -108.7 | -20.5 | 179.9 | 55.5 | 0 | 0 | 0 | 0 | 113.1 | L215 S216 L217 G221 | L215-T219 WeakPolarHBondContact O-CB 3.4Å; L215-T219 WeakPolarHBondContact O-CG2 3.41Å; L215-T219 PolarHBondContact O-N 2.66Å; L215-T219 PolarHBondContact O-OG1 3.43Å; S216-T219 PolarHBondContact O-N 3Å; S216-T219 PolarHBondContact O-OG1 3.18Å; L217-T219 VanDerWaalsContact C-N 3.32Å; L217-T219 PolarHBondContact O-N 3.47Å; T219-G221 PolarHBondContact O-N 3.35Å |
| 220 | S | 58.6 | Low | 63.3 | Low | 92 Ų | 92 | 116.1 Ų | 116.1 | 64% | 0.643 | 68% | 0.678 | S | S | * | * | trans | -85.3 | 64.4 | 171.3 | -52.7 | 0 | 0 | 0 | 0 | 109.7 | S216 | S216-S220 WeakPolarHBondContact O-CA 3.42Å; S216-S220 WeakPolarHBondContact O-CB 3.47Å; S216-S220 PolarHBondContact O-N 2.99Å; S216-S220 PolarHBondContact O-OG 2.92Å | ||
| 221 | G | 52.8 | Low | 60.4 | Low | 64 Ų | 64 | 117.7 Ų | 117.7 | 66% | 0.66 | 69% | 0.694 | S | S | * | * | trans | -111.7 | 86.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | T219 K223 | T219-G221 PolarHBondContact O-N 3.35Å; G221-K223 PolarHBondContact O-N 2.94Å | ||
| 222 | V | 48.6 | Very low | 58.3 | Low | 143 Ų | 143 | 114.9 Ų | 114.9 | 87% | 0.867 | 70% | 0.697 | S | S | * | * | trans | -62.8 | 114.7 | 152.2 | 165.1 | 0 | 0 | 0 | 0 | 106.6 | A224 | V222-A224 PolarHBondContact O-N 2.7Š| ||
| 223 | K | 55.2 | Low | 55.4 | Low | 199 Ų | 199 | 118 Ų | 118 | 87% | 0.865 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 8 | 91 | 166.1 | -164.9 | 170.7 | -175.5 | 177.4 | 0 | 115.5 | G221 | G221-K223 PolarHBondContact O-N 2.94Š|
| 224 | A | 38.4 | Very low | 52.7 | Low | 95 Ų | 95 | 117.9 Ų | 117.9 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | trans | -127.7 | 130.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | V222 | V222-A224 PolarHBondContact O-N 2.7Š| ||
| 225 | H | 34.3 | Very low | 50.4 | Low | 181 Ų | 181 | 118.3 Ų | 118.3 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 145.3 | -177.1 | -88.7 | -106.5 | 0 | 0 | 0 | 114.2 | ||
| 226 | A | 36 | Very low | 47.6 | Very low | 84 Ų | 84 | 123.1 Ų | 123.1 | 69% | 0.694 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 137.2 | 164 | 0 | 0 | 0 | 0 | 0 | 110.7 | I228 | A226-I228 PolarHBondContact O-N 3.43Š|
| 227 | P | 42.2 | Very low | 45 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 124 | 172.7 | 27.2 | -29.2 | 0 | 0 | 0 | 110.9 | ||
| 228 | I | 37 | Very low | 43.6 | Very low | 173 Ų | 173 | 127 Ų | 127 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 134.5 | 172.7 | 42.1 | 163.7 | 0 | 0 | 0 | 111.5 | A226 | A226-I228 PolarHBondContact O-N 3.43Š|
| 229 | S | 30.3 | Very low | 42.5 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | trans | -168.4 | 120.8 | 152.3 | -172.3 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 230 | S | 31.5 | Very low | 40.6 | Very low | 102 Ų | 102 | 128 Ų | 128 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | cis | -160.1 | 130.7 | 5.2 | 46.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 231 | T | 34.5 | Very low | 38.9 | Very low | 132 Ų | 132 | 128.9 Ų | 128.9 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -0.7 | 169.8 | 151.3 | 37.2 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 232 | P | 48.1 | Very low | 38 | Very low | 105 Ų | 105 | 134.5 Ų | 134.5 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | cis | -142.2 | 166.4 | -25.7 | 34.8 | -15.1 | 0 | 0 | 0 | 115.7 | ||||
| 233 | L | 31 | Very low | 37.6 | Very low | 158 Ų | 158 | 133 Ų | 133 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | 171.4 | 112.7 | 121.8 | -89.8 | 159.2 | 0 | 0 | 0 | 114.3 | |||||
| 234 | S | 35.8 | Very low | 36.6 | Very low | 111 Ų | 111 | 126.6 Ų | 126.6 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | 75.8 | 149.6 | 142.4 | -76.4 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 235 | P | 44.3 | Very low | 36.2 | Very low | 113 Ų | 113 | 130.2 Ų | 130.2 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | trans | -125.9 | 162.5 | -140.3 | 40.2 | -24.5 | 0 | 0 | 0 | 115.4 | ||||
| 236 | Q | 31.7 | Very low | 36.3 | Very low | 198 Ų | 198 | 131.4 Ų | 131.4 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | trans | -160 | 132.4 | 141.5 | -113.4 | 178.5 | 7.9 | 0 | 0 | 112.5 | ||||
| 237 | L | 32.9 | Very low | 36.4 | Very low | 163 Ų | 163 | 137.2 Ų | 137.2 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -94.1 | -171.7 | 173.5 | -74.6 | 161.1 | 0 | 0 | 0 | 110 | ||||
| 238 | P | 52.6 | Low | 35.9 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 71% | 0.714 | 79% | 0.79 | S | S | * | * | -113.1 | -160 | -112.2 | 30.6 | -3.6 | 0 | 0 | 0 | 111.1 | |||||
| 239 | P | 47.5 | Very low | 36.1 | Very low | 116 Ų | 116 | 138.4 Ų | 138.4 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | -152.3 | 143.3 | 90.2 | 37.3 | -17.2 | 0 | 0 | 0 | 117.5 | |||||
| 240 | S | 28.3 | Very low | 36.5 | Very low | 99 Ų | 99 | 141.4 Ų | 141.4 | 69% | 0.692 | 79% | 0.788 | S | S | * | * | trans | 41.8 | 138.5 | 134.1 | 69.6 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 241 | C | 24.6 | Very low | 37.2 | Very low | 112 Ų | 112 | 145.1 Ų | 145.1 | 76% | 0.757 | 79% | 0.794 | S | S | * | * | trans | 92.2 | 105.2 | 148 | -67.2 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 242 | Q | 33.1 | Very low | 37.7 | Very low | 181 Ų | 181 | 151.1 Ų | 151.1 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | 115.2 | 161.4 | 75 | -85 | -93.1 | -22.5 | 0 | 0 | 108.8 | |||||
| 243 | P | 40.7 | Very low | 37.7 | Very low | 113 Ų | 113 | 149.2 Ų | 149.2 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | -104.5 | 162.3 | -128.6 | 39.5 | -38 | 0 | 0 | 0 | 115.3 | |||||
| 244 | G | 33.2 | Very low | 39.2 | Very low | 63 Ų | 63 | 147.6 Ų | 147.6 | 65% | 0.649 | 80% | 0.799 | S | S | * | * | trans | 100.7 | 105.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 245 | D | 31.4 | Very low | 39.9 | Very low | 171 Ų | 171 | 147.7 Ų | 147.7 | 91% | 0.914 | 80% | 0.797 | S | S | * | * | 176 | 117 | 119.2 | -86.3 | -28.1 | 0 | 0 | 0 | 110 | |||||
| 246 | Y | 35.8 | Very low | 40.7 | Very low | 207 Ų | 207 | 147.1 Ų | 147.1 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | -79.5 | 142.3 | 179.4 | -117.7 | -99 | 0 | 0 | 0 | 109.4 | ||||
| 247 | Y | 38 | Very low | 41.6 | Very low | 206 Ų | 206 | 145.8 Ų | 145.8 | 81% | 0.808 | 79% | 0.793 | S | S | * | * | trans | 82.2 | 92.5 | 170.2 | -65.6 | -79.1 | 0 | 0 | 0 | 119.4 | ||||
| 248 | K | 31.5 | Very low | 42.1 | Very low | 206 Ų | 206 | 147.2 Ų | 147.2 | 90% | 0.896 | 79% | 0.788 | S | S | * | * | trans | -157.9 | 114.6 | 144.3 | -127.8 | -179.7 | -175.3 | 177.1 | 0 | 111.7 | ||||
| 249 | P | 42 | Very low | 41.9 | Very low | 125 Ų | 125 | 147.8 Ų | 147.8 | 81% | 0.812 | 79% | 0.792 | S | S | * | * | trans | -84 | 126.3 | 162.8 | -12.6 | 29.4 | 0 | 0 | 0 | 110.7 | ||||
| 250 | Q | 37.1 | Very low | 41.4 | Very low | 179 Ų | 179 | 151.7 Ų | 151.7 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | trans | -73.4 | 132.6 | 171.2 | -86.1 | -157.9 | -29 | 0 | 0 | 112.4 | ||||
| 251 | H | 48 | Very low | 42.2 | Very low | 180 Ų | 180 | 156.3 Ų | 156.3 | 83% | 0.833 | 81% | 0.805 | S | S | * | * | trans | 23.4 | 114.8 | 144.8 | -60.1 | -81.8 | 0 | 0 | 0 | 119.8 | ||||
| 252 | R | 43.4 | Very low | 43.1 | Very low | 258 Ų | 258 | 154.5 Ų | 154.5 | 97% | 0.974 | 81% | 0.806 | S | S | * | * | trans | -125 | 135.1 | 145.6 | -139.2 | 177.2 | -168.5 | 175.2 | 3.3 | 108.4 | ||||
| 253 | G | 48.2 | Very low | 43.3 | Very low | 64 Ų | 64 | 154 Ų | 154 | 66% | 0.66 | 81% | 0.807 | S | S | * | * | trans | -66.3 | -177.9 | -161.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 254 | P | 62.3 | Low | 42.8 | Very low | 124 Ų | 124 | 154.6 Ų | 154.6 | 81% | 0.805 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 146.7 | -173.4 | 26.7 | -33.1 | 0 | 0 | 0 | 111.4 | ||
| 255 | P | 51 | Low | 42.7 | Very low | 113 Ų | 113 | 156.7 Ų | 156.7 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -65 | 148.5 | -179.5 | 26.8 | -32.4 | 0 | 0 | 0 | 111.2 | ||
| 256 | P | 61.2 | Low | 43 | Very low | 101 Ų | 101 | 155 Ų | 155 | 66% | 0.656 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 132.8 | -178.3 | 24.6 | -31.9 | 0 | 0 | 0 | 112.3 | Y258 | P256-Y258 HydrophobicContact CG-CE2 4.35Å; P256-Y258 PolarHBondContact O-N 3.3Å |
| 257 | D | 50.3 | Low | 42.7 | Very low | 170 Ų | 170 | 148.3 Ų | 148.3 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 118.6 | 174.6 | -78.1 | -49.1 | 0 | 0 | 0 | 111.2 | ||
| 258 | Y | 44.8 | Very low | 42.3 | Very low | 194 Ų | 194 | 144.4 Ų | 144.4 | 76% | 0.761 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 132.9 | 170.1 | -83.6 | -85.1 | 0 | 0 | 0 | 110.6 | P256 F260 | P256-Y258 HydrophobicContact CG-CE2 4.35Å; P256-Y258 PolarHBondContact O-N 3.3Å; Y258-F260 PolarHBondContact O-N 2.91Å; Y258-F260 VanDerWaalsContact O-N 3.08Å |
| 259 | P | 46.5 | Very low | 42.1 | Very low | 122 Ų | 122 | 142.8 Ų | 142.8 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | trans | -80.8 | 93.2 | -179 | 31.6 | -31.2 | 0 | 0 | 0 | 110.3 | ||||
| 260 | F | 37.7 | Very low | 41.8 | Very low | 198 Ų | 198 | 142.2 Ų | 142.2 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | trans | -83.6 | 113.2 | 166.6 | -115.4 | -89 | 0 | 0 | 0 | 109.8 | Y258 G262 | Y258-F260 PolarHBondContact O-N 2.91Å; Y258-F260 VanDerWaalsContact O-N 3.08Å; F260-G262 PolarHBondContact O-N 3.46Å | ||
| 261 | K | 45.7 | Very low | 41.4 | Very low | 195 Ų | 195 | 142.6 Ų | 142.6 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | trans | -67.6 | 123 | 167.5 | -67.1 | -176.6 | 178.1 | -169.7 | 0 | 108.1 | ||||
| 262 | G | 42.6 | Very low | 40.6 | Very low | 75 Ų | 75 | 139.9 Ų | 139.9 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | trans | -67.6 | 141.4 | -175 | 0 | 0 | 0 | 0 | 0 | 113.8 | F260 | F260-G262 PolarHBondContact O-N 3.46Š| ||
| 263 | I | 37.8 | Very low | 40 | Very low | 171 Ų | 171 | 131.5 Ų | 131.5 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -135.4 | 90.6 | 150.4 | -32 | 170 | 0 | 0 | 0 | 105 | ||||
| 264 | C | 31.4 | Very low | 39.2 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 125 | 166.9 | -149.3 | 0 | 0 | 0 | 0 | 106.6 | ||
| 265 | S | 30.1 | Very low | 38.1 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 139.2 | 168.4 | -64.3 | 0 | 0 | 0 | 0 | 109.9 | G267 | S265-G267 PolarHBondContact O-N 2.9Š|
| 266 | P | 37.3 | Very low | 37.1 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 122.1 | 179.3 | 31.8 | -29.8 | 0 | 0 | 0 | 109.4 | ||
| 267 | G | 29.9 | Very low | 35.7 | Very low | 65 Ų | 65 | 141 Ų | 141 | 67% | 0.67 | 81% | 0.81 | S | S | * | * | trans | -146.9 | 110.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | S265 | S265-G267 PolarHBondContact O-N 2.9Š| ||
| 268 | S | 29.1 | Very low | 34.7 | Very low | 124 Ų | 124 | 140.6 Ų | 140.6 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | 58.9 | 100.4 | 160.3 | 60.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 269 | H | 28.1 | Very low | 33.8 | Very low | 173 Ų | 173 | 137.1 Ų | 137.1 | 80% | 0.801 | 79% | 0.793 | S | S | * | * | trans | -116.9 | 133.2 | 140.8 | -139.2 | -81.3 | 0 | 0 | 0 | 108.1 | ||||
| 270 | P | 34.6 | Very low | 33.6 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -81.8 | 134.4 | 166.4 | 32.9 | -27.6 | 0 | 0 | 0 | 107.8 | ||||
| 271 | E | 28.8 | Very low | 33.4 | Very low | 188 Ų | 188 | 136.7 Ų | 136.7 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -134.2 | 137.5 | 159.9 | -86.4 | -144.9 | 128.8 | 0 | 0 | 111.9 | ||||
| 272 | S | 32.3 | Very low | 32.5 | Very low | 122 Ų | 122 | 132.9 Ų | 132.9 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -75 | 143.9 | -176.1 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 273 | G | 31.2 | Very low | 31.8 | Very low | 83 Ų | 83 | 139.1 Ų | 139.1 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | 67.3 | 113 | 128.6 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 274 | G | 31.2 | Very low | 31.4 | Very low | 76 Ų | 76 | 137.8 Ų | 137.8 | 78% | 0.784 | 77% | 0.774 | S | S | * | * | trans | 170.1 | 94 | 160 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 275 | H | 39 | Very low | 31.5 | Very low | 180 Ų | 180 | 140.5 Ų | 140.5 | 83% | 0.833 | 77% | 0.774 | S | S | * | * | trans | -55.9 | 154.6 | 174.6 | -68.2 | -95.8 | 0 | 0 | 0 | 114.2 | ||||
| 276 | F | 30.3 | Very low | 31.4 | Very low | 170 Ų | 170 | 140.2 Ų | 140.2 | 75% | 0.746 | 77% | 0.772 | S | S | * | * | -175.6 | 122.3 | 110.4 | -113.4 | -115.8 | 0 | 0 | 0 | 113.2 | |||||
| 277 | Y | 31.3 | Very low | 31.2 | Very low | 175 Ų | 175 | 144.3 Ų | 144.3 | 69% | 0.686 | 77% | 0.769 | S | S | * | * | trans | 66 | 140.7 | 145.9 | -81.1 | -117.1 | 0 | 0 | 0 | 120.1 | ||||
| 278 | Q | 29.5 | Very low | 31.2 | Very low | 161 Ų | 161 | 149.6 Ų | 149.6 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | cis | -167.3 | 135 | -8.9 | -163.6 | 170.7 | 31.1 | 0 | 0 | 106.1 | ||||
| 279 | E | 26.6 | Very low | 31.7 | Very low | 121 Ų | 121 | 150 Ų | 150 | 57% | 0.565 | 77% | 0.774 | S | S | * | * | trans | -74.2 | 158.6 | 176.2 | 178.8 | 159.7 | -160.9 | 0 | 0 | 111.6 | R281 | E279-R281 VanDerWaalsContact CD-NE 3.26Å; E279-R281 HydrophobicContact CG-CG 4.17Å; E279-R281 VanDerWaalsContact OE1-CD 3.25Å; E279-R281 WeakPolarHBondContact OE1-CD 3.4Å; E279-R281 IonicContact OE1-NE 3.86Å; E279-R281 PolarHBondContact OE1-NE 3.28Å; E279-R281 IonicContact OE2-CZ 3.88Å; E279-R281 IonicContact OE2-NE 3.94Å; E279-R281 PolarHBondContact OE2-NE 3.47Å; E279-R281 IonicContact OE2-NH2 2.89Å | ||
| 280 | P | 41.5 | Very low | 32.5 | Very low | 126 Ų | 126 | 147.3 Ų | 147.3 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | -127.4 | 133.9 | 118.2 | 9.4 | 10.6 | 0 | 0 | 0 | 113.6 | |||||
| 281 | R | 32.4 | Very low | 33.1 | Very low | 186 Ų | 186 | 148.1 Ų | 148.1 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | trans | -49.3 | 162.1 | 170.7 | -59.1 | -82.5 | 169.4 | 95.8 | -3.3 | 109.7 | E279 | E279-R281 VanDerWaalsContact CD-NE 3.26Å; E279-R281 HydrophobicContact CG-CG 4.17Å; E279-R281 VanDerWaalsContact OE1-CD 3.25Å; E279-R281 WeakPolarHBondContact OE1-CD 3.4Å; E279-R281 IonicContact OE1-NE 3.86Å; E279-R281 PolarHBondContact OE1-NE 3.28Å; E279-R281 IonicContact OE2-CZ 3.88Å; E279-R281 IonicContact OE2-NE 3.94Å; E279-R281 PolarHBondContact OE2-NE 3.47Å; E279-R281 IonicContact OE2-NH2 2.89Å | ||
| 282 | V | 28.7 | Very low | 33.9 | Very low | 114 Ų | 114 | 145.8 Ų | 145.8 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | -176.9 | 120.8 | 78.2 | 167.1 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 283 | R | 27.7 | Very low | 34.3 | Very low | 206 Ų | 206 | 151 Ų | 151 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | trans | 78.2 | 96.8 | 135.3 | -161.3 | 178 | -63.1 | -171.2 | 0.6 | 120.9 | ||||
| 284 | N | 29.3 | Very low | 34.8 | Very low | 143 Ų | 143 | 156.4 Ų | 156.4 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | 26.2 | 127.9 | 120.1 | -63.5 | -41.2 | 0 | 0 | 0 | 119.1 | |||||
| 285 | H | 32.8 | Very low | 35.5 | Very low | 183 Ų | 183 | 161.1 Ų | 161.1 | 85% | 0.847 | 77% | 0.771 | S | S | * | * | -152.5 | 99.5 | 122.3 | -82.9 | 75.3 | 0 | 0 | 0 | 106 | |||||
| 286 | S | 27.5 | Very low | 35.9 | Very low | 100 Ų | 100 | 157.2 Ų | 157.2 | 70% | 0.699 | 76% | 0.762 | S | S | * | * | 64 | 103 | 92.7 | -160.4 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 287 | R | 33.2 | Very low | 37.1 | Very low | 222 Ų | 222 | 153.8 Ų | 153.8 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | trans | 60.5 | 115 | 133.3 | -149.1 | -173.6 | -70 | -126.8 | -0.3 | 118.7 | ||||
| 288 | E | 30.8 | Very low | 38.4 | Very low | 176 Ų | 176 | 151.3 Ų | 151.3 | 82% | 0.822 | 76% | 0.762 | S | S | * | * | 179.3 | 132.5 | 109 | -99.7 | 173.7 | 171.5 | 0 | 0 | 111.8 | |||||
| 289 | V | 39 | Very low | 39.2 | Very low | 134 Ų | 134 | 152.9 Ų | 152.9 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | trans | -100.3 | 131.6 | 172.5 | 171.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 290 | P | 44.8 | Very low | 39.9 | Very low | 115 Ų | 115 | 158.5 Ų | 158.5 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | trans | -112 | 121.5 | 149.8 | -4.3 | 24.6 | 0 | 0 | 0 | 111.5 | V292 | P290-V292 PolarHBondContact O-N 3.27Š| ||
| 291 | T | 46.4 | Very low | 39.9 | Very low | 129 Ų | 129 | 155.3 Ų | 155.3 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -58.1 | 113.8 | 170.5 | -56.2 | 0 | 0 | 0 | 0 | 111 | R293 | T291-R293 PolarHBondContact O-N 3.4Š| ||
| 292 | V | 46.3 | Very low | 40.3 | Very low | 140 Ų | 140 | 151.1 Ų | 151.1 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | trans | -79.9 | 106.7 | 171.1 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | P290 | P290-V292 PolarHBondContact O-N 3.27Š| ||
| 293 | R | 41.2 | Very low | 40.6 | Very low | 230 Ų | 230 | 155.6 Ų | 155.6 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | trans | -79.9 | 121.5 | 171.8 | -162.1 | -175.1 | -166.8 | 147 | 2.2 | 108.4 | T291 Q295 | T291-R293 PolarHBondContact O-N 3.4Å; R293-Q295 PolarHBondContact O-N 3.47Å | ||
| 294 | Y | 41.3 | Very low | 41 | Very low | 198 Ų | 198 | 156.8 Ų | 156.8 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | -67 | 129 | 177 | -173.2 | -101 | 0 | 0 | 0 | 110.7 | ||||
| 295 | Q | 45.8 | Very low | 41.2 | Very low | 174 Ų | 174 | 155.6 Ų | 155.6 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | trans | -109.5 | 123.3 | 175.8 | -168.8 | 170.9 | 45.7 | 0 | 0 | 108 | R293 | R293-Q295 PolarHBondContact O-N 3.47Š| ||
| 296 | P | 47.6 | Very low | 41 | Very low | 98 Ų | 98 | 153.3 Ų | 153.3 | 64% | 0.636 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 150.4 | 177.5 | 27.8 | -32.1 | 0 | 0 | 0 | 111.5 | ||
| 297 | P | 55.3 | Low | 41.3 | Very low | 99 Ų | 99 | 158.1 Ų | 158.1 | 64% | 0.643 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70 | 155 | -175.3 | -13.8 | 29 | 0 | 0 | 0 | 113 | ||
| 298 | P | 58.9 | Low | 41.3 | Very low | 122 Ų | 122 | 156.8 Ų | 156.8 | 79% | 0.792 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 135.9 | -178.8 | -18.3 | 30.3 | 0 | 0 | 0 | 113.1 | Y300 | P298-Y300 PolarHBondContact O-N 2.92Š|
| 299 | E | 47.2 | Very low | 41.1 | Very low | 194 Ų | 194 | 155 Ų | 155 | 91% | 0.907 | 81% | 0.806 | S | S | * | * | trans | -73 | 112.4 | 176.9 | -68.5 | 142.5 | -177.1 | 0 | 0 | 110.4 | ||||
| 300 | Y | 40.1 | Very low | 41.2 | Very low | 239 Ų | 239 | 153.5 Ų | 153.5 | 94% | 0.937 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 122 | 169 | -114.7 | -93.7 | 0 | 0 | 0 | 110 | P298 | P298-Y300 PolarHBondContact O-N 2.92Š|
| 301 | G | 42.1 | Very low | 40.5 | Very low | 59 Ų | 59 | 155 Ų | 155 | 61% | 0.608 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 158.4 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 302 | S | 40.3 | Very low | 39.7 | Very low | 99 Ų | 99 | 156.5 Ų | 156.5 | 69% | 0.692 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 134.9 | 166.5 | 172.6 | 0 | 0 | 0 | 0 | 115.1 | ||
| 303 | F | 34.9 | Very low | 39 | Very low | 207 Ų | 207 | 159.8 Ų | 159.8 | 91% | 0.908 | 81% | 0.805 | S | S | * | * | trans | -132.3 | 114 | 148.8 | -71.9 | -75.1 | 0 | 0 | 0 | 110.6 | ||||
| 304 | R | 37.3 | Very low | 38.4 | Very low | 231 Ų | 231 | 157 Ų | 157 | 87% | 0.872 | 80% | 0.802 | S | S | * | * | trans | -78.3 | 134.7 | 164.3 | -68.3 | -162.3 | 179.2 | -82.7 | 0.7 | 109.1 | ||||
| 305 | S | 32.6 | Very low | 37.6 | Very low | 118 Ų | 118 | 158.7 Ų | 158.7 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | -95.2 | 111.7 | 168.4 | 177.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 306 | T | 29.6 | Very low | 37.5 | Very low | 136 Ų | 136 | 155.1 Ų | 155.1 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | -149.3 | 112.9 | 151.7 | 34.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 307 | K | 32.4 | Very low | 36.7 | Very low | 201 Ų | 201 | 157.5 Ų | 157.5 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -72.5 | 131.3 | 172.7 | -90 | 173.8 | 168.9 | 175.4 | 0 | 109.7 | ||||
| 308 | E | 32.6 | Very low | 35.5 | Very low | 193 Ų | 193 | 158.1 Ų | 158.1 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | trans | -124.1 | 140.4 | 149.4 | -77.4 | -168 | 176.8 | 0 | 0 | 109.6 | ||||
| 309 | V | 27.7 | Very low | 34.2 | Very low | 140 Ų | 140 | 160 Ų | 160 | 85% | 0.848 | 80% | 0.801 | S | S | * | * | trans | -103.7 | 115.1 | 174.6 | 165.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 310 | S | 40.1 | Very low | 33.3 | Very low | 102 Ų | 102 | 158.9 Ų | 158.9 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | 14.7 | 129.3 | 143.8 | -132.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 311 | V | 31.2 | Very low | 32.9 | Very low | 147 Ų | 147 | 152.9 Ų | 152.9 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | -160.8 | 141.2 | 111.9 | -95.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 312 | H | 29.4 | Very low | 34.1 | Very low | 160 Ų | 160 | 156 Ų | 156 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -36.4 | 146.4 | 170.8 | -119 | 54.1 | 0 | 0 | 0 | 118.8 | ||||
| 313 | Y | 31.4 | Very low | 33.8 | Very low | 209 Ų | 209 | 156.7 Ų | 156.7 | 82% | 0.82 | 80% | 0.803 | S | S | * | * | -176.8 | 148.4 | 106.1 | -100.7 | -79.9 | 0 | 0 | 0 | 114.5 | |||||
| 314 | Q | 28.1 | Very low | 34 | Very low | 171 Ų | 171 | 151.6 Ų | 151.6 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | trans | -11 | 143.9 | 174.9 | -72 | -170.5 | 9.6 | 0 | 0 | 127.6 | ||||
| 315 | R | 24.7 | Very low | 34.3 | Very low | 233 Ų | 233 | 145.2 Ų | 145.2 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | trans | -29.8 | -179.8 | 147.4 | -106.9 | -169.9 | 174.7 | 146.2 | 2.8 | 119.3 | ||||
| 316 | P | 44.2 | Very low | 34.5 | Very low | 99 Ų | 99 | 146.5 Ų | 146.5 | 64% | 0.643 | 79% | 0.787 | S | S | * | * | cis | -143.5 | 175.4 | -21.8 | 35.7 | -15 | 0 | 0 | 0 | 117.5 | ||||
| 317 | L | 30.8 | Very low | 34.8 | Very low | 148 Ų | 148 | 146.4 Ų | 146.4 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | trans | 88.1 | 138.2 | 138.3 | -128.6 | 83.6 | 0 | 0 | 0 | 124 | ||||
| 318 | N | 29.1 | Very low | 34.9 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 60% | 0.604 | 78% | 0.779 | S | S | * | * | trans | 69.9 | 113.4 | 155.9 | -80.4 | 10.3 | 0 | 0 | 0 | 119.9 | ||||
| 319 | Q | 32.3 | Very low | 35.3 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | 55.2 | 116.9 | 81.6 | -67.3 | -142.7 | 72 | 0 | 0 | 114.2 | |||||
| 320 | H | 29.4 | Very low | 35.5 | Very low | 170 Ų | 170 | 136.3 Ų | 136.3 | 79% | 0.787 | 77% | 0.772 | S | S | * | * | 165.3 | 130.6 | 127.9 | -74.3 | -52.8 | 0 | 0 | 0 | 111.1 | |||||
| 321 | S | 31.5 | Very low | 35.4 | Very low | 114 Ų | 114 | 137 Ų | 137 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | trans | -86.9 | -159.4 | 171.8 | -52 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 322 | P | 65.8 | Low | 35.8 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | -122 | -167.6 | -82 | 35.9 | -16.4 | 0 | 0 | 0 | 110.8 | |||||
| 323 | S | 35.6 | Very low | 36 | Very low | 114 Ų | 114 | 135.1 Ų | 135.1 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | 139.5 | 142.3 | 161.5 | -177 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 324 | S | 37.9 | Very low | 36.2 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | cis | 179.1 | 169.8 | 7.4 | -103.6 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 325 | S | 43.4 | Very low | 36.6 | Very low | 97 Ų | 97 | 132.5 Ų | 132.5 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | cis | -179.2 | 148.9 | -5.4 | -92.7 | 0 | 0 | 0 | 0 | 104.4 | ||||
| 326 | V | 36.7 | Very low | 37.2 | Very low | 146 Ų | 146 | 130.5 Ų | 130.5 | 89% | 0.885 | 78% | 0.776 | S | S | * | * | -165.9 | 128 | 122.7 | -86.4 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 327 | T | 36.2 | Very low | 36.5 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | -54.8 | 170.3 | 173.3 | 43.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 328 | S | 34.3 | Very low | 36.5 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | cis | 163 | 138.5 | -9.9 | 173 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 329 | V | 41.5 | Very low | 36.8 | Very low | 149 Ų | 149 | 129.4 Ų | 129.4 | 90% | 0.903 | 79% | 0.786 | S | S | * | * | trans | -171.9 | 121.5 | 136.6 | -87.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 330 | G | 32.4 | Very low | 36.8 | Very low | 69 Ų | 69 | 130.3 Ų | 130.3 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | 64 | 102.6 | 153.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 331 | S | 37.4 | Very low | 37 | Very low | 117 Ų | 117 | 127 Ų | 127 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | 63.9 | 122.8 | 74.9 | -58.7 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 332 | L | 39.5 | Very low | 36.8 | Very low | 157 Ų | 157 | 126.5 Ų | 126.5 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | cis | -156.4 | 142.5 | 45.2 | -74.2 | 165.5 | 0 | 0 | 0 | 113.3 | ||||
| 333 | S | 34.4 | Very low | 35.2 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | 53.6 | 137.8 | 137.2 | -59.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 334 | R | 36 | Very low | 35.2 | Very low | 239 Ų | 239 | 130.1 Ų | 130.1 | 90% | 0.902 | 79% | 0.787 | S | S | * | * | cis | -177.7 | 153.1 | 5.5 | 166.8 | 175.2 | 175 | 164.9 | -1.8 | 105.9 | ||||
| 335 | A | 35.3 | Very low | 34.8 | Very low | 85 Ų | 85 | 130.7 Ų | 130.7 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | trans | 95.4 | 90.8 | 162.9 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 336 | Q | 36.4 | Very low | 34.1 | Very low | 192 Ų | 192 | 131.1 Ų | 131.1 | 90% | 0.897 | 80% | 0.801 | S | S | * | * | 71.7 | 104.9 | 121.4 | -59.4 | -154.7 | -31.2 | 0 | 0 | 119.9 | |||||
| 337 | S | 29.8 | Very low | 33.8 | Very low | 106 Ų | 106 | 128.4 Ų | 128.4 | 74% | 0.741 | 79% | 0.794 | S | S | * | * | 76 | 101.8 | 125.1 | -137.7 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 338 | S | 31.6 | Very low | 33.6 | Very low | 105 Ų | 105 | 126.4 Ų | 126.4 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | 88.1 | 88.5 | 88.7 | -53.7 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 339 | T | 35.8 | Very low | 33.4 | Very low | 125 Ų | 125 | 130 Ų | 130 | 77% | 0.767 | 79% | 0.79 | S | S | * | * | trans | -27.2 | 138.1 | 139.2 | 44.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 340 | L | 31.4 | Very low | 33 | Very low | 180 Ų | 180 | 127.9 Ų | 127.9 | 94% | 0.942 | 78% | 0.782 | S | S | * | * | trans | -139.9 | 122.3 | 133.5 | -80.6 | -177.6 | 0 | 0 | 0 | 110.1 | ||||
| 341 | S | 33.3 | Very low | 33 | Very low | 101 Ų | 101 | 130 Ų | 130 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | -93.1 | 148.5 | 167.4 | -60.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 342 | S | 29.1 | Very low | 32.7 | Very low | 103 Ų | 103 | 132.7 Ų | 132.7 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | trans | 61.1 | 117.6 | 147.9 | -62.6 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 343 | M | 32.2 | Very low | 32.7 | Very low | 170 Ų | 170 | 131.1 Ų | 131.1 | 84% | 0.837 | 79% | 0.785 | S | S | * | * | 174 | 164.6 | 91.1 | -88.3 | -52.1 | -155.3 | 0 | 0 | 111.6 | |||||
| 344 | L | 35 | Very low | 32.5 | Very low | 144 Ų | 144 | 131.6 Ų | 131.6 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | trans | -61.5 | 155.8 | -160.1 | -79.9 | 81.9 | 0 | 0 | 0 | 120.2 | ||||
| 345 | S | 28.9 | Very low | 32.5 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | trans | 85.7 | 107.7 | 134.8 | -74.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 346 | A | 28.3 | Very low | 32.4 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 88% | 0.884 | 79% | 0.786 | S | S | * | * | trans | 156.4 | 135 | 132.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 347 | A | 31.8 | Very low | 32.2 | Very low | 89 Ų | 89 | 129.4 Ų | 129.4 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | cis | -158.8 | 154.9 | 7.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 348 | S | 32.3 | Very low | 32.3 | Very low | 91 Ų | 91 | 133.3 Ų | 133.3 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | trans | 47.4 | 127 | 141.7 | -47.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 349 | H | 30 | Very low | 32.3 | Very low | 179 Ų | 179 | 133.4 Ų | 133.4 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | 167.5 | 130.7 | 94.7 | -85.2 | -68.7 | 0 | 0 | 0 | 112.8 | |||||
| 350 | S | 33 | Very low | 32.5 | Very low | 104 Ų | 104 | 133.2 Ų | 133.2 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -67.2 | 144.1 | 160.5 | 56.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 351 | S | 31.8 | Very low | 32.8 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | 172.1 | 139.3 | 118.8 | 48.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 352 | H | 31.6 | Very low | 32.6 | Very low | 175 Ų | 175 | 131.4 Ų | 131.4 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | trans | -25.6 | 152.8 | 168.2 | -65.8 | -94.1 | 0 | 0 | 0 | 120.3 | ||||
| 353 | P | 38.8 | Very low | 32.7 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | trans | -87.5 | 133.3 | 157.3 | 34 | -26.2 | 0 | 0 | 0 | 110.8 | ||||
| 354 | S | 30.8 | Very low | 32.4 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | -139.1 | 124.2 | 161 | -69.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 355 | I | 36.2 | Very low | 32.4 | Very low | 159 Ų | 159 | 130.6 Ų | 130.6 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | trans | -78.2 | 145.7 | -179 | -68.5 | 172.5 | 0 | 0 | 0 | 108.9 | ||||
| 356 | P | 33.3 | Very low | 33 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | trans | -83 | 138.8 | -171.5 | 32.8 | -33.5 | 0 | 0 | 0 | 112.3 | ||||
| 357 | H | 30.6 | Very low | 33 | Very low | 195 Ų | 195 | 135 Ų | 135 | 90% | 0.903 | 78% | 0.783 | S | S | * | * | trans | -118.7 | 119 | 160.8 | -113 | -76.9 | 0 | 0 | 0 | 108.9 | ||||
| 358 | Q | 31.8 | Very low | 33.7 | Very low | 189 Ų | 189 | 136 Ų | 136 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 136.9 | 167.5 | -74.2 | -179.2 | 69 | 0 | 0 | 109.9 | ||
| 359 | S | 32.6 | Very low | 33.5 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -96.4 | 155.8 | 158.5 | 55 | 0 | 0 | 0 | 0 | 109.8 | ||
| 360 | P | 40.3 | Very low | 33.7 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 79% | 0.786 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 166.1 | -160.2 | 31.8 | -35.4 | 0 | 0 | 0 | 114.9 | ||
| 361 | P | 37.4 | Very low | 33.5 | Very low | 127 Ų | 127 | 137.5 Ų | 137.5 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -86 | 150.7 | 177.4 | 34.9 | -33.1 | 0 | 0 | 0 | 113 | ||
| 362 | S | 29 | Very low | 34.3 | Very low | 115 Ų | 115 | 138 Ų | 138 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -93.1 | 134.5 | 166.6 | 49.1 | 0 | 0 | 0 | 0 | 111.5 | ||
| 363 | Q | 30.3 | Very low | 34.3 | Very low | 192 Ų | 192 | 140.5 Ų | 140.5 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | trans | -143.5 | 123.2 | 162 | -77 | -91.1 | -29.5 | 0 | 0 | 108.8 | ||||
| 364 | G | 26.9 | Very low | 33.9 | Very low | 65 Ų | 65 | 140.6 Ų | 140.6 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | trans | -81.6 | 170.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 365 | E | 34 | Very low | 34.9 | Very low | 143 Ų | 143 | 139 Ų | 139 | 67% | 0.668 | 78% | 0.78 | S | S | * | * | cis | -175.9 | 172 | 49.1 | -89.4 | -73.6 | 145.5 | 0 | 0 | 107 | Y367 | E365-Y367 VanDerWaalsContact OE2-CD2 3.29Å; E365-Y367 WeakPolarHBondContact OE2-CD2 3.47Å; E365-Y367 WeakPolarHBondContact OE2-CE2 3.44Å | ||
| 366 | P | 41.9 | Very low | 34.8 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 77% | 0.766 | 78% | 0.783 | S | S | * | * | cis | -150.1 | 162 | 40.8 | 37.9 | -13.1 | 0 | 0 | 0 | 120.7 | ||||
| 367 | Y | 29.6 | Very low | 34.6 | Very low | 193 Ų | 193 | 138 Ų | 138 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | trans | -20.1 | 159.4 | 160.6 | -68.3 | -76.2 | 0 | 0 | 0 | 121.5 | E365 | E365-Y367 VanDerWaalsContact OE2-CD2 3.29Å; E365-Y367 WeakPolarHBondContact OE2-CD2 3.47Å; E365-Y367 WeakPolarHBondContact OE2-CE2 3.44Å | ||
| 368 | P | 45.5 | Very low | 34.7 | Very low | 110 Ų | 110 | 135 Ų | 135 | 71% | 0.714 | 78% | 0.779 | S | S | * | * | -149.6 | 154.2 | 53.6 | 39.8 | -18.1 | 0 | 0 | 0 | 120.4 | |||||
| 369 | I | 28.6 | Very low | 34.6 | Very low | 167 Ų | 167 | 129.9 Ų | 129.9 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | trans | -129.4 | 135.9 | 152 | -81.2 | 178.8 | 0 | 0 | 0 | 108.9 | ||||
| 370 | M | 33.4 | Very low | 34.6 | Very low | 168 Ų | 168 | 129.9 Ų | 129.9 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | trans | -70.2 | 151 | -179 | -65.2 | -84.9 | 93.2 | 0 | 0 | 113.2 | ||||
| 371 | G | 29.8 | Very low | 34.1 | Very low | 70 Ų | 70 | 132 Ų | 132 | 72% | 0.722 | 78% | 0.777 | S | S | * | * | trans | -73.4 | -159.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 372 | P | 47.8 | Very low | 33.8 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | cis | -143.1 | 160.7 | 32.2 | 39.3 | -18.8 | 0 | 0 | 0 | 119.4 | ||||
| 373 | R | 31 | Very low | 33.8 | Very low | 228 Ų | 228 | 133.9 Ų | 133.9 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | 46.9 | 118.2 | 140.2 | -76.8 | -168 | 169.4 | 167.1 | -1.8 | 122.1 | ||||
| 374 | V | 31.1 | Very low | 33.8 | Very low | 127 Ų | 127 | 129 Ų | 129 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | 85.3 | 150.3 | 70.7 | 167.5 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 375 | P | 51.2 | Low | 33.9 | Very low | 88 Ų | 88 | 132.5 Ų | 132.5 | 57% | 0.571 | 76% | 0.762 | S | S | * | * | cis | -143.4 | 177.5 | 9 | 26.6 | -0.5 | 0 | 0 | 0 | 120.6 | ||||
| 376 | H | 35.5 | Very low | 34.2 | Very low | 188 Ų | 188 | 131.1 Ų | 131.1 | 87% | 0.87 | 77% | 0.765 | S | S | * | * | trans | 82.1 | 135.6 | 148.6 | -56.6 | -44.6 | 0 | 0 | 0 | 119.8 | ||||
| 377 | G | 28.7 | Very low | 33.7 | Very low | 63 Ų | 63 | 133.3 Ų | 133.3 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | cis | -176.9 | 162.2 | 2.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 378 | S | 33.3 | Very low | 35.2 | Very low | 132 Ų | 132 | 129.1 Ų | 129.1 | 92% | 0.923 | 76% | 0.759 | S | S | * | * | trans | 51.9 | 128.2 | 145.3 | 48.3 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 379 | G | 28.8 | Very low | 35.3 | Very low | 82 Ų | 82 | 129.8 Ų | 129.8 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | trans | 163.4 | 96.7 | 153.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 380 | S | 31.8 | Very low | 35.3 | Very low | 108 Ų | 108 | 125.2 Ų | 125.2 | 76% | 0.755 | 76% | 0.757 | S | S | * | * | trans | -68.7 | 151 | -176.2 | -60.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 381 | H | 31 | Very low | 36.2 | Very low | 166 Ų | 166 | 123.1 Ų | 123.1 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | 66.1 | 124 | 133 | -79.2 | -61.3 | 0 | 0 | 0 | 124 | ||||
| 382 | Q | 31.2 | Very low | 36.3 | Very low | 158 Ų | 158 | 125.9 Ų | 125.9 | 74% | 0.738 | 76% | 0.759 | S | S | * | * | 86.4 | 120.9 | 125 | -64 | -97.5 | 77.4 | 0 | 0 | 121.3 | |||||
| 383 | V | 28.9 | Very low | 35.5 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 75% | 0.745 | 76% | 0.757 | S | S | * | * | 86.7 | 134.2 | 124.4 | 170.2 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 384 | A | 29.2 | Very low | 35.3 | Very low | 89 Ų | 89 | 125.3 Ų | 125.3 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | 106.2 | 103 | 149.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 385 | E | 29.2 | Very low | 35.2 | Very low | 139 Ų | 139 | 124.1 Ų | 124.1 | 65% | 0.65 | 75% | 0.748 | S | S | * | * | trans | -43.6 | 166.2 | 137.7 | -87.8 | -111.3 | 130.6 | 0 | 0 | 113.1 | F387 | E385-F387 WeakPolarHBondContact OE1-CD2 3.47Å; E385-F387 WeakPolarHBondContact OE1-CE2 3.45Å | ||
| 386 | P | 40.5 | Very low | 34.3 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | cis | -146.2 | 169.9 | 32.9 | 29.2 | -3.1 | 0 | 0 | 0 | 118.6 | ||||
| 387 | F | 31.4 | Very low | 34.1 | Very low | 165 Ų | 165 | 124.2 Ų | 124.2 | 72% | 0.724 | 75% | 0.749 | S | S | * | * | trans | -46.3 | -169.9 | 167 | -74.3 | -87.3 | 0 | 0 | 0 | 118.2 | E385 | E385-F387 WeakPolarHBondContact OE1-CD2 3.47Å; E385-F387 WeakPolarHBondContact OE1-CE2 3.45Å | ||
| 388 | P | 61.4 | Low | 34.3 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 68% | 0.682 | 76% | 0.759 | S | S | * | * | -131.8 | -161.3 | -66.9 | 43 | -23.3 | 0 | 0 | 0 | 110.3 | |||||
| 389 | P | 46.7 | Very low | 34 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 81% | 0.805 | 75% | 0.752 | S | S | * | * | -150.4 | 158 | 73.9 | 32.6 | -8.7 | 0 | 0 | 0 | 116.5 | |||||
| 390 | G | 28.8 | Very low | 34.3 | Very low | 71 Ų | 71 | 134.1 Ų | 134.1 | 73% | 0.732 | 75% | 0.753 | S | S | * | * | trans | -83.3 | -142.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 391 | P | 53.5 | Low | 34.2 | Very low | 124 Ų | 124 | 133.7 Ų | 133.7 | 81% | 0.805 | 76% | 0.756 | S | S | * | * | cis | -116.2 | -177.3 | -32.6 | 24.4 | -1 | 0 | 0 | 0 | 110.1 | ||||
| 392 | V | 31.4 | Very low | 34.4 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 77% | 0.77 | 76% | 0.761 | S | S | * | * | 178 | 131.7 | 98 | 172.1 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 393 | H | 30.4 | Very low | 34.4 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | 6.1 | 136.7 | 151.6 | -82.9 | -122.5 | 0 | 0 | 0 | 122.9 | ||||
| 394 | Q | 28.1 | Very low | 34.7 | Very low | 176 Ų | 176 | 134.6 Ų | 134.6 | 82% | 0.822 | 76% | 0.764 | S | S | * | * | 178.4 | 112.7 | 110.9 | -102.1 | 176 | 83.4 | 0 | 0 | 111.3 | |||||
| 395 | T | 27.6 | Very low | 34.7 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 63% | 0.626 | 77% | 0.769 | S | S | * | * | 75.9 | 127.4 | 94.9 | 60 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 396 | T | 31.9 | Very low | 34.7 | Very low | 117 Ų | 117 | 137.1 Ų | 137.1 | 72% | 0.718 | 78% | 0.779 | S | S | * | * | trans | 95.4 | 110 | 138.5 | -58.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 397 | Q | 31.4 | Very low | 34.4 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | 65 | 118.1 | 139.2 | -64.5 | -157 | 61.7 | 0 | 0 | 120.8 | ||||
| 398 | R | 33 | Very low | 34.6 | Very low | 224 Ų | 224 | 138.1 Ų | 138.1 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | 76.5 | 110.1 | 80.9 | -159.4 | -168.1 | -145.2 | -174.7 | 7.9 | 112.4 | |||||
| 399 | G | 27.7 | Very low | 33.2 | Very low | 76 Ų | 76 | 138.8 Ų | 138.8 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | 178.8 | 109.3 | 167.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 400 | H | 35.2 | Very low | 32.8 | Very low | 186 Ų | 186 | 139.2 Ų | 139.2 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | trans | -71.1 | 145.8 | 170.9 | -64.7 | -91.4 | 0 | 0 | 0 | 110.8 | ||||
| 401 | A | 30.1 | Very low | 33.3 | Very low | 99 Ų | 99 | 142.1 Ų | 142.1 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | 153.1 | 142.4 | 123.7 | 0 | 0 | 0 | 0 | 0 | 112 | |||||
| 402 | F | 35.3 | Very low | 32.5 | Very low | 200 Ų | 200 | 146.8 Ų | 146.8 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | trans | -55.4 | 149.6 | 172.5 | -76.2 | -101.8 | 0 | 0 | 0 | 113.5 | ||||
| 403 | L | 29.9 | Very low | 33 | Very low | 176 Ų | 176 | 148.6 Ų | 148.6 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -132.7 | 122.7 | 153.4 | -112.8 | 152.1 | 0 | 0 | 0 | 107.7 | ||||
| 404 | S | 36.3 | Very low | 33.7 | Very low | 89 Ų | 89 | 149.5 Ų | 149.5 | 62% | 0.622 | 81% | 0.809 | S | S | * | * | trans | -83.6 | 165.6 | 175.5 | -59.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 405 | D | 29.1 | Very low | 34.6 | Very low | 158 Ų | 158 | 149.5 Ų | 149.5 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | 90.3 | 112.6 | 160.1 | -58.1 | -21.7 | 0 | 0 | 0 | 117.8 | ||||
| 406 | S | 28 | Very low | 35.1 | Very low | 123 Ų | 123 | 153 Ų | 153 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | -177.8 | 146.9 | 90.2 | -155.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 407 | Y | 34.6 | Very low | 35.7 | Very low | 235 Ų | 235 | 156.1 Ų | 156.1 | 92% | 0.922 | 82% | 0.824 | S | S | * | * | trans | -59.3 | 145.6 | -177.8 | -109.7 | -113.5 | 0 | 0 | 0 | 114.2 | ||||
| 408 | G | 36.4 | Very low | 36.3 | Very low | 65 Ų | 65 | 156.5 Ų | 156.5 | 67% | 0.67 | 83% | 0.826 | S | S | * | * | trans | 72 | 107.5 | 139.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 409 | S | 30.9 | Very low | 36.8 | Very low | 119 Ų | 119 | 154.4 Ų | 154.4 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | 176.4 | 128.1 | 124.9 | -81.4 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 410 | T | 39.8 | Very low | 37.6 | Very low | 133 Ų | 133 | 158 Ų | 158 | 82% | 0.816 | 83% | 0.827 | S | S | * | * | trans | -53 | 129.9 | 165.1 | 35.3 | 0 | 0 | 0 | 0 | 111.8 | R412 | T410-R412 PolarHBondContact O-N 3.43Š| ||
| 411 | P | 38.3 | Very low | 38 | Very low | 132 Ų | 132 | 158.3 Ų | 158.3 | 86% | 0.857 | 83% | 0.829 | S | S | * | * | trans | -84.8 | 100.4 | 153.1 | 27.4 | -16.6 | 0 | 0 | 0 | 107.6 | ||||
| 412 | R | 37 | Very low | 38.6 | Very low | 221 Ų | 221 | 160 Ų | 160 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | trans | -34 | 131.2 | 160.7 | -173.4 | 173.8 | 178.2 | -117.2 | 4.1 | 112.2 | T410 H414 | T410-R412 PolarHBondContact O-N 3.43Å; R412-H414 PolarHBondContact O-N 2.92Å | ||
| 413 | L | 41.6 | Very low | 39.1 | Very low | 166 Ų | 166 | 159 Ų | 159 | 87% | 0.869 | 83% | 0.831 | S | S | * | * | trans | -36.1 | 127 | 168.6 | -59.4 | 175.2 | 0 | 0 | 0 | 112.9 | ||||
| 414 | H | 45.6 | Very low | 39.9 | Very low | 182 Ų | 182 | 160 Ų | 160 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | trans | -104.9 | 134.1 | 151.5 | -101 | 85.5 | 0 | 0 | 0 | 108.6 | R412 | R412-H414 PolarHBondContact O-N 2.92Š| ||
| 415 | H | 46 | Very low | 40.4 | Very low | 176 Ų | 176 | 164.8 Ų | 164.8 | 82% | 0.815 | 84% | 0.843 | S | S | * | * | trans | 95.3 | 69.4 | 160.8 | -131.8 | 78.8 | 0 | 0 | 0 | 118.8 | ||||
| 416 | H | 39.4 | Very low | 41 | Very low | 176 Ų | 176 | 166.1 Ų | 166.1 | 82% | 0.815 | 84% | 0.844 | S | S | * | * | trans | -149.6 | 75.7 | 134.7 | -152.2 | 75.1 | 0 | 0 | 0 | 110.9 | ||||
| 417 | Q | 43.9 | Very low | 41.8 | Very low | 183 Ų | 183 | 168.8 Ų | 168.8 | 86% | 0.855 | 85% | 0.848 | S | S | * | * | trans | -118.8 | 81.4 | 164 | -174.2 | 180 | 74.7 | 0 | 0 | 107.4 | ||||
| 418 | Q | 44.5 | Very low | 42 | Very low | 167 Ų | 167 | 166.9 Ų | 166.9 | 78% | 0.78 | 85% | 0.848 | S | S | * | * | trans | -143.6 | 53.5 | 167.4 | -144.9 | -157.9 | 56.4 | 0 | 0 | 111.8 | ||||
| 419 | H | 42.7 | Very low | 42 | Very low | 181 Ų | 181 | 167.1 Ų | 167.1 | 84% | 0.838 | 85% | 0.85 | S | S | * | * | S | Bend | trans | -154.6 | 43.6 | 165 | -134 | 81.5 | 0 | 0 | 0 | 114.8 | ||
| 420 | N | 44 | Very low | 43.1 | Very low | 151 Ų | 151 | 167.7 Ų | 167.7 | 81% | 0.807 | 85% | 0.851 | S | S | * | * | trans | -142 | 38 | 177.3 | -131.3 | -8.5 | 0 | 0 | 0 | 114.7 | ||||
| 421 | Q | 44.3 | Very low | 42.7 | Very low | 193 Ų | 193 | 166.8 Ų | 166.8 | 90% | 0.902 | 85% | 0.85 | S | S | * | * | trans | -100.5 | 9.3 | -176.8 | -133.8 | -168.5 | 96.5 | 0 | 0 | 115.9 | ||||
| 422 | C | 42 | Very low | 42.9 | Very low | 133 Ų | 133 | 169.3 Ų | 169.3 | 90% | 0.899 | 85% | 0.85 | S | S | * | * | S | Bend | trans | -106.9 | 7.6 | 178.5 | -80.4 | 0 | 0 | 0 | 0 | 116.5 | ||
| 423 | Q | 45.9 | Very low | 43.6 | Very low | 181 Ų | 181 | 164 Ų | 164 | 85% | 0.846 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -138.9 | 73.6 | 174.7 | -85.6 | -161.7 | 68.3 | 0 | 0 | 112.5 | ||
| 424 | Q | 47.1 | Very low | 43.3 | Very low | 195 Ų | 195 | 164.5 Ų | 164.5 | 91% | 0.911 | 84% | 0.842 | S | S | * | * | trans | -156.7 | 77.9 | 149.2 | -151.2 | 171.1 | 103.8 | 0 | 0 | 111.3 | ||||
| 425 | Q | 46.4 | Very low | 43.9 | Very low | 191 Ų | 191 | 163.4 Ų | 163.4 | 89% | 0.893 | 84% | 0.841 | S | S | * | * | trans | -151.1 | 85.4 | 154.6 | -149.7 | 166.4 | 99.3 | 0 | 0 | 110.3 | ||||
| 426 | Q | 43.6 | Very low | 43.3 | Very low | 186 Ų | 186 | 160.6 Ų | 160.6 | 87% | 0.869 | 84% | 0.842 | S | S | * | * | trans | 177.4 | 109.6 | 137.1 | -104.7 | 175.3 | 56.4 | 0 | 0 | 110 | ||||
| 427 | L | 44.6 | Very low | 43.9 | Very low | 179 Ų | 179 | 159 Ų | 159 | 94% | 0.937 | 84% | 0.836 | S | S | * | * | trans | -153.7 | 85.1 | 152.2 | -103.1 | 139.6 | 0 | 0 | 0 | 107.6 | ||||
| 428 | Q | 38.3 | Very low | 43.6 | Very low | 195 Ų | 195 | 159.1 Ų | 159.1 | 91% | 0.911 | 84% | 0.837 | S | S | * | * | trans | -143 | 110 | 155.5 | -115.3 | 163.6 | 48 | 0 | 0 | 106.9 | ||||
| 429 | G | 35.7 | Very low | 43.8 | Very low | 70 Ų | 70 | 158 Ų | 158 | 72% | 0.722 | 84% | 0.836 | S | S | * | * | trans | -84.9 | -168.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 430 | P | 55 | Low | 43.7 | Very low | 130 Ų | 130 | 158.4 Ų | 158.4 | 84% | 0.844 | 84% | 0.838 | S | S | * | * | -118.3 | 154.3 | -72 | 35.3 | -27.4 | 0 | 0 | 0 | 110.8 | |||||
| 431 | S | 31 | Very low | 44.1 | Very low | 114 Ų | 114 | 153.4 Ų | 153.4 | 80% | 0.797 | 82% | 0.822 | S | S | * | * | trans | -146.6 | 104.9 | 159.6 | 54.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 432 | H | 42.7 | Very low | 44.4 | Very low | 185 Ų | 185 | 151.2 Ų | 151.2 | 86% | 0.856 | 81% | 0.812 | S | S | * | * | trans | -57.3 | 143 | 155 | -84 | -66.5 | 0 | 0 | 0 | 108.2 | ||||
| 433 | P | 51.8 | Low | 45.6 | Very low | 111 Ų | 111 | 149.5 Ų | 149.5 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | -143.2 | 154.7 | 82.6 | 37.3 | -20.1 | 0 | 0 | 0 | 115.8 | |||||
| 434 | Q | 35.3 | Very low | 46.9 | Very low | 175 Ų | 175 | 148.6 Ų | 148.6 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 86.8 | 108.4 | 141.5 | -130.3 | 172.6 | -79.5 | 0 | 0 | 119.9 | ||||
| 435 | L | 56.6 | Low | 48.6 | Very low | 159 Ų | 159 | 141.9 Ų | 141.9 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | trans | -29.1 | 128.7 | 146 | -66.8 | 155.5 | 0 | 0 | 0 | 113.9 | ||||
| 436 | S | 35.2 | Very low | 50.3 | Low | 117 Ų | 117 | 137.3 Ų | 137.3 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | -153.9 | 107.6 | 138.7 | 63.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 437 | M | 50.8 | Low | 52.2 | Low | 143 Ų | 143 | 134.4 Ų | 134.4 | 70% | 0.704 | 74% | 0.743 | S | S | * | * | trans | -14.8 | 128.9 | 159 | -61.2 | -84.3 | 82.6 | 0 | 0 | 116.7 | L439 | M437-L439 HydrophobicContact CE-CB 4.48Å; M437-L439 HydrophobicContact SD-CB 4.49Å | ||
| 438 | Q | 38.8 | Very low | 54.2 | Low | 186 Ų | 186 | 128.3 Ų | 128.3 | 87% | 0.869 | 72% | 0.719 | S | S | * | * | trans | -138.9 | 63.5 | 135.3 | -164.3 | 93.9 | -21.8 | 0 | 0 | 107.3 | Q440 | Q438-Q440 PolarHBondContact O-N 3.36Š| ||
| 439 | L | 48.2 | Very low | 56.6 | Low | 144 Ų | 144 | 124.9 Ų | 124.9 | 75% | 0.754 | 70% | 0.702 | S | S | * | * | trans | -80.3 | 78.6 | 170.2 | -166.7 | 74.6 | 0 | 0 | 0 | 108 | M437 | M437-L439 HydrophobicContact CE-CB 4.48Å; M437-L439 HydrophobicContact SD-CB 4.49Å | ||
| 440 | Q | 41.2 | Very low | 59.3 | Low | 188 Ų | 188 | 123.5 Ų | 123.5 | 88% | 0.879 | 69% | 0.685 | S | S | * | * | trans | -147.6 | 79 | 164.5 | -133 | 176.8 | 35 | 0 | 0 | 108.7 | Q438 | Q438-Q440 PolarHBondContact O-N 3.36Š| ||
| 441 | G | 52.2 | Low | 61.1 | Low | 47 Ų | 47 | 122.3 Ų | 122.3 | 49% | 0.485 | 67% | 0.668 | S | S | . | * | S | Bend | trans | -168.6 | 115.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||
| 442 | E | 50.3 | Low | 64.1 | Low | 146 Ų | 146 | 122.7 Ų | 122.7 | 68% | 0.682 | 66% | 0.657 | S | S | * | * | trans | -19.7 | 131.4 | 178.2 | -70.1 | -69.3 | 142.5 | 0 | 0 | 114.4 | F444 A445 | E442-F444 HydrophobicContact CB-CB 4.31Å; E442-F444 PolarHBondContact O-N 2.92Å; E442-A445 WeakPolarHBondContact O-CB 3.43Å; E442-A445 PolarHBondContact O-N 3.42Å | ||
| 443 | P | 67.3 | Low | 66.6 | Low | 97 Ų | 97 | 118.9 Ų | 118.9 | 63% | 0.63 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -47.3 | -26.1 | 174.5 | -26.4 | 32.4 | 0 | 0 | 0 | 113.8 | M447 | P443-M447 WeakPolarHBondContact O-CE 3.39Å; P443-M447 PolarHBondContact O-N 3.4Å |
| 444 | F | 73.2 | Confident | 68.7 | Low | 162 Ų | 162 | 117 Ų | 117 | 71% | 0.711 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.5 | -36.8 | 174.4 | -162.8 | -101.1 | 0 | 0 | 0 | 114.3 | E442 A448 | E442-F444 HydrophobicContact CB-CB 4.31Å; E442-F444 PolarHBondContact O-N 2.92Å; F444-A448 WeakPolarHBondContact O-CB 3.22Å; F444-A448 PolarHBondContact O-N 3.29Å |
| 445 | A | 81.5 | Confident | 71.6 | Confident | 54 Ų | 54 | 113 Ų | 113 | 45% | 0.446 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -73.6 | -37.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | E442 A448 H449 | E442-A445 WeakPolarHBondContact O-CB 3.43Å; E442-A445 PolarHBondContact O-N 3.42Å; A445-A448 PolarHBondContact O-N 2.89Å; A445-H449 PolarHBondContact O-N 3.23Å |
| 446 | V | 82.9 | Confident | 73.5 | Confident | 96 Ų | 96 | 109 Ų | 109 | 58% | 0.582 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -68.4 | -40.4 | 175 | -178.9 | 0 | 0 | 0 | 0 | 110.6 | H449 A450 | V446-H449 PolarHBondContact O-N 3.48Å; V446-A450 WeakPolarHBondContact O-CB 3.33Å; V446-A450 PolarHBondContact O-N 2.9Å |
| 447 | M | 83.3 | Confident | 76.4 | Confident | 124 Ų | 124 | 108.2 Ų | 108.2 | 61% | 0.611 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.7 | -39.8 | 172.4 | -78.7 | -170.7 | -73 | 0 | 0 | 112.4 | P443 A450 Q451 | P443-M447 WeakPolarHBondContact O-CE 3.39Å; P443-M447 PolarHBondContact O-N 3.4Å; M447-A450 PolarHBondContact O-N 2.92Å; M447-Q451 VanDerWaalsContact O-CB 3.31Å; M447-Q451 WeakPolarHBondContact O-CB 3.27Å; M447-Q451 PolarHBondContact O-N 3.32Å |
| 448 | A | 87.2 | Confident | 78.6 | Confident | 51 Ų | 51 | 105.5 Ų | 105.5 | 42% | 0.421 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.9 | -41.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F444 A445 Q451 Q452 | F444-A448 WeakPolarHBondContact O-CB 3.22Å; F444-A448 PolarHBondContact O-N 3.29Å; A445-A448 PolarHBondContact O-N 2.89Å; A448-Q451 PolarHBondContact O-N 3.39Å; A448-Q452 WeakPolarHBondContact O-CB 3.38Å; A448-Q452 PolarHBondContact O-N 3.48Å |
| 449 | H | 87.7 | Confident | 81.3 | Confident | 123 Ų | 123 | 100.4 Ų | 100.4 | 57% | 0.569 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -64.8 | -43.6 | 174.5 | 179.2 | -86.6 | 0 | 0 | 0 | 112.1 | A445 V446 Q451 Q452 M453 | A445-H449 PolarHBondContact O-N 3.23Å; V446-H449 PolarHBondContact O-N 3.48Å; H449-Q451 VanDerWaalsContact C-N 3.34Å; H449-Q451 PolarHBondContact O-N 3.43Å; H449-Q452 PolarHBondContact O-N 2.8Å; H449-M453 PolarHBondContact O-N 3.02Å |
| 450 | A | 92.5 | Very high | 83.7 | Confident | 42 Ų | 42 | 98.9 Ų | 98.9 | 35% | 0.347 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.8 | -40.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V446 M447 M453 V454 | V446-A450 WeakPolarHBondContact O-CB 3.33Å; V446-A450 PolarHBondContact O-N 2.9Å; M447-A450 PolarHBondContact O-N 2.92Å; A450-M453 PolarHBondContact O-N 3.26Å; A450-V454 WeakPolarHBondContact O-CG2 3.47Å; A450-V454 PolarHBondContact O-N 2.88Å |
| 451 | Q | 92.6 | Very high | 86.3 | Confident | 104 Ų | 104 | 93.8 Ų | 93.8 | 49% | 0.486 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 175.7 | -173.2 | 61 | 51.4 | 0 | 0 | 111.5 | M447 A448 H449 M453 V454 D455 | M447-Q451 VanDerWaalsContact O-CB 3.31Å; M447-Q451 WeakPolarHBondContact O-CB 3.27Å; M447-Q451 PolarHBondContact O-N 3.32Å; A448-Q451 PolarHBondContact O-N 3.39Å; H449-Q451 VanDerWaalsContact C-N 3.34Å; H449-Q451 PolarHBondContact O-N 3.43Å; Q451-M453 VanDerWaalsContact C-N 3.3Å; Q451-M453 PolarHBondContact O-N 3.22Å; Q451-V454 WeakPolarHBondContact O-CB 3.32Å; Q451-V454 PolarHBondContact O-N 3.43Å; Q451-V454 VanDerWaalsContact O-N 3.13Å; Q451-D455 PolarHBondContact NE2-OD1 3.08Å; Q451-D455 PolarHBondContact O-N 3.48Å |
| 452 | Q | 95.4 | Very high | 88.5 | Confident | 122 Ų | 122 | 97.8 Ų | 97.8 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.4 | -42.4 | 175.9 | -177.3 | -178.1 | 2.3 | 0 | 0 | 111.9 | A448 H449 D455 V456 | A448-Q452 WeakPolarHBondContact O-CB 3.38Å; A448-Q452 PolarHBondContact O-N 3.48Å; H449-Q452 PolarHBondContact O-N 2.8Å; Q452-D455 PolarHBondContact O-N 2.81Å; Q452-V456 WeakPolarHBondContact O-CG2 3.38Å; Q452-V456 PolarHBondContact O-N 3.18Å |
| 453 | M | 94.4 | Very high | 90.8 | Very high | 106 Ų | 106 | 94.1 Ų | 94.1 | 52% | 0.522 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 176.3 | -175.7 | 171.2 | 60.4 | 0 | 0 | 111.7 | H449 A450 Q451 D455 V456 M457 | H449-M453 PolarHBondContact O-N 3.02Å; A450-M453 PolarHBondContact O-N 3.26Å; Q451-M453 VanDerWaalsContact C-N 3.3Å; Q451-M453 PolarHBondContact O-N 3.22Å; M453-D455 VanDerWaalsContact C-N 3.33Å; M453-D455 PolarHBondContact O-N 2.81Å; M453-V456 PolarHBondContact O-N 2.89Å; M453-M457 HydrophobicContact CG-SD 4.3Å; M453-M457 WeakPolarHBondContact O-CB 3.4Å; M453-M457 VanDerWaalsContact O-CG 3.28Å; M453-M457 WeakPolarHBondContact O-CG 3.33Å; M453-M457 PolarHBondContact O-N 3.44Å |
| 454 | V | 95.9 | Very high | 92.2 | Very high | 72 Ų | 72 | 94 Ų | 94 | 44% | 0.436 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 173.9 | 169.2 | 0 | 0 | 0 | 0 | 111.1 | A450 Q451 M457 T458 | A450-V454 WeakPolarHBondContact O-CG2 3.47Å; A450-V454 PolarHBondContact O-N 2.88Å; Q451-V454 WeakPolarHBondContact O-CB 3.32Å; Q451-V454 PolarHBondContact O-N 3.43Å; Q451-V454 VanDerWaalsContact O-N 3.13Å; V454-M457 PolarHBondContact O-N 2.86Å; V454-T458 VanDerWaalsContact O-CB 3.26Å; V454-T458 WeakPolarHBondContact O-CB 3.5Å; V454-T458 PolarHBondContact O-N 3.31Å; V454-T458 PolarHBondContact O-OG1 3.45Å |
| 455 | D | 96 | Very high | 93.4 | Very high | 89 Ų | 89 | 95.1 Ų | 95.1 | 48% | 0.476 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.5 | -44.7 | 180 | -64.4 | -17.3 | 0 | 0 | 0 | 111.4 | Q451 Q452 M453 T458 E459 | Q451-D455 PolarHBondContact NE2-OD1 3.08Å; Q451-D455 PolarHBondContact O-N 3.48Å; Q452-D455 PolarHBondContact O-N 2.81Å; M453-D455 VanDerWaalsContact C-N 3.33Å; M453-D455 PolarHBondContact O-N 2.81Å; D455-T458 PolarHBondContact O-N 3.09Å; D455-E459 WeakPolarHBondContact O-CB 3.4Å; D455-E459 PolarHBondContact O-N 3.39Å |
| 456 | V | 95.9 | Very high | 94.2 | Very high | 77 Ų | 77 | 98 Ų | 98 | 47% | 0.467 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62 | -47.8 | 175.1 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | Q452 M453 T458 E459 E460 | Q452-V456 WeakPolarHBondContact O-CG2 3.38Å; Q452-V456 PolarHBondContact O-N 3.18Å; M453-V456 PolarHBondContact O-N 2.89Å; V456-T458 VanDerWaalsContact C-N 3.27Å; V456-T458 PolarHBondContact O-N 3.07Å; V456-E459 PolarHBondContact O-N 3.44Å; V456-E460 HydrophobicContact CG1-CG 4.48Å; V456-E460 WeakPolarHBondContact O-CG 3.39Å; V456-E460 PolarHBondContact O-N 2.87Å |
| 457 | M | 96.9 | Very high | 94.9 | Very high | 100 Ų | 100 | 98.9 Ų | 98.9 | 49% | 0.493 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -34.6 | 177.1 | -72.8 | -176.7 | 73.4 | 0 | 0 | 112.4 | M453 V454 N461 | M453-M457 HydrophobicContact CG-SD 4.3Å; M453-M457 WeakPolarHBondContact O-CB 3.4Å; M453-M457 VanDerWaalsContact O-CG 3.28Å; M453-M457 WeakPolarHBondContact O-CG 3.33Å; M453-M457 PolarHBondContact O-N 3.44Å; V454-M457 PolarHBondContact O-N 2.86Å; M457-N461 WeakPolarHBondContact O-CB 3.33Å; M457-N461 PolarHBondContact O-N 3.47Å; M457-N461 PolarHBondContact O-ND2 2.86Å |
| 458 | T | 96.3 | Very high | 95.6 | Very high | 85 Ų | 85 | 98 Ų | 98 | 52% | 0.521 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -68 | -41.8 | 177.1 | -59.7 | 0 | 0 | 0 | 0 | 110.4 | V454 D455 V456 N461 R462 | V454-T458 VanDerWaalsContact O-CB 3.26Å; V454-T458 WeakPolarHBondContact O-CB 3.5Å; V454-T458 PolarHBondContact O-N 3.31Å; V454-T458 PolarHBondContact O-OG1 3.45Å; D455-T458 PolarHBondContact O-N 3.09Å; V456-T458 VanDerWaalsContact C-N 3.27Å; V456-T458 PolarHBondContact O-N 3.07Å; T458-N461 PolarHBondContact O-N 3.45Å; T458-R462 WeakPolarHBondContact O-CB 3.35Å; T458-R462 PolarHBondContact O-N 3.38Å |
| 459 | E | 97.2 | Very high | 96.1 | Very high | 79 Ų | 79 | 101 Ų | 101 | 37% | 0.369 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67 | -43.4 | 176.1 | -175.9 | 57 | -161.5 | 0 | 0 | 112 | D455 V456 N461 R462 I463 | D455-E459 WeakPolarHBondContact O-CB 3.4Å; D455-E459 PolarHBondContact O-N 3.39Å; V456-E459 PolarHBondContact O-N 3.44Å; E459-N461 VanDerWaalsContact C-N 3.34Å; E459-N461 PolarHBondContact O-N 2.97Å; E459-R462 WeakPolarHBondContact O-CA 3.43Å; E459-R462 VanDerWaalsContact O-CB 3.31Å; E459-R462 WeakPolarHBondContact O-CB 3.43Å; E459-R462 PolarHBondContact O-N 2.92Å; E459-R462 VanDerWaalsContact O-N 3.09Å; E459-R462 IonicContact OE1-CZ 2.69Å; E459-R462 VanDerWaalsContact OE1-CZ 3.3Å; E459-R462 IonicContact OE1-NE 3.93Å; E459-R462 PolarHBondContact OE1-NE 2.89Å; E459-R462 VanDerWaalsContact OE1-NE 3.16Å; E459-R462 IonicContact OE1-NH2 2.8Å; E459-R462 PolarHBondContact OE1-NH2 3.43Å; E459-R462 IonicContact OE2-CZ 2.87Å; E459-R462 IonicContact OE2-NE 2.75Å; E459-R462 PolarHBondContact OE2-NE 2.86Å; E459-R462 IonicContact OE2-NH2 3.34Å; E459-I463 HydrophobicContact CG-CD1 4.18Å; E459-I463 WeakPolarHBondContact O-CG1 3.47Å; E459-I463 PolarHBondContact O-N 3.48Å |
| 460 | E | 97.2 | Very high | 96.6 | Very high | 112 Ų | 112 | 96.9 Ų | 96.9 | 52% | 0.523 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.5 | -43.5 | 172.9 | -73.5 | -178.2 | 164.3 | 0 | 0 | 111.6 | V456 R462 I463 L464 | V456-E460 HydrophobicContact CG1-CG 4.48Å; V456-E460 WeakPolarHBondContact O-CG 3.39Å; V456-E460 PolarHBondContact O-N 2.87Å; E460-R462 VanDerWaalsContact C-N 3.3Å; E460-R462 PolarHBondContact O-N 3.46Å; E460-I463 PolarHBondContact O-N 3.27Å; E460-L464 WeakPolarHBondContact O-CB 3.43Å; E460-L464 VanDerWaalsContact O-CG 3.29Å; E460-L464 WeakPolarHBondContact O-CG 3.38Å; E460-L464 PolarHBondContact O-N 3.07Å |
| 461 | N | 96.7 | Very high | 96.9 | Very high | 82 Ų | 82 | 97.8 Ų | 97.8 | 44% | 0.439 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.7 | -36.1 | 173.9 | -88.8 | -77.4 | 0 | 0 | 0 | 112.5 | M457 T458 E459 R465 | M457-N461 WeakPolarHBondContact O-CB 3.33Å; M457-N461 PolarHBondContact O-N 3.47Å; M457-N461 PolarHBondContact O-ND2 2.86Å; T458-N461 PolarHBondContact O-N 3.45Å; E459-N461 VanDerWaalsContact C-N 3.34Å; E459-N461 PolarHBondContact O-N 2.97Å; N461-R465 WeakPolarHBondContact O-CB 3.26Å; N461-R465 VanDerWaalsContact O-CG 3.22Å; N461-R465 WeakPolarHBondContact O-CG 3.2Å; N461-R465 PolarHBondContact O-N 3.12Å |
| 462 | R | 98 | Very high | 97.1 | Very high | 130 Ų | 130 | 100.3 Ų | 100.3 | 49% | 0.491 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.4 | -46.6 | 175.2 | -168.4 | -171.1 | 73.1 | 74.6 | 1.2 | 110.7 | T458 E459 E460 R465 Q466 | T458-R462 WeakPolarHBondContact O-CB 3.35Å; T458-R462 PolarHBondContact O-N 3.38Å; E459-R462 WeakPolarHBondContact O-CA 3.43Å; E459-R462 VanDerWaalsContact O-CB 3.31Å; E459-R462 WeakPolarHBondContact O-CB 3.43Å; E459-R462 PolarHBondContact O-N 2.92Å; E459-R462 VanDerWaalsContact O-N 3.09Å; E459-R462 IonicContact OE1-CZ 2.69Å; E459-R462 VanDerWaalsContact OE1-CZ 3.3Å; E459-R462 IonicContact OE1-NE 3.93Å; E459-R462 PolarHBondContact OE1-NE 2.89Å; E459-R462 VanDerWaalsContact OE1-NE 3.16Å; E459-R462 IonicContact OE1-NH2 2.8Å; E459-R462 PolarHBondContact OE1-NH2 3.43Å; E459-R462 IonicContact OE2-CZ 2.87Å; E459-R462 IonicContact OE2-NE 2.75Å; E459-R462 PolarHBondContact OE2-NE 2.86Å; E459-R462 IonicContact OE2-NH2 3.34Å; E460-R462 VanDerWaalsContact C-N 3.3Å; E460-R462 PolarHBondContact O-N 3.46Å; R462-R465 PolarHBondContact O-N 3.37Å; R462-Q466 PolarHBondContact O-N 3.01Å; R462-Q466 VanDerWaalsContact O-N 3.09Å |
| 463 | I | 98 | Very high | 97.3 | Very high | 69 Ų | 69 | 99.9 Ų | 99.9 | 35% | 0.354 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.3 | -48 | 178.2 | -66.2 | 167.5 | 0 | 0 | 0 | 110.6 | E459 E460 R465 Q466 E467 | E459-I463 HydrophobicContact CG-CD1 4.18Å; E459-I463 WeakPolarHBondContact O-CG1 3.47Å; E459-I463 PolarHBondContact O-N 3.48Å; E460-I463 PolarHBondContact O-N 3.27Å; I463-R465 VanDerWaalsContact C-N 3.29Å; I463-R465 PolarHBondContact O-N 3.37Å; I463-Q466 CarbonylContact O-C 3.56Å; I463-Q466 WeakPolarHBondContact O-CA 3.24Å; I463-Q466 WeakPolarHBondContact O-CB 3.38Å; I463-Q466 PolarHBondContact O-N 3.35Å; I463-E467 HydrophobicContact CG2-CG 4.37Å; I463-E467 WeakPolarHBondContact O-CG 3.26Å; I463-E467 PolarHBondContact O-N 3.25Å |
| 464 | L | 98.1 | Very high | 97.5 | Very high | 96 Ų | 96 | 100.5 Ų | 100.5 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.9 | -39.3 | 178 | -74.5 | 171.5 | 0 | 0 | 0 | 112.4 | E460 E467 M468 | E460-L464 WeakPolarHBondContact O-CB 3.43Å; E460-L464 VanDerWaalsContact O-CG 3.29Å; E460-L464 WeakPolarHBondContact O-CG 3.38Å; E460-L464 PolarHBondContact O-N 3.07Å; L464-E467 PolarHBondContact O-N 3Å; L464-M468 WeakPolarHBondContact O-CB 3.31Å; L464-M468 WeakPolarHBondContact O-CG 3.35Å; L464-M468 PolarHBondContact O-N 3.01Å |
| 465 | R | 97.6 | Very high | 97.6 | Very high | 184 Ų | 184 | 101.7 Ų | 101.7 | 69% | 0.694 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63 | -43.2 | 174 | -76.1 | 172.6 | -177.4 | -121.8 | 2.7 | 111.5 | N461 R462 I463 M468 E469 | N461-R465 WeakPolarHBondContact O-CB 3.26Å; N461-R465 VanDerWaalsContact O-CG 3.22Å; N461-R465 WeakPolarHBondContact O-CG 3.2Å; N461-R465 PolarHBondContact O-N 3.12Å; R462-R465 PolarHBondContact O-N 3.37Å; I463-R465 VanDerWaalsContact C-N 3.29Å; I463-R465 PolarHBondContact O-N 3.37Å; R465-M468 PolarHBondContact O-N 3.45Å; R465-E469 WeakPolarHBondContact O-CB 3.42Å; R465-E469 PolarHBondContact O-N 2.9Å |
| 466 | Q | 98.3 | Very high | 97.7 | Very high | 116 Ų | 116 | 101.2 Ų | 101.2 | 54% | 0.542 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 175.9 | -171.1 | 176.5 | 2.3 | 0 | 0 | 111.7 | R462 I463 E469 A470 | R462-Q466 PolarHBondContact O-N 3.01Å; R462-Q466 VanDerWaalsContact O-N 3.09Å; I463-Q466 CarbonylContact O-C 3.56Å; I463-Q466 WeakPolarHBondContact O-CA 3.24Å; I463-Q466 WeakPolarHBondContact O-CB 3.38Å; I463-Q466 PolarHBondContact O-N 3.35Å; Q466-E469 PolarHBondContact O-N 3.5Å; Q466-A470 WeakPolarHBondContact O-CB 3.47Å; Q466-A470 PolarHBondContact O-N 3.2Å |
| 467 | E | 97.8 | Very high | 97.9 | Very high | 114 Ų | 114 | 104.2 Ų | 104.2 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 175.2 | -72 | -172.4 | 161.7 | 0 | 0 | 112.5 | I463 L464 E469 A470 C471 | I463-E467 HydrophobicContact CG2-CG 4.37Å; I463-E467 WeakPolarHBondContact O-CG 3.26Å; I463-E467 PolarHBondContact O-N 3.25Å; L464-E467 PolarHBondContact O-N 3Å; E467-E469 VanDerWaalsContact C-N 3.31Å; E467-E469 PolarHBondContact O-N 2.8Å; E467-A470 PolarHBondContact O-N 3.3Å; E467-C471 WeakPolarHBondContact O-CB 3.45Å; E467-C471 PolarHBondContact O-N 3.28Å; E467-C471 PolarHBondContact O-SG 3.34Å |
| 468 | M | 98.1 | Very high | 97.9 | Very high | 104 Ų | 104 | 104.4 Ų | 104.4 | 51% | 0.512 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 174.1 | -80.2 | -62.4 | -54.1 | 0 | 0 | 111.8 | L464 R465 C471 R472 | L464-M468 WeakPolarHBondContact O-CB 3.31Å; L464-M468 WeakPolarHBondContact O-CG 3.35Å; L464-M468 PolarHBondContact O-N 3.01Å; R465-M468 PolarHBondContact O-N 3.45Å; M468-C471 PolarHBondContact O-N 3.24Å; M468-R472 WeakPolarHBondContact O-CG 3.32Å; M468-R472 PolarHBondContact O-N 2.89Å |
| 469 | E | 97.9 | Very high | 98.1 | Very high | 115 Ų | 115 | 105.7 Ų | 105.7 | 54% | 0.537 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.1 | -43.5 | 176.8 | -158.3 | 148.3 | -125.4 | 0 | 0 | 111.5 | R465 Q466 E467 C471 R472 E473 | R465-E469 WeakPolarHBondContact O-CB 3.42Å; R465-E469 PolarHBondContact O-N 2.9Å; Q466-E469 PolarHBondContact O-N 3.5Å; E467-E469 VanDerWaalsContact C-N 3.31Å; E467-E469 PolarHBondContact O-N 2.8Å; E469-C471 VanDerWaalsContact C-N 3.27Å; E469-C471 PolarHBondContact O-N 3.33Å; E469-R472 WeakPolarHBondContact O-CB 3.49Å; E469-R472 PolarHBondContact O-N 3.09Å; E469-R472 VanDerWaalsContact O-N 3.09Å; E469-E473 PolarHBondContact O-N 3.36Å |
| 470 | A | 97.8 | Very high | 98.1 | Very high | 37 Ų | 37 | 107.9 Ų | 107.9 | 31% | 0.306 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.2 | -36.5 | 172 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q466 E467 E473 K474 | Q466-A470 WeakPolarHBondContact O-CB 3.47Å; Q466-A470 PolarHBondContact O-N 3.2Å; E467-A470 PolarHBondContact O-N 3.3Å; A470-E473 PolarHBondContact O-N 3.03Å; A470-K474 WeakPolarHBondContact O-CG 3.38Å; A470-K474 PolarHBondContact O-N 3.31Å |
| 471 | C | 98.1 | Very high | 98.2 | Very high | 61 Ų | 61 | 107 Ų | 107 | 41% | 0.412 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 173.5 | -72.3 | 0 | 0 | 0 | 0 | 112 | E467 M468 E469 E473 K474 V475 | E467-C471 WeakPolarHBondContact O-CB 3.45Å; E467-C471 PolarHBondContact O-N 3.28Å; E467-C471 PolarHBondContact O-SG 3.34Å; M468-C471 PolarHBondContact O-N 3.24Å; E469-C471 VanDerWaalsContact C-N 3.27Å; E469-C471 PolarHBondContact O-N 3.33Å; C471-E473 VanDerWaalsContact C-N 3.33Å; C471-E473 PolarHBondContact O-N 2.93Å; C471-K474 WeakPolarHBondContact O-CB 3.41Å; C471-K474 PolarHBondContact O-N 2.93Å; C471-V475 WeakPolarHBondContact O-CG2 3.1Å; C471-V475 PolarHBondContact O-N 3.5Å |
| 472 | R | 98.4 | Very high | 98.3 | Very high | 157 Ų | 157 | 108.1 Ų | 108.1 | 59% | 0.592 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.4 | -43 | 174.4 | -73.2 | 176.4 | -179.6 | 136.2 | 0.6 | 111.8 | M468 E469 K474 V475 T476 | M468-R472 WeakPolarHBondContact O-CG 3.32Å; M468-R472 PolarHBondContact O-N 2.89Å; E469-R472 WeakPolarHBondContact O-CB 3.49Å; E469-R472 PolarHBondContact O-N 3.09Å; E469-R472 VanDerWaalsContact O-N 3.09Å; R472-K474 PolarHBondContact O-N 3.09Å; R472-V475 PolarHBondContact O-N 3.21Å; R472-T476 PolarHBondContact O-N 3.28Å; R472-T476 PolarHBondContact O-OG1 2.81Å |
| 473 | E | 98.5 | Very high | 98.3 | Very high | 112 Ų | 112 | 104.4 Ų | 104.4 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.6 | -38.6 | 175.9 | -68.9 | -179 | 175.9 | 0 | 0 | 113 | E469 A470 C471 V475 T476 R477 | E469-E473 PolarHBondContact O-N 3.36Å; A470-E473 PolarHBondContact O-N 3.03Å; C471-E473 VanDerWaalsContact C-N 3.33Å; C471-E473 PolarHBondContact O-N 2.93Å; E473-V475 VanDerWaalsContact C-N 3.34Å; E473-T476 PolarHBondContact O-N 3.25Å; E473-R477 WeakPolarHBondContact O-CG 3.41Å; E473-R477 PolarHBondContact O-N 3.27Å |
| 474 | K | 98.6 | Very high | 98.4 | Very high | 120 Ų | 120 | 106.4 Ų | 106.4 | 52% | 0.522 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 174.2 | -74 | 171.9 | -175.3 | 174.4 | 0 | 111.2 | A470 C471 R472 R477 L478 | A470-K474 WeakPolarHBondContact O-CG 3.38Å; A470-K474 PolarHBondContact O-N 3.31Å; C471-K474 WeakPolarHBondContact O-CB 3.41Å; C471-K474 PolarHBondContact O-N 2.93Å; R472-K474 PolarHBondContact O-N 3.09Å; K474-R477 PolarHBondContact O-N 2.88Å; K474-L478 WeakPolarHBondContact O-CB 3.48Å; K474-L478 WeakPolarHBondContact O-CG 3.37Å; K474-L478 PolarHBondContact O-N 3.33Å |
| 475 | V | 98.8 | Very high | 98.4 | Very high | 97 Ų | 97 | 107.2 Ų | 107.2 | 59% | 0.588 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.8 | -46.4 | 175.7 | 172 | 0 | 0 | 0 | 0 | 111.1 | C471 R472 E473 R477 L478 H479 | C471-V475 WeakPolarHBondContact O-CG2 3.1Å; C471-V475 PolarHBondContact O-N 3.5Å; R472-V475 PolarHBondContact O-N 3.21Å; E473-V475 VanDerWaalsContact C-N 3.34Å; V475-R477 VanDerWaalsContact C-N 3.3Å; V475-R477 PolarHBondContact O-N 2.9Å; V475-L478 PolarHBondContact O-N 3.35Å; V475-H479 WeakPolarHBondContact O-CB 3.46Å; V475-H479 PolarHBondContact O-N 3.29Å |
| 476 | T | 98.6 | Very high | 98.4 | Very high | 79 Ų | 79 | 104.7 Ų | 104.7 | 49% | 0.485 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.7 | -40.1 | 176.9 | -58.7 | 0 | 0 | 0 | 0 | 112 | R472 E473 K480 | R472-T476 PolarHBondContact O-N 3.28Å; R472-T476 PolarHBondContact O-OG1 2.81Å; E473-T476 PolarHBondContact O-N 3.25Å; T476-K480 WeakPolarHBondContact O-CG 3.23Å; T476-K480 PolarHBondContact O-N 3.5Å; T476-K480 VanDerWaalsContact O-N 3.15Å |
| 477 | R | 98.6 | Very high | 98.5 | Very high | 140 Ų | 140 | 104.6 Ų | 104.6 | 53% | 0.528 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.9 | -43.9 | 175.4 | -77.7 | -174.9 | -77.3 | -171.4 | -8.9 | 112.4 | E473 K474 V475 H479 K480 L481 | E473-R477 WeakPolarHBondContact O-CG 3.41Å; E473-R477 PolarHBondContact O-N 3.27Å; K474-R477 PolarHBondContact O-N 2.88Å; V475-R477 VanDerWaalsContact C-N 3.3Å; V475-R477 PolarHBondContact O-N 2.9Å; R477-H479 VanDerWaalsContact C-N 3.31Å; R477-H479 PolarHBondContact O-N 3.49Å; R477-K480 PolarHBondContact O-N 3.34Å; R477-L481 WeakPolarHBondContact O-CG 3.37Å; R477-L481 PolarHBondContact O-N 3.37Å |
| 478 | L | 98.6 | Very high | 98.5 | Very high | 103 Ų | 103 | 104 Ų | 104 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.4 | -45.2 | 175.1 | -80.1 | 169 | 0 | 0 | 0 | 111.1 | K474 V475 K480 L481 E482 | K474-L478 WeakPolarHBondContact O-CB 3.48Å; K474-L478 WeakPolarHBondContact O-CG 3.37Å; K474-L478 PolarHBondContact O-N 3.33Å; V475-L478 PolarHBondContact O-N 3.35Å; L478-K480 VanDerWaalsContact C-N 3.32Å; L478-K480 PolarHBondContact O-N 3.08Å; L478-L481 PolarHBondContact O-N 3.49Å; L478-L481 VanDerWaalsContact O-N 3.15Å; L478-E482 WeakPolarHBondContact O-CG 3.33Å; L478-E482 PolarHBondContact O-N 3.5Å |
| 479 | H | 98.8 | Very high | 98.6 | Very high | 113 Ų | 113 | 102 Ų | 102 | 52% | 0.523 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.2 | -41 | 177.7 | -172.2 | 59.2 | 0 | 0 | 0 | 112.5 | V475 R477 E482 T483 | V475-H479 WeakPolarHBondContact O-CB 3.46Å; V475-H479 PolarHBondContact O-N 3.29Å; R477-H479 VanDerWaalsContact C-N 3.31Å; R477-H479 PolarHBondContact O-N 3.49Å; H479-E482 IonicContact ND1-OE2 3.22Å; H479-E482 WeakPolarHBondContact O-CB 3.14Å; H479-E482 PolarHBondContact O-N 3.17Å; H479-T483 WeakPolarHBondContact O-CG2 3.47Å; H479-T483 PolarHBondContact O-N 3.45Å; H479-T483 PolarHBondContact O-OG1 3.07Å |
| 480 | K | 98.7 | Very high | 98.6 | Very high | 124 Ų | 124 | 102 Ų | 102 | 54% | 0.539 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 173.8 | -71.7 | 178 | -179.8 | -175.2 | 0 | 111.9 | T476 R477 L478 E482 T483 E484 | T476-K480 WeakPolarHBondContact O-CG 3.23Å; T476-K480 PolarHBondContact O-N 3.5Å; T476-K480 VanDerWaalsContact O-N 3.15Å; R477-K480 PolarHBondContact O-N 3.34Å; L478-K480 VanDerWaalsContact C-N 3.32Å; L478-K480 PolarHBondContact O-N 3.08Å; K480-E482 VanDerWaalsContact C-N 3.31Å; K480-E482 PolarHBondContact O-N 3.47Å; K480-T483 WeakPolarHBondContact CA-OG1 3.23Å; K480-T483 PolarHBondContact O-N 3.48Å; K480-T483 PolarHBondContact O-OG1 3.37Å; K480-E484 WeakPolarHBondContact O-CG 3.31Å; K480-E484 PolarHBondContact O-N 2.74Å |
| 481 | L | 98.7 | Very high | 98.6 | Very high | 94 Ų | 94 | 103 Ų | 103 | 49% | 0.492 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.6 | -39.7 | 176.8 | -66.9 | 173.8 | 0 | 0 | 0 | 111.9 | R477 L478 T483 E484 I485 | R477-L481 WeakPolarHBondContact O-CG 3.37Å; R477-L481 PolarHBondContact O-N 3.37Å; L478-L481 PolarHBondContact O-N 3.49Å; L478-L481 VanDerWaalsContact O-N 3.15Å; L481-T483 VanDerWaalsContact C-N 3.34Å; L481-T483 PolarHBondContact O-N 2.89Å; L481-E484 PolarHBondContact O-N 3.26Å; L481-I485 VanDerWaalsContact O-CG1 3.27Å; L481-I485 WeakPolarHBondContact O-CG1 3.26Å; L481-I485 PolarHBondContact O-N 3.32Å |
| 482 | E | 98.6 | Very high | 98.7 | Very high | 106 Ų | 106 | 107.6 Ų | 107.6 | 50% | 0.495 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 174.3 | -73.9 | 170.7 | 171.7 | 0 | 0 | 111.8 | L478 H479 K480 I485 Q486 | L478-E482 WeakPolarHBondContact O-CG 3.33Å; L478-E482 PolarHBondContact O-N 3.5Å; H479-E482 IonicContact ND1-OE2 3.22Å; H479-E482 WeakPolarHBondContact O-CB 3.14Å; H479-E482 PolarHBondContact O-N 3.17Å; K480-E482 VanDerWaalsContact C-N 3.31Å; K480-E482 PolarHBondContact O-N 3.47Å; E482-I485 PolarHBondContact O-N 2.83Å; E482-Q486 WeakPolarHBondContact O-CG 3.45Å; E482-Q486 PolarHBondContact O-N 2.82Å; E482-Q486 VanDerWaalsContact O-N 3.07Å |
| 483 | T | 98.6 | Very high | 98.7 | Very high | 52 Ų | 52 | 104.5 Ų | 104.5 | 32% | 0.319 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.1 | -39.2 | 175.8 | 57.8 | 0 | 0 | 0 | 0 | 112.5 | H479 K480 L481 Q486 L487 | H479-T483 WeakPolarHBondContact O-CG2 3.47Å; H479-T483 PolarHBondContact O-N 3.45Å; H479-T483 PolarHBondContact O-OG1 3.07Å; K480-T483 WeakPolarHBondContact CA-OG1 3.23Å; K480-T483 PolarHBondContact O-N 3.48Å; K480-T483 PolarHBondContact O-OG1 3.37Å; L481-T483 VanDerWaalsContact C-N 3.34Å; L481-T483 PolarHBondContact O-N 2.89Å; T483-Q486 PolarHBondContact O-N 2.95Å; T483-L487 WeakPolarHBondContact O-CG 3.44Å; T483-L487 PolarHBondContact O-N 2.85Å |
| 484 | E | 98.6 | Very high | 98.7 | Very high | 111 Ų | 111 | 103.1 Ų | 103.1 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65 | -41.7 | 176.2 | -74.1 | 177.5 | -162.4 | 0 | 0 | 111.6 | K480 L481 Q486 L487 V488 | K480-E484 WeakPolarHBondContact O-CG 3.31Å; K480-E484 PolarHBondContact O-N 2.74Å; L481-E484 PolarHBondContact O-N 3.26Å; E484-Q486 VanDerWaalsContact C-N 3.31Å; E484-Q486 PolarHBondContact O-N 3.34Å; E484-L487 PolarHBondContact O-N 3.5Å; E484-V488 WeakPolarHBondContact O-CB 3.41Å; E484-V488 VanDerWaalsContact O-CG2 3.32Å; E484-V488 WeakPolarHBondContact O-CG2 3.44Å; E484-V488 PolarHBondContact O-N 3.45Å |
| 485 | I | 98.8 | Very high | 98.7 | Very high | 112 Ų | 112 | 102.5 Ų | 102.5 | 57% | 0.574 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.1 | -42.9 | 174.9 | -70.9 | 165.4 | 0 | 0 | 0 | 110.7 | L481 E482 V488 S489 | L481-I485 VanDerWaalsContact O-CG1 3.27Å; L481-I485 WeakPolarHBondContact O-CG1 3.26Å; L481-I485 PolarHBondContact O-N 3.32Å; E482-I485 PolarHBondContact O-N 2.83Å; I485-V488 PolarHBondContact O-N 2.88Å; I485-S489 WeakPolarHBondContact O-CB 3.44Å; I485-S489 PolarHBondContact O-N 3.5Å; I485-S489 PolarHBondContact O-OG 3.47Å |
| 486 | Q | 98.8 | Very high | 98.7 | Very high | 132 Ų | 132 | 99.8 Ų | 99.8 | 62% | 0.617 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.1 | -46.6 | 177 | -74.4 | 168.8 | 11.3 | 0 | 0 | 111.6 | E482 T483 E484 V488 S489 E490 | E482-Q486 WeakPolarHBondContact O-CG 3.45Å; E482-Q486 PolarHBondContact O-N 2.82Å; E482-Q486 VanDerWaalsContact O-N 3.07Å; T483-Q486 PolarHBondContact O-N 2.95Å; E484-Q486 VanDerWaalsContact C-N 3.31Å; E484-Q486 PolarHBondContact O-N 3.34Å; Q486-V488 PolarHBondContact O-N 3.08Å; Q486-S489 PolarHBondContact O-N 3.3Å; Q486-E490 PolarHBondContact O-N 3.37Å |
| 487 | L | 98.8 | Very high | 98.7 | Very high | 113 Ų | 113 | 101.5 Ų | 101.5 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.9 | -43.4 | 177.9 | -72.7 | 171.7 | 0 | 0 | 0 | 112.2 | T483 E484 S489 E490 A491 | T483-L487 WeakPolarHBondContact O-CG 3.44Å; T483-L487 PolarHBondContact O-N 2.85Å; E484-L487 PolarHBondContact O-N 3.5Å; L487-S489 VanDerWaalsContact C-N 3.33Å; L487-E490 PolarHBondContact O-N 3.3Å; L487-A491 WeakPolarHBondContact O-CB 3.26Å; L487-A491 PolarHBondContact O-N 3.47Å |
| 488 | V | 98.8 | Very high | 98.7 | Very high | 102 Ų | 102 | 97.2 Ų | 97.2 | 62% | 0.618 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.6 | -41.3 | 176 | 171.2 | 0 | 0 | 0 | 0 | 111 | E484 I485 Q486 A491 Y492 | E484-V488 WeakPolarHBondContact O-CB 3.41Å; E484-V488 VanDerWaalsContact O-CG2 3.32Å; E484-V488 WeakPolarHBondContact O-CG2 3.44Å; E484-V488 PolarHBondContact O-N 3.45Å; I485-V488 PolarHBondContact O-N 2.88Å; Q486-V488 PolarHBondContact O-N 3.08Å; V488-A491 PolarHBondContact O-N 3.46Å; V488-Y492 WeakPolarHBondContact O-CB 3.38Å; V488-Y492 PolarHBondContact O-N 2.88Å |
| 489 | S | 98.7 | Very high | 98.7 | Very high | 61 Ų | 61 | 94.7 Ų | 94.7 | 43% | 0.427 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.3 | -42.6 | 178 | -57.3 | 0 | 0 | 0 | 0 | 111.5 | I485 Q486 L487 Y492 E493 | I485-S489 WeakPolarHBondContact O-CB 3.44Å; I485-S489 PolarHBondContact O-N 3.5Å; I485-S489 PolarHBondContact O-OG 3.47Å; Q486-S489 PolarHBondContact O-N 3.3Å; L487-S489 VanDerWaalsContact C-N 3.33Å; S489-Y492 PolarHBondContact O-N 3.2Å; S489-E493 WeakPolarHBondContact O-CG 3.46Å; S489-E493 PolarHBondContact O-N 2.83Å |
| 490 | E | 98.7 | Very high | 98.7 | Very high | 115 Ų | 115 | 92.8 Ų | 92.8 | 54% | 0.537 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 175.1 | -174.3 | -176.5 | 171.7 | 0 | 0 | 111.6 | Q486 L487 Y492 E493 N494 | Q486-E490 PolarHBondContact O-N 3.37Å; L487-E490 PolarHBondContact O-N 3.3Å; E490-Y492 VanDerWaalsContact C-N 3.3Å; E490-Y492 PolarHBondContact O-N 2.82Å; E490-E493 PolarHBondContact O-N 3.25Å; E490-N494 WeakPolarHBondContact O-CB 3.36Å; E490-N494 VanDerWaalsContact O-CG 3.3Å; E490-N494 PolarHBondContact O-N 3.41Å; E490-N494 PolarHBondContact O-ND2 2.73Å |
| 491 | A | 98.8 | Very high | 98.7 | Very high | 60 Ų | 60 | 94.5 Ų | 94.5 | 50% | 0.496 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.5 | -41.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L487 V488 N494 L495 | L487-A491 WeakPolarHBondContact O-CB 3.26Å; L487-A491 PolarHBondContact O-N 3.47Å; V488-A491 PolarHBondContact O-N 3.46Å; A491-N494 PolarHBondContact O-N 3.31Å; A491-L495 WeakPolarHBondContact O-CB 3.36Å; A491-L495 PolarHBondContact O-N 2.98Å |
| 492 | Y | 98.8 | Very high | 98.7 | Very high | 156 Ų | 156 | 96.7 Ų | 96.7 | 61% | 0.612 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.1 | -49.2 | 175.3 | 177 | -92.1 | 0 | 0 | 0 | 111.9 | V488 S489 E490 N494 L495 A496 | V488-Y492 WeakPolarHBondContact O-CB 3.38Å; V488-Y492 PolarHBondContact O-N 2.88Å; S489-Y492 PolarHBondContact O-N 3.2Å; E490-Y492 VanDerWaalsContact C-N 3.3Å; E490-Y492 PolarHBondContact O-N 2.82Å; Y492-N494 VanDerWaalsContact C-N 3.32Å; Y492-N494 PolarHBondContact O-N 3.32Å; Y492-L495 PolarHBondContact O-N 3.06Å; Y492-A496 WeakPolarHBondContact O-CB 3.35Å; Y492-A496 PolarHBondContact O-N 3.2Å |
| 493 | E | 98.6 | Very high | 98.7 | Very high | 92 Ų | 92 | 97.8 Ų | 97.8 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 178.1 | -79.1 | -61.8 | 124.8 | 0 | 0 | 111.9 | S489 E490 A496 K497 | S489-E493 WeakPolarHBondContact O-CG 3.46Å; S489-E493 PolarHBondContact O-N 2.83Å; E490-E493 PolarHBondContact O-N 3.25Å; E493-A496 PolarHBondContact O-N 3.39Å; E493-K497 WeakPolarHBondContact O-CB 3.46Å; E493-K497 VanDerWaalsContact O-CG 3.22Å; E493-K497 WeakPolarHBondContact O-CG 3.26Å; E493-K497 PolarHBondContact O-N 2.83Å |
| 494 | N | 98.7 | Very high | 98.7 | Very high | 83 Ų | 83 | 97.9 Ų | 97.9 | 44% | 0.444 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65 | -41.6 | 176.2 | -74 | -27.8 | 0 | 0 | 0 | 111.7 | E490 A491 Y492 K497 S498 | E490-N494 WeakPolarHBondContact O-CB 3.36Å; E490-N494 VanDerWaalsContact O-CG 3.3Å; E490-N494 PolarHBondContact O-N 3.41Å; E490-N494 PolarHBondContact O-ND2 2.73Å; A491-N494 PolarHBondContact O-N 3.31Å; Y492-N494 VanDerWaalsContact C-N 3.32Å; Y492-N494 PolarHBondContact O-N 3.32Å; N494-K497 PolarHBondContact O-N 2.87Å; N494-S498 WeakPolarHBondContact O-CB 3.5Å; N494-S498 PolarHBondContact O-N 3.16Å; N494-S498 PolarHBondContact O-OG 2.88Å |
| 495 | L | 98.8 | Very high | 98.7 | Very high | 107 Ų | 107 | 97.8 Ų | 97.8 | 56% | 0.56 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63 | -47.4 | 175 | -178.7 | 59.9 | 0 | 0 | 0 | 111.1 | A491 Y492 K497 S498 S499 | A491-L495 WeakPolarHBondContact O-CB 3.36Å; A491-L495 PolarHBondContact O-N 2.98Å; Y492-L495 PolarHBondContact O-N 3.06Å; L495-K497 PolarHBondContact O-N 2.92Å; L495-S498 PolarHBondContact O-N 3.37Å; L495-S498 PolarHBondContact O-OG 3.48Å; L495-S499 WeakPolarHBondContact O-CB 3.36Å; L495-S499 PolarHBondContact O-N 3.49Å |
| 496 | A | 98.8 | Very high | 98.7 | Very high | 41 Ų | 41 | 98 Ų | 98 | 34% | 0.339 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.1 | -46.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y492 E493 S499 S500 | Y492-A496 WeakPolarHBondContact O-CB 3.35Å; Y492-A496 PolarHBondContact O-N 3.2Å; E493-A496 PolarHBondContact O-N 3.39Å; A496-S499 WeakPolarHBondContact O-CB 2.94Å; A496-S499 PolarHBondContact O-N 3.23Å; A496-S500 PolarHBondContact O-N 2.75Å |
| 497 | K | 98.8 | Very high | 98.7 | Very high | 114 Ų | 114 | 99.1 Ų | 99.1 | 50% | 0.496 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.1 | -45.2 | 175 | -72.4 | 167.5 | -171 | 167.1 | 0 | 112.1 | E493 N494 L495 S499 S500 K501 | E493-K497 WeakPolarHBondContact O-CB 3.46Å; E493-K497 VanDerWaalsContact O-CG 3.22Å; E493-K497 WeakPolarHBondContact O-CG 3.26Å; E493-K497 PolarHBondContact O-N 2.83Å; N494-K497 PolarHBondContact O-N 2.87Å; L495-K497 PolarHBondContact O-N 2.92Å; K497-S499 VanDerWaalsContact C-N 3.3Å; K497-S499 PolarHBondContact O-N 2.87Å; K497-S500 PolarHBondContact O-N 3.49Å; K497-K501 WeakPolarHBondContact O-CG 3.35Å; K497-K501 PolarHBondContact O-N 3.18Å; K497-K501 VanDerWaalsContact O-N 3.08Å |
| 498 | S | 98.7 | Very high | 98.7 | Very high | 51 Ų | 51 | 97.1 Ų | 97.1 | 36% | 0.357 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65 | -36.2 | 177.8 | 78.7 | 0 | 0 | 0 | 0 | 112 | N494 L495 K501 R502 | N494-S498 WeakPolarHBondContact O-CB 3.5Å; N494-S498 PolarHBondContact O-N 3.16Å; N494-S498 PolarHBondContact O-OG 2.88Å; L495-S498 PolarHBondContact O-N 3.37Å; L495-S498 PolarHBondContact O-OG 3.48Å; S498-K501 PolarHBondContact O-N 2.88Å; S498-R502 PolarHBondContact O-N 2.92Å |
| 499 | S | 98.6 | Very high | 98.7 | Very high | 49 Ų | 49 | 97.5 Ų | 97.5 | 34% | 0.343 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.8 | -46.7 | 176.4 | -165.1 | 0 | 0 | 0 | 0 | 111.2 | L495 A496 K497 K501 R502 E503 | L495-S499 WeakPolarHBondContact O-CB 3.36Å; L495-S499 PolarHBondContact O-N 3.49Å; A496-S499 WeakPolarHBondContact O-CB 2.94Å; A496-S499 PolarHBondContact O-N 3.23Å; K497-S499 VanDerWaalsContact C-N 3.3Å; K497-S499 PolarHBondContact O-N 2.87Å; S499-K501 VanDerWaalsContact C-N 3.33Å; S499-K501 PolarHBondContact O-N 3.41Å; S499-R502 WeakPolarHBondContact O-CB 3.42Å; S499-R502 PolarHBondContact O-N 3.35Å; S499-R502 VanDerWaalsContact O-N 3.12Å; S499-E503 PolarHBondContact O-N 3.49Å |
| 500 | S | 98.7 | Very high | 98.7 | Very high | 73 Ų | 73 | 102 Ų | 102 | 51% | 0.51 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 175.9 | -178.4 | 0 | 0 | 0 | 0 | 112.3 | A496 K497 R502 E503 A504 | A496-S500 PolarHBondContact O-N 2.75Å; K497-S500 PolarHBondContact O-N 3.49Å; S500-R502 PolarHBondContact O-N 2.92Å; S500-E503 PolarHBondContact O-N 2.93Å; S500-A504 WeakPolarHBondContact O-CB 3.44Å; S500-A504 PolarHBondContact O-N 3.34Å |
| 501 | K | 98.8 | Very high | 98.7 | Very high | 160 Ų | 160 | 99.5 Ų | 99.5 | 70% | 0.696 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.5 | -42.8 | 173.6 | -72.2 | 175.8 | -177 | 178.5 | 0 | 112.1 | K497 S498 S499 A504 L505 | K497-K501 WeakPolarHBondContact O-CG 3.35Å; K497-K501 PolarHBondContact O-N 3.18Å; K497-K501 VanDerWaalsContact O-N 3.08Å; S498-K501 PolarHBondContact O-N 2.88Å; S499-K501 VanDerWaalsContact C-N 3.33Å; S499-K501 PolarHBondContact O-N 3.41Å; K501-A504 PolarHBondContact O-N 2.69Å; K501-L505 PolarHBondContact O-N 3.36Å; K501-L505 VanDerWaalsContact O-N 3.07Å |
| 502 | R | 98.8 | Very high | 98.7 | Very high | 140 Ų | 140 | 103.7 Ų | 103.7 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 177.2 | -168.2 | -169.3 | -52.8 | 116.4 | 3.4 | 111 | S498 S499 S500 A504 L505 E506 | S498-R502 PolarHBondContact O-N 2.92Å; S499-R502 WeakPolarHBondContact O-CB 3.42Å; S499-R502 PolarHBondContact O-N 3.35Å; S499-R502 VanDerWaalsContact O-N 3.12Å; S500-R502 PolarHBondContact O-N 2.92Å; R502-A504 PolarHBondContact O-N 2.95Å; R502-L505 PolarHBondContact O-N 3Å; R502-E506 WeakPolarHBondContact O-CB 3.43Å; R502-E506 PolarHBondContact O-N 3.48Å |
| 503 | E | 98.5 | Very high | 98.7 | Very high | 130 Ų | 130 | 101.3 Ų | 101.3 | 61% | 0.607 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.6 | -42.6 | 178.5 | -171.2 | -174.5 | 166.9 | 0 | 0 | 111.9 | S499 S500 L505 E506 K507 | S499-E503 PolarHBondContact O-N 3.49Å; S500-E503 PolarHBondContact O-N 2.93Å; E503-L505 PolarHBondContact O-N 2.97Å; E503-E506 PolarHBondContact O-N 2.77Å; E503-K507 VanDerWaalsContact O-CB 3.26Å; E503-K507 WeakPolarHBondContact O-CB 3.19Å; E503-K507 PolarHBondContact O-N 2.89Å |
| 504 | A | 98.8 | Very high | 98.7 | Very high | 54 Ų | 54 | 101 Ų | 101 | 45% | 0.446 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | S500 K501 R502 T508 | S500-A504 WeakPolarHBondContact O-CB 3.44Å; S500-A504 PolarHBondContact O-N 3.34Å; K501-A504 PolarHBondContact O-N 2.69Å; R502-A504 PolarHBondContact O-N 2.95Å; A504-T508 PolarHBondContact O-N 2.93Å; A504-T508 PolarHBondContact O-OG1 3.36Å |
| 505 | L | 98.8 | Very high | 98.7 | Very high | 108 Ų | 108 | 100.1 Ų | 100.1 | 57% | 0.565 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.2 | -48 | 175.8 | -179.5 | 65.5 | 0 | 0 | 0 | 111.1 | K501 R502 E503 K507 T508 M509 | K501-L505 PolarHBondContact O-N 3.36Å; K501-L505 VanDerWaalsContact O-N 3.07Å; R502-L505 PolarHBondContact O-N 3Å; E503-L505 PolarHBondContact O-N 2.97Å; L505-K507 VanDerWaalsContact C-N 3.32Å; L505-K507 PolarHBondContact O-N 3.17Å; L505-T508 WeakPolarHBondContact O-CB 3.35Å; L505-T508 PolarHBondContact O-N 2.97Å; L505-T508 VanDerWaalsContact O-N 3.09Å; L505-M509 HydrophobicContact CD1-CG 4.44Å; L505-M509 HydrophobicContact CD1-SD 4.44Å; L505-M509 HydrophobicContact CG-CG 4.49Å; L505-M509 HydrophobicContact CG-SD 4.09Å; L505-M509 WeakPolarHBondContact O-CG 3.48Å; L505-M509 PolarHBondContact O-N 3.21Å |
| 506 | E | 98.7 | Very high | 98.7 | Very high | 116 Ų | 116 | 100.5 Ų | 100.5 | 54% | 0.542 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.3 | -47.3 | 177.6 | -174.6 | -175.2 | 155.2 | 0 | 0 | 110.8 | R502 E503 T508 M509 R510 | R502-E506 WeakPolarHBondContact O-CB 3.43Å; R502-E506 PolarHBondContact O-N 3.48Å; E503-E506 PolarHBondContact O-N 2.77Å; E506-T508 VanDerWaalsContact C-N 3.27Å; E506-T508 PolarHBondContact O-N 3.29Å; E506-M509 PolarHBondContact O-N 2.92Å; E506-R510 VanDerWaalsContact O-CB 3.24Å; E506-R510 WeakPolarHBondContact O-CB 3.4Å; E506-R510 PolarHBondContact O-N 2.84Å |
| 507 | K | 98.8 | Very high | 98.7 | Very high | 156 Ų | 156 | 103.2 Ų | 103.2 | 68% | 0.678 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -57.1 | -41.4 | 175.5 | -174.9 | 174.9 | -176.9 | 174.5 | 0 | 111.9 | E503 L505 S511 | E503-K507 VanDerWaalsContact O-CB 3.26Å; E503-K507 WeakPolarHBondContact O-CB 3.19Å; E503-K507 PolarHBondContact O-N 2.89Å; L505-K507 VanDerWaalsContact C-N 3.32Å; L505-K507 PolarHBondContact O-N 3.17Å; K507-S511 WeakPolarHBondContact O-CB 3.37Å; K507-S511 PolarHBondContact O-N 3.4Å |
| 508 | T | 98.8 | Very high | 98.7 | Very high | 72 Ų | 72 | 104 Ų | 104 | 44% | 0.442 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.6 | -44.6 | 177.7 | -58.2 | 0 | 0 | 0 | 0 | 111.7 | A504 L505 E506 S511 K512 | A504-T508 PolarHBondContact O-N 2.93Å; A504-T508 PolarHBondContact O-OG1 3.36Å; L505-T508 WeakPolarHBondContact O-CB 3.35Å; L505-T508 PolarHBondContact O-N 2.97Å; L505-T508 VanDerWaalsContact O-N 3.09Å; E506-T508 VanDerWaalsContact C-N 3.27Å; E506-T508 PolarHBondContact O-N 3.29Å; T508-S511 PolarHBondContact O-N 2.87Å; T508-K512 WeakPolarHBondContact O-CG 3.34Å; T508-K512 PolarHBondContact O-N 2.65Å |
| 509 | M | 98.8 | Very high | 98.7 | Very high | 110 Ų | 110 | 109.5 Ų | 109.5 | 54% | 0.542 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.1 | -47.3 | 177.5 | -71.7 | 177.7 | 62.2 | 0 | 0 | 111.2 | L505 E506 S511 K512 L513 | L505-M509 HydrophobicContact CD1-CG 4.44Å; L505-M509 HydrophobicContact CD1-SD 4.44Å; L505-M509 HydrophobicContact CG-CG 4.49Å; L505-M509 HydrophobicContact CG-SD 4.09Å; L505-M509 WeakPolarHBondContact O-CG 3.48Å; L505-M509 PolarHBondContact O-N 3.21Å; E506-M509 PolarHBondContact O-N 2.92Å; M509-S511 PolarHBondContact O-N 3.04Å; M509-K512 PolarHBondContact O-N 2.75Å; M509-L513 WeakPolarHBondContact O-CG 3.3Å; M509-L513 PolarHBondContact O-N 3.38Å |
| 510 | R | 98.7 | Very high | 98.7 | Very high | 156 Ų | 156 | 111.7 Ų | 111.7 | 59% | 0.589 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -58.8 | -48.2 | 175.8 | -177.2 | 175.4 | 179.3 | 149.2 | 3.3 | 111.5 | E506 K512 L513 E514 | E506-R510 VanDerWaalsContact O-CB 3.24Å; E506-R510 WeakPolarHBondContact O-CB 3.4Å; E506-R510 PolarHBondContact O-N 2.84Å; R510-K512 VanDerWaalsContact C-N 3.31Å; R510-K512 PolarHBondContact O-N 3.43Å; R510-L513 PolarHBondContact O-N 3.47Å; R510-E514 HydrophobicContact CG-CG 4.35Å; R510-E514 VanDerWaalsContact CG-OE1 3.31Å; R510-E514 WeakPolarHBondContact CG-OE1 3.34Å; R510-E514 IonicContact CZ-OE1 2.8Å; R510-E514 IonicContact NE-OE1 3.58Å; R510-E514 PolarHBondContact NE-OE1 3.43Å; R510-E514 IonicContact NH2-OE1 3.67Å; R510-E514 WeakPolarHBondContact O-CB 2.99Å; R510-E514 VanDerWaalsContact O-CG 3.32Å; R510-E514 WeakPolarHBondContact O-CG 3.4Å; R510-E514 PolarHBondContact O-N 2.87Å |
| 511 | S | 98.8 | Very high | 98.7 | Very high | 62 Ų | 62 | 114.2 Ų | 114.2 | 43% | 0.434 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.1 | -40.6 | 177.5 | -175.6 | 0 | 0 | 0 | 0 | 112.6 | K507 T508 M509 L515 | K507-S511 WeakPolarHBondContact O-CB 3.37Å; K507-S511 PolarHBondContact O-N 3.4Å; T508-S511 PolarHBondContact O-N 2.87Å; M509-S511 PolarHBondContact O-N 3.04Å; S511-L515 WeakPolarHBondContact O-CB 3.45Å; S511-L515 PolarHBondContact O-N 2.76Å |
| 512 | K | 98.8 | Very high | 98.7 | Very high | 148 Ų | 148 | 109.6 Ų | 109.6 | 64% | 0.643 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.4 | -45.7 | 175.9 | -77.4 | -179.3 | 176.7 | -176.6 | 0 | 112.2 | T508 M509 R510 L515 Q516 | T508-K512 WeakPolarHBondContact O-CG 3.34Å; T508-K512 PolarHBondContact O-N 2.65Å; M509-K512 PolarHBondContact O-N 2.75Å; R510-K512 VanDerWaalsContact C-N 3.31Å; R510-K512 PolarHBondContact O-N 3.43Å; K512-L515 PolarHBondContact O-N 3.47Å; K512-Q516 PolarHBondContact O-N 2.76Å |
| 513 | L | 98.8 | Very high | 98.7 | Very high | 105 Ų | 105 | 108.3 Ų | 108.3 | 55% | 0.55 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 177.8 | -69.3 | 173.5 | 0 | 0 | 0 | 111.5 | M509 R510 L515 Q516 V517 | M509-L513 WeakPolarHBondContact O-CG 3.3Å; M509-L513 PolarHBondContact O-N 3.38Å; R510-L513 PolarHBondContact O-N 3.47Å; L513-L515 VanDerWaalsContact C-N 3.26Å; L513-L515 PolarHBondContact O-N 3.39Å; L513-Q516 WeakPolarHBondContact O-CB 3.34Å; L513-Q516 PolarHBondContact O-N 2.89Å; L513-Q516 VanDerWaalsContact O-N 3.09Å; L513-V517 WeakPolarHBondContact O-CG2 3.34Å; L513-V517 PolarHBondContact O-N 3.1Å |
| 514 | E | 98.6 | Very high | 98.7 | Very high | 86 Ų | 86 | 105.9 Ų | 105.9 | 40% | 0.402 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.3 | -37.5 | 176.6 | -74 | 172.9 | -178.9 | 0 | 0 | 112.2 | R510 R518 | R510-E514 HydrophobicContact CG-CG 4.35Å; R510-E514 VanDerWaalsContact CG-OE1 3.31Å; R510-E514 WeakPolarHBondContact CG-OE1 3.34Å; R510-E514 IonicContact CZ-OE1 2.8Å; R510-E514 IonicContact NE-OE1 3.58Å; R510-E514 PolarHBondContact NE-OE1 3.43Å; R510-E514 IonicContact NH2-OE1 3.67Å; R510-E514 WeakPolarHBondContact O-CB 2.99Å; R510-E514 VanDerWaalsContact O-CG 3.32Å; R510-E514 WeakPolarHBondContact O-CG 3.4Å; R510-E514 PolarHBondContact O-N 2.87Å; E514-R518 PolarHBondContact O-N 3.04Å; E514-R518 VanDerWaalsContact O-N 3.09Å; E514-R518 PolarHBondContact O-NE 3.26Å |
| 515 | L | 98.7 | Very high | 98.7 | Very high | 64 Ų | 64 | 108.4 Ų | 108.4 | 34% | 0.335 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.4 | -39.6 | 174.8 | -174.4 | 65.4 | 0 | 0 | 0 | 111.9 | S511 K512 L513 R518 R519 | S511-L515 WeakPolarHBondContact O-CB 3.45Å; S511-L515 PolarHBondContact O-N 2.76Å; K512-L515 PolarHBondContact O-N 3.47Å; L513-L515 VanDerWaalsContact C-N 3.26Å; L513-L515 PolarHBondContact O-N 3.39Å; L515-R518 PolarHBondContact O-N 3.29Å; L515-R519 WeakPolarHBondContact O-CG 3.49Å; L515-R519 PolarHBondContact O-N 3.43Å |
| 516 | Q | 98.5 | Very high | 98.7 | Very high | 115 Ų | 115 | 106.6 Ų | 106.6 | 54% | 0.537 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 176.7 | -171.5 | 173.1 | 23.7 | 0 | 0 | 111.4 | K512 L513 R518 R519 L520 | K512-Q516 PolarHBondContact O-N 2.76Å; L513-Q516 WeakPolarHBondContact O-CB 3.34Å; L513-Q516 PolarHBondContact O-N 2.89Å; L513-Q516 VanDerWaalsContact O-N 3.09Å; Q516-R518 PolarHBondContact O-N 3Å; Q516-R519 PolarHBondContact O-N 2.92Å; Q516-L520 HydrophobicContact CG-CD1 4.22Å; Q516-L520 WeakPolarHBondContact O-CB 3.38Å; Q516-L520 WeakPolarHBondContact O-CG 3.39Å; Q516-L520 PolarHBondContact O-N 2.92Å |
| 517 | V | 98.7 | Very high | 98.7 | Very high | 99 Ų | 99 | 105 Ų | 105 | 60% | 0.6 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.1 | -48 | 173.8 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | L513 R519 L520 H521 | L513-V517 WeakPolarHBondContact O-CG2 3.34Å; L513-V517 PolarHBondContact O-N 3.1Å; V517-R519 PolarHBondContact O-N 3.44Å; V517-L520 PolarHBondContact O-N 3.37Å; V517-H521 WeakPolarHBondContact O-CB 3.5Å; V517-H521 PolarHBondContact O-N 2.87Å |
| 518 | R | 98.8 | Very high | 98.7 | Very high | 129 Ų | 129 | 106.3 Ų | 106.3 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.4 | -48.2 | 176.9 | -83.1 | -179.4 | -83.6 | 134.4 | -8.8 | 112.5 | E514 L515 Q516 L520 H521 D522 | E514-R518 PolarHBondContact O-N 3.04Å; E514-R518 VanDerWaalsContact O-N 3.09Å; E514-R518 PolarHBondContact O-NE 3.26Å; L515-R518 PolarHBondContact O-N 3.29Å; Q516-R518 PolarHBondContact O-N 3Å; R518-L520 VanDerWaalsContact C-N 3.35Å; R518-L520 PolarHBondContact O-N 2.95Å; R518-H521 WeakPolarHBondContact O-CB 3.06Å; R518-H521 PolarHBondContact O-N 2.96Å; R518-D522 VanDerWaalsContact O-CG 3.31Å; R518-D522 PolarHBondContact O-N 3.32Å |
| 519 | R | 98.8 | Very high | 98.7 | Very high | 168 Ų | 168 | 107.5 Ų | 107.5 | 63% | 0.634 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60 | -42.5 | 177.8 | -73.6 | 176.4 | -177.8 | -177.3 | 0.3 | 112.7 | L515 Q516 V517 D522 F523 | L515-R519 WeakPolarHBondContact O-CG 3.49Å; L515-R519 PolarHBondContact O-N 3.43Å; Q516-R519 PolarHBondContact O-N 2.92Å; V517-R519 PolarHBondContact O-N 3.44Å; R519-D522 PolarHBondContact O-N 3.08Å; R519-F523 WeakPolarHBondContact O-CB 3.39Å; R519-F523 PolarHBondContact O-N 2.96Å |
| 520 | L | 98.8 | Very high | 98.7 | Very high | 94 Ų | 94 | 109.1 Ų | 109.1 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.9 | -39 | 176.6 | -74.4 | 173.1 | 0 | 0 | 0 | 111.5 | Q516 V517 R518 F523 N524 | Q516-L520 HydrophobicContact CG-CD1 4.22Å; Q516-L520 WeakPolarHBondContact O-CB 3.38Å; Q516-L520 WeakPolarHBondContact O-CG 3.39Å; Q516-L520 PolarHBondContact O-N 2.92Å; V517-L520 PolarHBondContact O-N 3.37Å; R518-L520 VanDerWaalsContact C-N 3.35Å; R518-L520 PolarHBondContact O-N 2.95Å; L520-F523 PolarHBondContact O-N 3.41Å; L520-N524 WeakPolarHBondContact O-CB 3.33Å; L520-N524 PolarHBondContact O-N 3.18Å; L520-N524 PolarHBondContact O-ND2 2.8Å |
| 521 | H | 98.8 | Very high | 98.7 | Very high | 126 Ų | 126 | 107.1 Ų | 107.1 | 58% | 0.583 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.5 | -44.5 | 176.1 | -170.8 | -80.2 | 0 | 0 | 0 | 111.5 | V517 R518 N524 R525 | V517-H521 WeakPolarHBondContact O-CB 3.5Å; V517-H521 PolarHBondContact O-N 2.87Å; R518-H521 WeakPolarHBondContact O-CB 3.06Å; R518-H521 PolarHBondContact O-N 2.96Å; H521-N524 PolarHBondContact O-N 3.25Å; H521-R525 WeakPolarHBondContact O-CB 3.29Å; H521-R525 PolarHBondContact O-N 2.96Å |
| 522 | D | 98.7 | Very high | 98.7 | Very high | 64 Ų | 64 | 110.6 Ų | 110.6 | 34% | 0.342 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -46.7 | 175.3 | -68.4 | -31.8 | 0 | 0 | 0 | 111.3 | R518 R519 N524 R525 D526 | R518-D522 VanDerWaalsContact O-CG 3.31Å; R518-D522 PolarHBondContact O-N 3.32Å; R519-D522 PolarHBondContact O-N 3.08Å; D522-N524 VanDerWaalsContact C-N 3.33Å; D522-N524 PolarHBondContact O-N 2.89Å; D522-R525 WeakPolarHBondContact O-CB 3.46Å; D522-R525 PolarHBondContact O-N 3.37Å; D522-R525 VanDerWaalsContact O-N 3.16Å; D522-R525 IonicContact OD1-CZ 3.77Å; D522-R525 IonicContact OD1-NH1 3.75Å; D522-R525 PolarHBondContact OD1-NH1 3.28Å; D522-R525 IonicContact OD1-NH2 2.83Å; D522-R525 PolarHBondContact OD1-NH2 3.39Å; D522-D526 PolarHBondContact O-N 2.85Å |
| 523 | F | 98.8 | Very high | 98.6 | Very high | 113 Ų | 113 | 107.1 Ų | 107.1 | 50% | 0.496 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.6 | -42.3 | 176.3 | 178.9 | -98.6 | 0 | 0 | 0 | 112.6 | R519 L520 D526 L527 | R519-F523 WeakPolarHBondContact O-CB 3.39Å; R519-F523 PolarHBondContact O-N 2.96Å; L520-F523 PolarHBondContact O-N 3.41Å; F523-D526 PolarHBondContact O-N 2.84Å; F523-L527 WeakPolarHBondContact O-CB 3.29Å; F523-L527 PolarHBondContact O-N 2.89Å |
| 524 | N | 98.8 | Very high | 98.6 | Very high | 78 Ų | 78 | 104.2 Ų | 104.2 | 42% | 0.417 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67 | -36.9 | 176.7 | -80.9 | -53.1 | 0 | 0 | 0 | 112.2 | L520 H521 D522 L527 R528 | L520-N524 WeakPolarHBondContact O-CB 3.33Å; L520-N524 PolarHBondContact O-N 3.18Å; L520-N524 PolarHBondContact O-ND2 2.8Å; H521-N524 PolarHBondContact O-N 3.25Å; D522-N524 VanDerWaalsContact C-N 3.33Å; D522-N524 PolarHBondContact O-N 2.89Å; N524-L527 PolarHBondContact O-N 3.46Å; N524-R528 WeakPolarHBondContact O-CG 3.3Å; N524-R528 PolarHBondContact O-N 3.22Å |
| 525 | R | 98.7 | Very high | 98.6 | Very high | 107 Ų | 107 | 104.5 Ų | 104.5 | 40% | 0.404 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.4 | -51.3 | 172.8 | -178.6 | -179.6 | 63.3 | -120 | -11.4 | 110.3 | H521 D522 L527 R528 E529 | H521-R525 WeakPolarHBondContact O-CB 3.29Å; H521-R525 PolarHBondContact O-N 2.96Å; D522-R525 WeakPolarHBondContact O-CB 3.46Å; D522-R525 PolarHBondContact O-N 3.37Å; D522-R525 VanDerWaalsContact O-N 3.16Å; D522-R525 IonicContact OD1-CZ 3.77Å; D522-R525 IonicContact OD1-NH1 3.75Å; D522-R525 PolarHBondContact OD1-NH1 3.28Å; D522-R525 IonicContact OD1-NH2 2.83Å; D522-R525 PolarHBondContact OD1-NH2 3.39Å; R525-L527 PolarHBondContact O-N 3.47Å; R525-R528 WeakPolarHBondContact O-CB 3.33Å; R525-R528 PolarHBondContact O-N 2.87Å; R525-R528 VanDerWaalsContact O-N 3.1Å; R525-E529 WeakPolarHBondContact CG-OE1 3.34Å; R525-E529 WeakPolarHBondContact O-CG 3.3Å; R525-E529 PolarHBondContact O-N 2.93Å |
| 526 | D | 98.8 | Very high | 98.5 | Very high | 71 Ų | 71 | 109.1 Ų | 109.1 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.7 | -32.8 | 179 | -66.4 | 2.5 | 0 | 0 | 0 | 112.4 | D522 F523 R530 | D522-D526 PolarHBondContact O-N 2.85Å; F523-D526 PolarHBondContact O-N 2.84Å; D526-R530 WeakPolarHBondContact O-CB 3.33Å; D526-R530 WeakPolarHBondContact O-CG 3.41Å; D526-R530 PolarHBondContact O-N 3.5Å; D526-R530 PolarHBondContact O-NE 3.37Å |
| 527 | L | 98.8 | Very high | 98.4 | Very high | 81 Ų | 81 | 108.3 Ų | 108.3 | 42% | 0.424 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.6 | -43.6 | 175.3 | -173.8 | 63.3 | 0 | 0 | 0 | 111.4 | F523 N524 R525 R530 M531 | F523-L527 WeakPolarHBondContact O-CB 3.29Å; F523-L527 PolarHBondContact O-N 2.89Å; N524-L527 PolarHBondContact O-N 3.46Å; R525-L527 PolarHBondContact O-N 3.47Å; L527-R530 PolarHBondContact O-N 3.47Å; L527-M531 WeakPolarHBondContact O-CB 3.44Å; L527-M531 PolarHBondContact O-N 2.85Å |
| 528 | R | 98.6 | Very high | 98.3 | Very high | 185 Ų | 185 | 108.2 Ų | 108.2 | 70% | 0.698 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.5 | -45.4 | 174.9 | -72.6 | 176.5 | -170.3 | -138.3 | 3.3 | 111.3 | N524 R525 R530 M531 E532 | N524-R528 WeakPolarHBondContact O-CG 3.3Å; N524-R528 PolarHBondContact O-N 3.22Å; R525-R528 WeakPolarHBondContact O-CB 3.33Å; R525-R528 PolarHBondContact O-N 2.87Å; R525-R528 VanDerWaalsContact O-N 3.1Å; R528-R530 VanDerWaalsContact C-N 3.33Å; R528-R530 PolarHBondContact O-N 2.75Å; R528-M531 PolarHBondContact O-N 2.9Å; R528-E532 WeakPolarHBondContact O-CB 3.44Å; R528-E532 PolarHBondContact O-N 3.18Å |
| 529 | E | 98.6 | Very high | 98.1 | Very high | 97 Ų | 97 | 104.8 Ų | 104.8 | 45% | 0.453 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 177.1 | -72.8 | 176.5 | -164.9 | 0 | 0 | 111.9 | R525 E532 T533 | R525-E529 WeakPolarHBondContact CG-OE1 3.34Å; R525-E529 WeakPolarHBondContact O-CG 3.3Å; R525-E529 PolarHBondContact O-N 2.93Å; E529-E532 PolarHBondContact O-N 2.93Å; E529-T533 WeakPolarHBondContact O-CB 2.99Å; E529-T533 PolarHBondContact O-N 3.47Å; E529-T533 PolarHBondContact O-OG1 3.38Å |
| 530 | R | 98.6 | Very high | 97.9 | Very high | 143 Ų | 143 | 99.3 Ų | 99.3 | 54% | 0.54 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 174.5 | -82.6 | -175.5 | -75 | 164.3 | -6.5 | 112.7 | D526 L527 R528 T533 A534 | D526-R530 WeakPolarHBondContact O-CB 3.33Å; D526-R530 WeakPolarHBondContact O-CG 3.41Å; D526-R530 PolarHBondContact O-N 3.5Å; D526-R530 PolarHBondContact O-NE 3.37Å; L527-R530 PolarHBondContact O-N 3.47Å; R528-R530 VanDerWaalsContact C-N 3.33Å; R528-R530 PolarHBondContact O-N 2.75Å; R530-T533 PolarHBondContact O-N 3.3Å; R530-A534 WeakPolarHBondContact O-CB 3.44Å; R530-A534 PolarHBondContact O-N 3.24Å |
| 531 | M | 98.4 | Very high | 97.6 | Very high | 114 Ų | 114 | 101 Ų | 101 | 56% | 0.562 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.1 | -45.3 | 175.8 | -177.3 | -172.2 | 70.1 | 0 | 0 | 111.1 | L527 R528 T533 A534 N535 | L527-M531 WeakPolarHBondContact O-CB 3.44Å; L527-M531 PolarHBondContact O-N 2.85Å; R528-M531 PolarHBondContact O-N 2.9Å; M531-T533 VanDerWaalsContact C-N 3.32Å; M531-T533 PolarHBondContact O-N 2.79Å; M531-A534 PolarHBondContact O-N 2.92Å; M531-N535 WeakPolarHBondContact O-CB 3.45Å; M531-N535 PolarHBondContact O-N 2.89Å |
| 532 | E | 98.2 | Very high | 97.2 | Very high | 136 Ų | 136 | 101.8 Ų | 101.8 | 64% | 0.636 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.9 | -43.1 | 176 | -175.1 | 178 | -179.6 | 0 | 0 | 111.3 | R528 E529 N535 K536 | R528-E532 WeakPolarHBondContact O-CB 3.44Å; R528-E532 PolarHBondContact O-N 3.18Å; E529-E532 PolarHBondContact O-N 2.93Å; E532-N535 PolarHBondContact O-N 2.93Å; E532-K536 WeakPolarHBondContact O-CB 3.4Å; E532-K536 PolarHBondContact O-N 3.23Å |
| 533 | T | 98.1 | Very high | 96.7 | Very high | 74 Ų | 74 | 102.5 Ų | 102.5 | 45% | 0.454 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -43.4 | 176.3 | -58 | 0 | 0 | 0 | 0 | 111.7 | E529 R530 M531 K536 Q537 | E529-T533 WeakPolarHBondContact O-CB 2.99Å; E529-T533 PolarHBondContact O-N 3.47Å; E529-T533 PolarHBondContact O-OG1 3.38Å; R530-T533 PolarHBondContact O-N 3.3Å; M531-T533 VanDerWaalsContact C-N 3.32Å; M531-T533 PolarHBondContact O-N 2.79Å; T533-K536 PolarHBondContact O-N 3.19Å; T533-Q537 WeakPolarHBondContact O-CG 3.15Å; T533-Q537 PolarHBondContact O-N 2.95Å |
| 534 | A | 98.1 | Very high | 96.3 | Very high | 45 Ų | 45 | 101.5 Ų | 101.5 | 37% | 0.372 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.7 | -44.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R530 M531 K536 Q537 L538 | R530-A534 WeakPolarHBondContact O-CB 3.44Å; R530-A534 PolarHBondContact O-N 3.24Å; M531-A534 PolarHBondContact O-N 2.92Å; A534-K536 PolarHBondContact O-N 3.22Å; A534-Q537 WeakPolarHBondContact O-CB 3.28Å; A534-Q537 PolarHBondContact O-N 3.43Å; A534-L538 WeakPolarHBondContact O-CG 3.17Å; A534-L538 PolarHBondContact O-N 3.39Å |
| 535 | N | 97.9 | Very high | 95.8 | Very high | 91 Ų | 91 | 100.8 Ų | 100.8 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 175.6 | -78.1 | -7.1 | 0 | 0 | 0 | 111.8 | M531 E532 Q537 L538 A539 | M531-N535 WeakPolarHBondContact O-CB 3.45Å; M531-N535 PolarHBondContact O-N 2.89Å; E532-N535 PolarHBondContact O-N 2.93Å; N535-Q537 VanDerWaalsContact C-N 3.28Å; N535-Q537 PolarHBondContact O-N 3.41Å; N535-L538 PolarHBondContact O-N 3.48Å; N535-A539 WeakPolarHBondContact O-CB 3.49Å; N535-A539 PolarHBondContact O-N 2.8Å |
| 536 | K | 97.4 | Very high | 95.4 | Very high | 161 Ų | 161 | 99.3 Ų | 99.3 | 70% | 0.7 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.4 | -40.3 | 174.7 | -172.6 | 175.3 | -178.9 | 177.9 | 0 | 111.4 | E532 T533 A534 S540 | E532-K536 WeakPolarHBondContact O-CB 3.4Å; E532-K536 PolarHBondContact O-N 3.23Å; T533-K536 PolarHBondContact O-N 3.19Å; A534-K536 PolarHBondContact O-N 3.22Å; K536-S540 WeakPolarHBondContact O-CB 3.07Å; K536-S540 PolarHBondContact O-N 3.11Å; K536-S540 PolarHBondContact O-OG 3.48Å |
| 537 | Q | 96.9 | Very high | 95.1 | Very high | 98 Ų | 98 | 99.5 Ų | 99.5 | 46% | 0.458 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66 | -42.1 | 175.2 | -73.2 | 177 | 29.9 | 0 | 0 | 112.4 | T533 A534 N535 S540 K541 | T533-Q537 WeakPolarHBondContact O-CG 3.15Å; T533-Q537 PolarHBondContact O-N 2.95Å; A534-Q537 WeakPolarHBondContact O-CB 3.28Å; A534-Q537 PolarHBondContact O-N 3.43Å; N535-Q537 VanDerWaalsContact C-N 3.28Å; N535-Q537 PolarHBondContact O-N 3.41Å; Q537-S540 VanDerWaalsContact CA-OG 3.3Å; Q537-S540 WeakPolarHBondContact CA-OG 3.49Å; Q537-S540 PolarHBondContact O-N 3.1Å; Q537-S540 PolarHBondContact O-OG 2.87Å; Q537-K541 WeakPolarHBondContact O-CB 3.44Å; Q537-K541 VanDerWaalsContact O-CG 3.28Å; Q537-K541 WeakPolarHBondContact O-CG 3.45Å; Q537-K541 PolarHBondContact O-N 2.97Å |
| 538 | L | 95.2 | Very high | 94.8 | Very high | 97 Ų | 97 | 99.8 Ų | 99.8 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.7 | -48.9 | 175.5 | -70.5 | 173.3 | 0 | 0 | 0 | 110.7 | A534 N535 S540 K541 E542 | A534-L538 WeakPolarHBondContact O-CG 3.17Å; A534-L538 PolarHBondContact O-N 3.39Å; N535-L538 PolarHBondContact O-N 3.48Å; L538-S540 VanDerWaalsContact C-N 3.35Å; L538-S540 PolarHBondContact O-N 3.38Å; L538-K541 PolarHBondContact O-N 3.5Å; L538-E542 WeakPolarHBondContact O-CG 3.49Å; L538-E542 PolarHBondContact O-N 3.48Å |
| 539 | A | 95.4 | Very high | 94.5 | Very high | 57 Ų | 57 | 95.4 Ų | 95.4 | 47% | 0.471 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N535 E542 C543 | N535-A539 WeakPolarHBondContact O-CB 3.49Å; N535-A539 PolarHBondContact O-N 2.8Å; A539-E542 PolarHBondContact O-N 2.89Å; A539-C543 PolarHBondContact O-N 3.32Å; A539-C543 VanDerWaalsContact O-N 3.09Å |
| 540 | S | 93.9 | Very high | 94.3 | Very high | 53 Ų | 53 | 97.7 Ų | 97.7 | 37% | 0.371 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 175.5 | 58.4 | 0 | 0 | 0 | 0 | 112.4 | K536 Q537 L538 E542 C543 D544 | K536-S540 WeakPolarHBondContact O-CB 3.07Å; K536-S540 PolarHBondContact O-N 3.11Å; K536-S540 PolarHBondContact O-OG 3.48Å; Q537-S540 VanDerWaalsContact CA-OG 3.3Å; Q537-S540 WeakPolarHBondContact CA-OG 3.49Å; Q537-S540 PolarHBondContact O-N 3.1Å; Q537-S540 PolarHBondContact O-OG 2.87Å; L538-S540 VanDerWaalsContact C-N 3.35Å; L538-S540 PolarHBondContact O-N 3.38Å; S540-E542 PolarHBondContact O-N 2.93Å; S540-C543 WeakPolarHBondContact O-CB 3.47Å; S540-C543 PolarHBondContact O-N 3.36Å; S540-D544 VanDerWaalsContact O-CG 3.28Å; S540-D544 PolarHBondContact O-N 3.2Å |
| 541 | K | 92.9 | Very high | 94.2 | Very high | 131 Ų | 131 | 95.8 Ų | 95.8 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -66.5 | -37.3 | 179.3 | -74.8 | 174.1 | -179 | 178.9 | 0 | 112.2 | Q537 L538 S545 | Q537-K541 WeakPolarHBondContact O-CB 3.44Å; Q537-K541 VanDerWaalsContact O-CG 3.28Å; Q537-K541 WeakPolarHBondContact O-CG 3.45Å; Q537-K541 PolarHBondContact O-N 2.97Å; L538-K541 PolarHBondContact O-N 3.5Å; K541-S545 WeakPolarHBondContact O-CB 3.45Å; K541-S545 PolarHBondContact O-N 3.2Å |
| 542 | E | 89.9 | Confident | 94.1 | Very high | 142 Ų | 142 | 93.9 Ų | 93.9 | 66% | 0.664 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.1 | -40 | 174.1 | -75.1 | 176.3 | -169.5 | 0 | 0 | 111.6 | L538 A539 S540 S546 | L538-E542 WeakPolarHBondContact O-CG 3.49Å; L538-E542 PolarHBondContact O-N 3.48Å; A539-E542 PolarHBondContact O-N 2.89Å; S540-E542 PolarHBondContact O-N 2.93Å; E542-S546 WeakPolarHBondContact O-CB 3.44Å; E542-S546 PolarHBondContact O-N 2.96Å |
| 543 | C | 88.6 | Confident | 94 | Very high | 79 Ų | 79 | 92 Ų | 92 | 53% | 0.534 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.5 | -50.6 | 175.8 | -169.8 | 0 | 0 | 0 | 0 | 111.8 | A539 S540 S545 S546 E547 | A539-C543 PolarHBondContact O-N 3.32Å; A539-C543 VanDerWaalsContact O-N 3.09Å; S540-C543 WeakPolarHBondContact O-CB 3.47Å; S540-C543 PolarHBondContact O-N 3.36Å; C543-S545 PolarHBondContact O-N 2.91Å; C543-S546 PolarHBondContact O-N 3.09Å; C543-E547 WeakPolarHBondContact O-CB 3.3Å; C543-E547 PolarHBondContact O-N 3.38Å |
| 544 | D | 89.9 | Confident | 93.9 | Very high | 92 Ų | 92 | 92.2 Ų | 92.2 | 49% | 0.492 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | -179.6 | -66 | -23.4 | 0 | 0 | 0 | 111.4 | S540 S546 E547 D548 | S540-D544 VanDerWaalsContact O-CG 3.28Å; S540-D544 PolarHBondContact O-N 3.2Å; D544-S546 PolarHBondContact O-N 3.49Å; D544-E547 PolarHBondContact O-N 2.96Å; D544-D548 PolarHBondContact O-N 2.91Å |
| 545 | S | 89 | Confident | 93.8 | Very high | 62 Ų | 62 | 93.1 Ų | 93.1 | 43% | 0.434 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62 | -43.4 | 176.9 | 178.6 | 0 | 0 | 0 | 0 | 112.2 | K541 C543 E547 D548 N549 | K541-S545 WeakPolarHBondContact O-CB 3.45Å; K541-S545 PolarHBondContact O-N 3.2Å; C543-S545 PolarHBondContact O-N 2.91Å; S545-E547 VanDerWaalsContact C-N 3.32Å; S545-E547 PolarHBondContact O-N 3.21Å; S545-D548 PolarHBondContact O-N 3.28Å; S545-N549 WeakPolarHBondContact O-CB 3.14Å; S545-N549 PolarHBondContact O-N 3.05Å; S545-N549 PolarHBondContact O-ND2 3.35Å |
| 546 | S | 90 | Very high | 93.7 | Very high | 77 Ų | 77 | 93.5 Ų | 93.5 | 54% | 0.538 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63 | -39.5 | 174.9 | -177 | 0 | 0 | 0 | 0 | 111.7 | E542 C543 D544 N549 R550 | E542-S546 WeakPolarHBondContact O-CB 3.44Å; E542-S546 PolarHBondContact O-N 2.96Å; C543-S546 PolarHBondContact O-N 3.09Å; D544-S546 PolarHBondContact O-N 3.49Å; S546-N549 PolarHBondContact O-N 2.93Å; S546-R550 VanDerWaalsContact O-CB 3.29Å; S546-R550 WeakPolarHBondContact O-CB 3.48Å; S546-R550 PolarHBondContact O-N 2.88Å |
| 547 | E | 91.8 | Very high | 93.7 | Very high | 74 Ų | 74 | 89.9 Ų | 89.9 | 35% | 0.346 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.6 | -41.1 | 177.1 | -159.8 | -171.1 | 139.7 | 0 | 0 | 112.1 | C543 D544 S545 R550 K551 | C543-E547 WeakPolarHBondContact O-CB 3.3Å; C543-E547 PolarHBondContact O-N 3.38Å; D544-E547 PolarHBondContact O-N 2.96Å; S545-E547 VanDerWaalsContact C-N 3.32Å; S545-E547 PolarHBondContact O-N 3.21Å; E547-R550 WeakPolarHBondContact O-CB 3.32Å; E547-R550 PolarHBondContact O-N 3.47Å; E547-K551 WeakPolarHBondContact O-CG 3.45Å; E547-K551 PolarHBondContact O-N 3.34Å; E547-K551 WeakPolarHBondContact OE1-CE 3.29Å; E547-K551 IonicContact OE1-NZ 2.93Å; E547-K551 PolarHBondContact OE1-NZ 3.03Å |
| 548 | D | 92.8 | Very high | 93.7 | Very high | 88 Ų | 88 | 93.9 Ų | 93.9 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.7 | -43.1 | 175.9 | -74.3 | -15.7 | 0 | 0 | 0 | 112 | D544 S545 R550 K551 T552 | D544-D548 PolarHBondContact O-N 2.91Å; S545-D548 PolarHBondContact O-N 3.28Å; D548-R550 VanDerWaalsContact C-N 3.29Å; D548-R550 PolarHBondContact O-N 3.3Å; D548-K551 WeakPolarHBondContact O-CB 3.34Å; D548-K551 PolarHBondContact O-N 3.45Å; D548-K551 VanDerWaalsContact O-N 3.11Å; D548-K551 IonicContact OD1-NZ 3.73Å; D548-T552 PolarHBondContact O-N 2.9Å; D548-T552 PolarHBondContact O-OG1 2.77Å; D548-T552 VanDerWaalsContact O-OG1 3.1Å |
| 549 | N | 93.8 | Very high | 93.8 | Very high | 92 Ų | 92 | 96.8 Ų | 96.8 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.7 | -44.1 | 172.1 | -70.7 | -26.4 | 0 | 0 | 0 | 111.1 | S545 S546 K551 T552 I553 | S545-N549 WeakPolarHBondContact O-CB 3.14Å; S545-N549 PolarHBondContact O-N 3.05Å; S545-N549 PolarHBondContact O-ND2 3.35Å; S546-N549 PolarHBondContact O-N 2.93Å; N549-K551 VanDerWaalsContact C-N 3.34Å; N549-K551 PolarHBondContact O-N 3.31Å; N549-T552 PolarHBondContact O-N 3.32Å; N549-I553 VanDerWaalsContact O-CG1 3.28Å; N549-I553 WeakPolarHBondContact O-CG1 3.35Å; N549-I553 PolarHBondContact O-N 3.48Å |
| 550 | R | 94.2 | Very high | 93.8 | Very high | 146 Ų | 146 | 101.3 Ų | 101.3 | 55% | 0.551 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.1 | -41.9 | 175.5 | -174.1 | -178.9 | 68.4 | 114.1 | -0.7 | 111.4 | S546 E547 D548 N554 | S546-R550 VanDerWaalsContact O-CB 3.29Å; S546-R550 WeakPolarHBondContact O-CB 3.48Å; S546-R550 PolarHBondContact O-N 2.88Å; E547-R550 WeakPolarHBondContact O-CB 3.32Å; E547-R550 PolarHBondContact O-N 3.47Å; D548-R550 VanDerWaalsContact C-N 3.29Å; D548-R550 PolarHBondContact O-N 3.3Å; R550-N554 WeakPolarHBondContact O-CB 3.44Å; R550-N554 PolarHBondContact O-N 2.91Å; R550-N554 PolarHBondContact O-ND2 2.95Å |
| 551 | K | 95.8 | Very high | 94 | Very high | 102 Ų | 102 | 105.1 Ų | 105.1 | 44% | 0.443 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 176.1 | -73.6 | 166.8 | -172.1 | 154.7 | 0 | 111.5 | E547 D548 N549 N554 S555 | E547-K551 WeakPolarHBondContact O-CG 3.45Å; E547-K551 PolarHBondContact O-N 3.34Å; E547-K551 WeakPolarHBondContact OE1-CE 3.29Å; E547-K551 IonicContact OE1-NZ 2.93Å; E547-K551 PolarHBondContact OE1-NZ 3.03Å; D548-K551 WeakPolarHBondContact O-CB 3.34Å; D548-K551 PolarHBondContact O-N 3.45Å; D548-K551 VanDerWaalsContact O-N 3.11Å; D548-K551 IonicContact OD1-NZ 3.73Å; N549-K551 VanDerWaalsContact C-N 3.34Å; N549-K551 PolarHBondContact O-N 3.31Å; K551-N554 PolarHBondContact O-N 3.47Å; K551-S555 PolarHBondContact O-N 3.07Å |
| 552 | T | 96.2 | Very high | 94.2 | Very high | 74 Ų | 74 | 103.9 Ų | 103.9 | 45% | 0.454 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.3 | -51 | 177.7 | -59.6 | 0 | 0 | 0 | 0 | 111.3 | D548 N549 N554 S555 E556 | D548-T552 PolarHBondContact O-N 2.9Å; D548-T552 PolarHBondContact O-OG1 2.77Å; D548-T552 VanDerWaalsContact O-OG1 3.1Å; N549-T552 PolarHBondContact O-N 3.32Å; T552-N554 VanDerWaalsContact C-N 3.28Å; T552-N554 PolarHBondContact O-N 3.15Å; T552-S555 WeakPolarHBondContact O-CA 3.48Å; T552-S555 WeakPolarHBondContact O-CB 3.42Å; T552-S555 PolarHBondContact O-N 3.16Å; T552-E556 PolarHBondContact O-N 3.13Å |
| 553 | I | 95.9 | Very high | 94.6 | Very high | 96 Ų | 96 | 100.3 Ų | 100.3 | 49% | 0.492 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -56.6 | -43.8 | 176.3 | -67 | 165 | 0 | 0 | 0 | 110.8 | N549 S555 E556 L557 | N549-I553 VanDerWaalsContact O-CG1 3.28Å; N549-I553 WeakPolarHBondContact O-CG1 3.35Å; N549-I553 PolarHBondContact O-N 3.48Å; I553-S555 VanDerWaalsContact C-N 3.33Å; I553-S555 PolarHBondContact O-N 3.25Å; I553-E556 PolarHBondContact O-N 3.29Å; I553-L557 HydrophobicContact CG2-CD1 4Å; I553-L557 HydrophobicContact CG2-CG 4.36Å; I553-L557 WeakPolarHBondContact O-CB 3.14Å; I553-L557 VanDerWaalsContact O-CG 3.28Å; I553-L557 WeakPolarHBondContact O-CG 3.28Å; I553-L557 PolarHBondContact O-N 2.95Å |
| 554 | N | 96.2 | Very high | 95 | Very high | 80 Ų | 80 | 101 Ų | 101 | 43% | 0.428 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.1 | -35.3 | 177.2 | -82.6 | -66.6 | 0 | 0 | 0 | 113.1 | R550 K551 T552 R558 | R550-N554 WeakPolarHBondContact O-CB 3.44Å; R550-N554 PolarHBondContact O-N 2.91Å; R550-N554 PolarHBondContact O-ND2 2.95Å; K551-N554 PolarHBondContact O-N 3.47Å; T552-N554 VanDerWaalsContact C-N 3.28Å; T552-N554 PolarHBondContact O-N 3.15Å; N554-R558 PolarHBondContact O-N 2.81Å; N554-R558 VanDerWaalsContact O-N 3.16Å |
| 555 | S | 96.2 | Very high | 95.4 | Very high | 64 Ų | 64 | 103.6 Ų | 103.6 | 45% | 0.448 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.4 | -47.6 | 174.3 | -168.2 | 0 | 0 | 0 | 0 | 111.3 | K551 T552 I553 L557 R558 Y559 | K551-S555 PolarHBondContact O-N 3.07Å; T552-S555 WeakPolarHBondContact O-CA 3.48Å; T552-S555 WeakPolarHBondContact O-CB 3.42Å; T552-S555 PolarHBondContact O-N 3.16Å; I553-S555 VanDerWaalsContact C-N 3.33Å; I553-S555 PolarHBondContact O-N 3.25Å; S555-L557 PolarHBondContact O-N 3.45Å; S555-R558 WeakPolarHBondContact O-CB 3.43Å; S555-R558 PolarHBondContact O-N 3.01Å; S555-R558 VanDerWaalsContact O-N 3.15Å; S555-Y559 PolarHBondContact O-N 3.28Å; S555-Y559 VanDerWaalsContact O-N 3.07Å |
| 556 | E | 96.4 | Very high | 95.8 | Very high | 98 Ų | 98 | 106.3 Ų | 106.3 | 46% | 0.458 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.3 | -45.2 | 176 | -70.3 | 176.3 | -173.4 | 0 | 0 | 111.4 | T552 I553 R558 Y559 Y560 | T552-E556 PolarHBondContact O-N 3.13Å; I553-E556 PolarHBondContact O-N 3.29Å; E556-R558 PolarHBondContact O-N 2.87Å; E556-Y559 CarbonylContact O-C 3.58Å; E556-Y559 WeakPolarHBondContact O-CA 3.28Å; E556-Y559 WeakPolarHBondContact O-CB 3.25Å; E556-Y559 PolarHBondContact O-N 3.39Å; E556-Y560 HydrophobicContact CB-CD2 4.31Å; E556-Y560 HydrophobicContact CB-CE2 4.23Å; E556-Y560 WeakPolarHBondContact O-CD2 3.34Å; E556-Y560 PolarHBondContact O-N 3.29Å |
| 557 | L | 96.6 | Very high | 96.1 | Very high | 86 Ų | 86 | 108.8 Ų | 108.8 | 45% | 0.45 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.7 | -34.6 | 176 | -76.3 | 173.1 | 0 | 0 | 0 | 112.8 | I553 S555 K561 | I553-L557 HydrophobicContact CG2-CD1 4Å; I553-L557 HydrophobicContact CG2-CG 4.36Å; I553-L557 WeakPolarHBondContact O-CB 3.14Å; I553-L557 VanDerWaalsContact O-CG 3.28Å; I553-L557 WeakPolarHBondContact O-CG 3.28Å; I553-L557 PolarHBondContact O-N 2.95Å; S555-L557 PolarHBondContact O-N 3.45Å; L557-K561 WeakPolarHBondContact O-CG 3.41Å; L557-K561 PolarHBondContact O-N 3.39Å; L557-K561 VanDerWaalsContact O-N 3.11Å |
| 558 | R | 96.8 | Very high | 96.4 | Very high | 181 Ų | 181 | 110.2 Ų | 110.2 | 68% | 0.683 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.7 | -45 | 172.8 | -77.6 | -171.5 | -73.6 | 179.1 | -1.7 | 111.4 | N554 S555 E556 K561 E562 | N554-R558 PolarHBondContact O-N 2.81Å; N554-R558 VanDerWaalsContact O-N 3.16Å; S555-R558 WeakPolarHBondContact O-CB 3.43Å; S555-R558 PolarHBondContact O-N 3.01Å; S555-R558 VanDerWaalsContact O-N 3.15Å; E556-R558 PolarHBondContact O-N 2.87Å; R558-K561 PolarHBondContact O-N 3.37Å; R558-E562 PolarHBondContact O-N 2.88Å; R558-E562 VanDerWaalsContact O-N 3.13Å |
| 559 | Y | 97.1 | Very high | 96.7 | Very high | 159 Ų | 159 | 112.6 Ų | 112.6 | 62% | 0.624 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62 | -44.5 | 176.9 | -179.2 | -111.9 | 0 | 0 | 0 | 112 | S555 E556 K561 E562 I563 | S555-Y559 PolarHBondContact O-N 3.28Å; S555-Y559 VanDerWaalsContact O-N 3.07Å; E556-Y559 CarbonylContact O-C 3.58Å; E556-Y559 WeakPolarHBondContact O-CA 3.28Å; E556-Y559 WeakPolarHBondContact O-CB 3.25Å; E556-Y559 PolarHBondContact O-N 3.39Å; Y559-K561 VanDerWaalsContact C-N 3.34Å; Y559-K561 PolarHBondContact O-N 2.89Å; Y559-E562 WeakPolarHBondContact O-CB 3.44Å; Y559-E562 PolarHBondContact O-N 2.97Å; Y559-E562 VanDerWaalsContact O-N 3.07Å; Y559-I563 HydrophobicContact CD1-CD1 3.55Å; Y559-I563 HydrophobicContact CD1-CG1 4.43Å; Y559-I563 HydrophobicContact CE1-CD1 3.12Å; Y559-I563 HydrophobicContact CE1-CG1 4.07Å; Y559-I563 HydrophobicContact CE2-CD1 4.19Å; Y559-I563 HydrophobicContact CE2-CG1 4.29Å; Y559-I563 HydrophobicContact CG-CD1 4.25Å; Y559-I563 VanDerWaalsContact CZ-CD1 3.47Å; Y559-I563 PolarHBondContact O-N 3.3Å |
| 560 | Y | 96.8 | Very high | 96.9 | Very high | 151 Ų | 151 | 112.8 Ų | 112.8 | 59% | 0.592 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.7 | -42.2 | 174.9 | -82 | -66.1 | 0 | 0 | 0 | 112.9 | E556 E562 I563 L564 | E556-Y560 HydrophobicContact CB-CD2 4.31Å; E556-Y560 HydrophobicContact CB-CE2 4.23Å; E556-Y560 WeakPolarHBondContact O-CD2 3.34Å; E556-Y560 PolarHBondContact O-N 3.29Å; Y560-E562 VanDerWaalsContact C-N 3.27Å; Y560-E562 PolarHBondContact O-N 3.07Å; Y560-I563 PolarHBondContact O-N 3.11Å; Y560-L564 WeakPolarHBondContact O-CB 3.49Å; Y560-L564 PolarHBondContact O-N 3.29Å |
| 561 | K | 97.9 | Very high | 97.1 | Very high | 134 Ų | 134 | 110.7 Ų | 110.7 | 58% | 0.583 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.3 | -36.7 | 175.3 | -77.6 | 177.6 | -179.9 | -177.1 | 0 | 112 | L557 R558 Y559 L564 R565 | L557-K561 WeakPolarHBondContact O-CG 3.41Å; L557-K561 PolarHBondContact O-N 3.39Å; L557-K561 VanDerWaalsContact O-N 3.11Å; R558-K561 PolarHBondContact O-N 3.37Å; Y559-K561 VanDerWaalsContact C-N 3.34Å; Y559-K561 PolarHBondContact O-N 2.89Å; K561-L564 PolarHBondContact O-N 3.13Å; K561-R565 PolarHBondContact O-N 3.28Å; K561-R565 VanDerWaalsContact O-N 3.14Å |
| 562 | E | 97.1 | Very high | 97.1 | Very high | 104 Ų | 104 | 112 Ų | 112 | 49% | 0.486 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71 | -45.2 | 178.9 | -162.9 | 58 | -157.6 | 0 | 0 | 111.9 | R558 Y559 Y560 L564 R565 E566 | R558-E562 PolarHBondContact O-N 2.88Å; R558-E562 VanDerWaalsContact O-N 3.13Å; Y559-E562 WeakPolarHBondContact O-CB 3.44Å; Y559-E562 PolarHBondContact O-N 2.97Å; Y559-E562 VanDerWaalsContact O-N 3.07Å; Y560-E562 VanDerWaalsContact C-N 3.27Å; Y560-E562 PolarHBondContact O-N 3.07Å; E562-L564 PolarHBondContact O-N 3.42Å; E562-R565 PolarHBondContact O-N 3.14Å; E562-R565 VanDerWaalsContact O-N 3.13Å; E562-R565 IonicContact OE2-NH1 3.67Å; E562-R565 PolarHBondContact OE2-NH1 3.5Å; E562-E566 PolarHBondContact O-N 3.45Å |
| 563 | I | 97.3 | Very high | 97.2 | Very high | 68 Ų | 68 | 113.7 Ų | 113.7 | 35% | 0.349 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -55.7 | -41.8 | 172.3 | -68 | 164.5 | 0 | 0 | 0 | 110.8 | Y559 Y560 R565 E566 K567 | Y559-I563 HydrophobicContact CD1-CD1 3.55Å; Y559-I563 HydrophobicContact CD1-CG1 4.43Å; Y559-I563 HydrophobicContact CE1-CD1 3.12Å; Y559-I563 HydrophobicContact CE1-CG1 4.07Å; Y559-I563 HydrophobicContact CE2-CD1 4.19Å; Y559-I563 HydrophobicContact CE2-CG1 4.29Å; Y559-I563 HydrophobicContact CG-CD1 4.25Å; Y559-I563 VanDerWaalsContact CZ-CD1 3.47Å; Y559-I563 PolarHBondContact O-N 3.3Å; Y560-I563 PolarHBondContact O-N 3.11Å; I563-R565 PolarHBondContact O-N 3.46Å; I563-E566 PolarHBondContact O-N 2.98Å; I563-K567 WeakPolarHBondContact O-CB 3.43Å; I563-K567 PolarHBondContact O-N 2.88Å |
| 564 | L | 97.5 | Very high | 97.3 | Very high | 93 Ų | 93 | 113.2 Ų | 113.2 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | -179.9 | -168.8 | 66.7 | 0 | 0 | 0 | 111.7 | Y560 K561 E562 E566 K567 E568 | Y560-L564 WeakPolarHBondContact O-CB 3.49Å; Y560-L564 PolarHBondContact O-N 3.29Å; K561-L564 PolarHBondContact O-N 3.13Å; E562-L564 PolarHBondContact O-N 3.42Å; L564-E566 VanDerWaalsContact C-N 3.35Å; L564-K567 WeakPolarHBondContact O-CB 3.46Å; L564-K567 PolarHBondContact O-N 3.26Å; L564-E568 WeakPolarHBondContact O-CG 3.4Å; L564-E568 PolarHBondContact O-N 3.07Å |
| 565 | R | 97.7 | Very high | 97.4 | Very high | 146 Ų | 146 | 113.4 Ų | 113.4 | 55% | 0.551 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.7 | -41.6 | 174.2 | -73 | -168.6 | -170.1 | 103.7 | 2.2 | 112.5 | K561 E562 I563 K567 E568 K569 | K561-R565 PolarHBondContact O-N 3.28Å; K561-R565 VanDerWaalsContact O-N 3.14Å; E562-R565 PolarHBondContact O-N 3.14Å; E562-R565 VanDerWaalsContact O-N 3.13Å; E562-R565 IonicContact OE2-NH1 3.67Å; E562-R565 PolarHBondContact OE2-NH1 3.5Å; I563-R565 PolarHBondContact O-N 3.46Å; R565-K567 VanDerWaalsContact C-N 3.32Å; R565-E568 PolarHBondContact O-N 2.94Å; R565-K569 WeakPolarHBondContact O-CB 3.37Å; R565-K569 PolarHBondContact O-N 3.37Å |
| 566 | E | 97.4 | Very high | 97.5 | Very high | 120 Ų | 120 | 113.1 Ų | 113.1 | 56% | 0.561 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.6 | -40.9 | 177.7 | -172.6 | 170.1 | -161.9 | 0 | 0 | 111.1 | E562 I563 L564 K569 L570 | E562-E566 PolarHBondContact O-N 3.45Å; I563-E566 PolarHBondContact O-N 2.98Å; L564-E566 VanDerWaalsContact C-N 3.35Å; E566-K569 WeakPolarHBondContact O-CB 3.46Å; E566-K569 PolarHBondContact O-N 3.28Å; E566-L570 HydrophobicContact CG-CD1 4.37Å; E566-L570 WeakPolarHBondContact O-CG 3.45Å; E566-L570 PolarHBondContact O-N 2.89Å |
| 567 | K | 97.8 | Very high | 97.5 | Very high | 129 Ų | 129 | 113.8 Ų | 113.8 | 56% | 0.561 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -58.9 | -50.5 | 172.5 | -176.1 | -166.3 | 170.5 | -166.7 | 0 | 111.7 | I563 L564 R565 K569 L570 E571 | I563-K567 WeakPolarHBondContact O-CB 3.43Å; I563-K567 PolarHBondContact O-N 2.88Å; L564-K567 WeakPolarHBondContact O-CB 3.46Å; L564-K567 PolarHBondContact O-N 3.26Å; R565-K567 VanDerWaalsContact C-N 3.32Å; K567-K569 VanDerWaalsContact C-N 3.26Å; K567-K569 PolarHBondContact O-N 3.42Å; K567-L570 PolarHBondContact O-N 3.33Å; K567-E571 WeakPolarHBondContact O-CB 3.37Å; K567-E571 PolarHBondContact O-N 2.93Å |
| 568 | E | 97.9 | Very high | 97.6 | Very high | 104 Ų | 104 | 117.1 Ų | 117.1 | 49% | 0.486 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -58.9 | -39.2 | 178 | -74.4 | 175.5 | 173.2 | 0 | 0 | 111.6 | L564 R565 E571 M572 | L564-E568 WeakPolarHBondContact O-CG 3.4Å; L564-E568 PolarHBondContact O-N 3.07Å; R565-E568 PolarHBondContact O-N 2.94Å; E568-E571 PolarHBondContact O-N 2.95Å; E568-M572 WeakPolarHBondContact O-CG 3.44Å; E568-M572 PolarHBondContact O-N 3.43Å |
| 569 | K | 98 | Very high | 97.7 | Very high | 138 Ų | 138 | 111.5 Ų | 111.5 | 60% | 0.6 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.1 | -49.6 | 175.9 | -176.7 | -174.3 | 174.8 | -169.2 | 0 | 112.1 | R565 E566 K567 E571 M572 E573 | R565-K569 WeakPolarHBondContact O-CB 3.37Å; R565-K569 PolarHBondContact O-N 3.37Å; E566-K569 WeakPolarHBondContact O-CB 3.46Å; E566-K569 PolarHBondContact O-N 3.28Å; K567-K569 VanDerWaalsContact C-N 3.26Å; K567-K569 PolarHBondContact O-N 3.42Å; K569-E571 VanDerWaalsContact C-N 3.26Å; K569-E571 PolarHBondContact O-N 3.36Å; K569-M572 PolarHBondContact O-N 3.29Å; K569-E573 PolarHBondContact O-N 2.95Å; K569-E573 VanDerWaalsContact O-N 3.07Å |
| 570 | L | 98 | Very high | 97.7 | Very high | 96 Ų | 96 | 107.3 Ų | 107.3 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.7 | -34.8 | 178.1 | -70.7 | 174 | 0 | 0 | 0 | 111.6 | E566 K567 E573 L574 | E566-L570 HydrophobicContact CG-CD1 4.37Å; E566-L570 WeakPolarHBondContact O-CG 3.45Å; E566-L570 PolarHBondContact O-N 2.89Å; K567-L570 PolarHBondContact O-N 3.33Å; L570-E573 PolarHBondContact O-N 3.39Å; L570-L574 VanDerWaalsContact O-CB 3.29Å; L570-L574 WeakPolarHBondContact O-CB 3.44Å; L570-L574 PolarHBondContact O-N 3.02Å |
| 571 | E | 97.8 | Very high | 97.8 | Very high | 101 Ų | 101 | 102 Ų | 102 | 47% | 0.472 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.3 | -42.8 | 175.4 | -175.9 | 168.7 | -166.5 | 0 | 0 | 112 | K567 E568 K569 L574 N575 | K567-E571 WeakPolarHBondContact O-CB 3.37Å; K567-E571 PolarHBondContact O-N 2.93Å; E568-E571 PolarHBondContact O-N 2.95Å; K569-E571 VanDerWaalsContact C-N 3.26Å; K569-E571 PolarHBondContact O-N 3.36Å; E571-L574 PolarHBondContact O-N 3.32Å; E571-N575 WeakPolarHBondContact O-CB 3.42Å; E571-N575 PolarHBondContact O-N 3.42Å; E571-N575 PolarHBondContact O-ND2 3.25Å |
| 572 | M | 97.4 | Very high | 97.8 | Very high | 129 Ų | 129 | 99.4 Ų | 99.4 | 64% | 0.635 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61 | -43.6 | 172.9 | -72.9 | -171.4 | -66.3 | 0 | 0 | 112.2 | E568 K569 N575 A576 | E568-M572 WeakPolarHBondContact O-CG 3.44Å; E568-M572 PolarHBondContact O-N 3.43Å; K569-M572 PolarHBondContact O-N 3.29Å; M572-N575 PolarHBondContact O-N 3.44Å; M572-A576 PolarHBondContact O-N 2.9Å |
| 573 | E | 97.5 | Very high | 97.8 | Very high | 110 Ų | 110 | 97.5 Ų | 97.5 | 51% | 0.514 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.4 | -44 | 178.4 | -173.7 | 173.7 | -179.9 | 0 | 0 | 111.8 | K569 L570 N575 A576 L577 | K569-E573 PolarHBondContact O-N 2.95Å; K569-E573 VanDerWaalsContact O-N 3.07Å; L570-E573 PolarHBondContact O-N 3.39Å; E573-N575 VanDerWaalsContact C-N 3.33Å; E573-N575 PolarHBondContact O-N 3.38Å; E573-A576 PolarHBondContact O-N 2.97Å; E573-L577 HydrophobicContact CG-CD1 4.44Å; E573-L577 WeakPolarHBondContact O-CG 3.41Å; E573-L577 PolarHBondContact O-N 3.25Å |
| 574 | L | 97.8 | Very high | 97.9 | Very high | 87 Ų | 87 | 99.8 Ų | 99.8 | 46% | 0.455 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 176.6 | -167.4 | 158.5 | 0 | 0 | 0 | 111.1 | L570 E571 L577 R578 | L570-L574 VanDerWaalsContact O-CB 3.29Å; L570-L574 WeakPolarHBondContact O-CB 3.44Å; L570-L574 PolarHBondContact O-N 3.02Å; E571-L574 PolarHBondContact O-N 3.32Å; L574-L577 PolarHBondContact O-N 3.36Å; L574-R578 HydrophobicContact CD2-CG 4.06Å; L574-R578 WeakPolarHBondContact O-CG 3.29Å; L574-R578 PolarHBondContact O-N 2.98Å |
| 575 | N | 97.9 | Very high | 97.9 | Very high | 84 Ų | 84 | 104 Ų | 104 | 45% | 0.449 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65 | -40.5 | 176.2 | -75.5 | -25.1 | 0 | 0 | 0 | 112.5 | E571 M572 E573 R578 S579 | E571-N575 WeakPolarHBondContact O-CB 3.42Å; E571-N575 PolarHBondContact O-N 3.42Å; E571-N575 PolarHBondContact O-ND2 3.25Å; M572-N575 PolarHBondContact O-N 3.44Å; E573-N575 VanDerWaalsContact C-N 3.33Å; E573-N575 PolarHBondContact O-N 3.38Å; N575-R578 PolarHBondContact O-N 3.41Å; N575-S579 PolarHBondContact O-N 2.93Å |
| 576 | A | 98.2 | Very high | 97.9 | Very high | 58 Ų | 58 | 103.2 Ų | 103.2 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | M572 E573 S579 T580 | M572-A576 PolarHBondContact O-N 2.9Å; E573-A576 PolarHBondContact O-N 2.97Å; A576-S579 PolarHBondContact O-N 2.93Å; A576-T580 PolarHBondContact O-N 3.38Å; A576-T580 PolarHBondContact O-OG1 3.15Å |
| 577 | L | 97.9 | Very high | 98 | Very high | 111 Ų | 111 | 102.4 Ų | 102.4 | 58% | 0.581 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.1 | -42.6 | 175.1 | -72.3 | 174.3 | 0 | 0 | 0 | 112 | E573 L574 T580 A581 | E573-L577 HydrophobicContact CG-CD1 4.44Å; E573-L577 WeakPolarHBondContact O-CG 3.41Å; E573-L577 PolarHBondContact O-N 3.25Å; L574-L577 PolarHBondContact O-N 3.36Å; L577-T580 PolarHBondContact O-N 2.96Å; L577-A581 WeakPolarHBondContact O-CB 3.28Å; L577-A581 PolarHBondContact O-N 3.45Å |
| 578 | R | 98 | Very high | 98 | Very high | 156 Ų | 156 | 100.5 Ų | 100.5 | 59% | 0.589 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -58.5 | -46.9 | 173.9 | -79.3 | -177.7 | 176.7 | -176.5 | 3.6 | 111.9 | L574 N575 T580 A581 D582 | L574-R578 HydrophobicContact CD2-CG 4.06Å; L574-R578 WeakPolarHBondContact O-CG 3.29Å; L574-R578 PolarHBondContact O-N 2.98Å; N575-R578 PolarHBondContact O-N 3.41Å; R578-T580 VanDerWaalsContact C-N 3.29Å; R578-T580 PolarHBondContact O-N 3.36Å; R578-A581 PolarHBondContact O-N 2.95Å; R578-A581 VanDerWaalsContact O-N 3.15Å; R578-D582 PolarHBondContact O-N 3.04Å |
| 579 | S | 98.1 | Very high | 98 | Very high | 63 Ų | 63 | 100.8 Ų | 100.8 | 44% | 0.441 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.5 | -43.8 | 176.5 | -172.1 | 0 | 0 | 0 | 0 | 111.7 | N575 A576 A581 D582 D583 | N575-S579 PolarHBondContact O-N 2.93Å; A576-S579 PolarHBondContact O-N 2.93Å; S579-A581 PolarHBondContact O-N 2.88Å; S579-D582 PolarHBondContact O-N 2.98Å; S579-D583 PolarHBondContact O-N 2.62Å |
| 580 | T | 98.1 | Very high | 98 | Very high | 72 Ų | 72 | 99.2 Ų | 99.2 | 44% | 0.442 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.4 | -40.6 | 178.1 | -53.3 | 0 | 0 | 0 | 0 | 111.6 | A576 L577 R578 D583 Q584 | A576-T580 PolarHBondContact O-N 3.38Å; A576-T580 PolarHBondContact O-OG1 3.15Å; L577-T580 PolarHBondContact O-N 2.96Å; R578-T580 VanDerWaalsContact C-N 3.29Å; R578-T580 PolarHBondContact O-N 3.36Å; T580-D583 PolarHBondContact O-N 2.91Å; T580-Q584 VanDerWaalsContact O-CG 3.28Å; T580-Q584 WeakPolarHBondContact O-CG 3.4Å; T580-Q584 PolarHBondContact O-N 3.49Å |
| 581 | A | 98.1 | Very high | 98 | Very high | 38 Ų | 38 | 102.6 Ų | 102.6 | 31% | 0.314 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.4 | -39.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L577 R578 S579 Q584 R585 | L577-A581 WeakPolarHBondContact O-CB 3.28Å; L577-A581 PolarHBondContact O-N 3.45Å; R578-A581 PolarHBondContact O-N 2.95Å; R578-A581 VanDerWaalsContact O-N 3.15Å; S579-A581 PolarHBondContact O-N 2.88Å; A581-Q584 PolarHBondContact O-N 2.94Å; A581-R585 WeakPolarHBondContact O-CG 3.49Å; A581-R585 PolarHBondContact O-N 2.88Å |
| 582 | D | 97.9 | Very high | 98 | Very high | 81 Ų | 81 | 101.5 Ų | 101.5 | 43% | 0.433 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.2 | -39.6 | 175.7 | -72.8 | -20.8 | 0 | 0 | 0 | 111.6 | R578 S579 R585 R586 | R578-D582 PolarHBondContact O-N 3.04Å; S579-D582 PolarHBondContact O-N 2.98Å; D582-R585 PolarHBondContact O-N 3.42Å; D582-R586 WeakPolarHBondContact O-CG 3.5Å; D582-R586 PolarHBondContact O-N 3.27Å |
| 583 | D | 97.9 | Very high | 98 | Very high | 63 Ų | 63 | 100.9 Ų | 100.9 | 34% | 0.337 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 170.7 | -83.4 | -33.2 | 0 | 0 | 0 | 111.5 | S579 T580 R585 R586 H587 | S579-D583 PolarHBondContact O-N 2.62Å; T580-D583 PolarHBondContact O-N 2.91Å; D583-R585 VanDerWaalsContact C-N 3.33Å; D583-R585 PolarHBondContact O-N 3.29Å; D583-R586 WeakPolarHBondContact O-CB 3.31Å; D583-R586 PolarHBondContact O-N 3.34Å; D583-R586 IonicContact OD1-CZ 3.35Å; D583-R586 IonicContact OD1-NE 3.34Å; D583-R586 PolarHBondContact OD1-NE 3.45Å; D583-R586 IonicContact OD1-NH2 2.62Å; D583-R586 PolarHBondContact OD1-NH2 3.2Å; D583-H587 PolarHBondContact O-CD2 3.17Å; D583-H587 PolarHBondContact O-N 3.34Å |
| 584 | Q | 98.2 | Very high | 98 | Very high | 117 Ų | 117 | 98.5 Ų | 98.5 | 55% | 0.547 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 175.3 | -73.2 | 174 | -2.9 | 0 | 0 | 111.9 | T580 A581 H587 I588 | T580-Q584 VanDerWaalsContact O-CG 3.28Å; T580-Q584 WeakPolarHBondContact O-CG 3.4Å; T580-Q584 PolarHBondContact O-N 3.49Å; A581-Q584 PolarHBondContact O-N 2.94Å; Q584-H587 WeakPolarHBondContact O-CB 3.36Å; Q584-H587 PolarHBondContact O-N 3.23Å; Q584-I588 VanDerWaalsContact O-CG1 3.31Å; Q584-I588 WeakPolarHBondContact O-CG1 3.49Å; Q584-I588 PolarHBondContact O-N 3.44Å |
| 585 | R | 98.3 | Very high | 98 | Very high | 182 Ų | 182 | 99.2 Ų | 99.2 | 69% | 0.687 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.5 | -46.3 | 174.8 | -75.9 | 176.3 | -179 | -126.4 | 1.7 | 111.8 | A581 D582 D583 H587 I588 E589 | A581-R585 WeakPolarHBondContact O-CG 3.49Å; A581-R585 PolarHBondContact O-N 2.88Å; D582-R585 PolarHBondContact O-N 3.42Å; D583-R585 VanDerWaalsContact C-N 3.33Å; D583-R585 PolarHBondContact O-N 3.29Å; R585-H587 VanDerWaalsContact C-N 3.32Å; R585-H587 PolarHBondContact O-N 3.34Å; R585-I588 PolarHBondContact O-N 3.3Å; R585-E589 PolarHBondContact O-N 2.88Å |
| 586 | R | 98.3 | Very high | 98 | Very high | 128 Ų | 128 | 100 Ų | 100 | 48% | 0.483 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.7 | -43.7 | 174.4 | -74.7 | -169.4 | -76.6 | -104.6 | 10.2 | 111.6 | D582 D583 I588 E589 I590 | D582-R586 WeakPolarHBondContact O-CG 3.5Å; D582-R586 PolarHBondContact O-N 3.27Å; D583-R586 WeakPolarHBondContact O-CB 3.31Å; D583-R586 PolarHBondContact O-N 3.34Å; D583-R586 IonicContact OD1-CZ 3.35Å; D583-R586 IonicContact OD1-NE 3.34Å; D583-R586 PolarHBondContact OD1-NE 3.45Å; D583-R586 IonicContact OD1-NH2 2.62Å; D583-R586 PolarHBondContact OD1-NH2 3.2Å; R586-I588 VanDerWaalsContact C-N 3.33Å; R586-I588 PolarHBondContact O-N 2.99Å; R586-E589 PolarHBondContact O-N 2.85Å; R586-I590 VanDerWaalsContact O-CG1 3.32Å; R586-I590 WeakPolarHBondContact O-CG1 3.37Å; R586-I590 PolarHBondContact O-N 2.93Å |
| 587 | H | 98.3 | Very high | 98 | Very high | 104 Ų | 104 | 101.2 Ų | 101.2 | 48% | 0.481 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.3 | -39 | 176.7 | -74.7 | -58.9 | 0 | 0 | 0 | 112.7 | D583 Q584 R585 R591 | D583-H587 PolarHBondContact O-CD2 3.17Å; D583-H587 PolarHBondContact O-N 3.34Å; Q584-H587 WeakPolarHBondContact O-CB 3.36Å; Q584-H587 PolarHBondContact O-N 3.23Å; R585-H587 VanDerWaalsContact C-N 3.32Å; R585-H587 PolarHBondContact O-N 3.34Å; H587-R591 WeakPolarHBondContact O-CG 3.41Å; H587-R591 PolarHBondContact O-N 2.93Å |
| 588 | I | 97.8 | Very high | 97.9 | Very high | 89 Ų | 89 | 98.4 Ų | 98.4 | 46% | 0.456 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.1 | -48.8 | 174.4 | -68.3 | 163.5 | 0 | 0 | 0 | 109.9 | Q584 R585 R586 I590 R591 D592 | Q584-I588 VanDerWaalsContact O-CG1 3.31Å; Q584-I588 WeakPolarHBondContact O-CG1 3.49Å; Q584-I588 PolarHBondContact O-N 3.44Å; R585-I588 PolarHBondContact O-N 3.3Å; R586-I588 VanDerWaalsContact C-N 3.33Å; R586-I588 PolarHBondContact O-N 2.99Å; I588-I590 VanDerWaalsContact C-N 3.32Å; I588-I590 PolarHBondContact O-N 3.24Å; I588-R591 CarbonylContact O-C 3.6Å; I588-R591 WeakPolarHBondContact O-CA 3.33Å; I588-R591 WeakPolarHBondContact O-CB 3.43Å; I588-R591 PolarHBondContact O-N 3.49Å; I588-D592 PolarHBondContact O-N 3.32Å |
| 589 | E | 97.9 | Very high | 97.8 | Very high | 110 Ų | 110 | 96.6 Ų | 96.6 | 51% | 0.514 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -56.8 | -44.3 | 179.6 | -176.8 | 179.5 | -166.2 | 0 | 0 | 112.3 | R585 R586 R591 D592 Q593 | R585-E589 PolarHBondContact O-N 2.88Å; R586-E589 PolarHBondContact O-N 2.85Å; E589-R591 VanDerWaalsContact C-N 3.32Å; E589-R591 PolarHBondContact O-N 3.29Å; E589-D592 PolarHBondContact O-N 2.89Å; E589-Q593 VanDerWaalsContact O-CG 3.32Å; E589-Q593 WeakPolarHBondContact O-CG 3.32Å; E589-Q593 PolarHBondContact O-N 2.85Å |
| 590 | I | 98.1 | Very high | 97.8 | Very high | 104 Ų | 104 | 96.5 Ų | 96.5 | 53% | 0.533 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 176.3 | -67.3 | 165.7 | 0 | 0 | 0 | 111 | R586 I588 Q593 A594 | R586-I590 VanDerWaalsContact O-CG1 3.32Å; R586-I590 WeakPolarHBondContact O-CG1 3.37Å; R586-I590 PolarHBondContact O-N 2.93Å; I588-I590 VanDerWaalsContact C-N 3.32Å; I588-I590 PolarHBondContact O-N 3.24Å; I590-Q593 PolarHBondContact O-N 3.24Å; I590-A594 WeakPolarHBondContact O-CB 3.32Å; I590-A594 PolarHBondContact O-N 3.37Å |
| 591 | R | 98.1 | Very high | 97.7 | Very high | 167 Ų | 167 | 99 Ų | 99 | 63% | 0.63 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.1 | -43.1 | 176.9 | -74.1 | 174.6 | -178.3 | 156.6 | 2 | 111.4 | H587 I588 E589 Q593 A594 L595 | H587-R591 WeakPolarHBondContact O-CG 3.41Å; H587-R591 PolarHBondContact O-N 2.93Å; I588-R591 CarbonylContact O-C 3.6Å; I588-R591 WeakPolarHBondContact O-CA 3.33Å; I588-R591 WeakPolarHBondContact O-CB 3.43Å; I588-R591 PolarHBondContact O-N 3.49Å; E589-R591 VanDerWaalsContact C-N 3.32Å; E589-R591 PolarHBondContact O-N 3.29Å; R591-Q593 VanDerWaalsContact C-N 3.34Å; R591-Q593 PolarHBondContact O-N 2.85Å; R591-A594 PolarHBondContact O-N 3.43Å; R591-L595 WeakPolarHBondContact O-CB 3.48Å; R591-L595 WeakPolarHBondContact O-CG 3.45Å; R591-L595 PolarHBondContact O-N 3.01Å |
| 592 | D | 98.1 | Very high | 97.5 | Very high | 78 Ų | 78 | 100.7 Ų | 100.7 | 42% | 0.417 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.9 | -40 | 177.4 | -69.8 | -19.9 | 0 | 0 | 0 | 111.2 | I588 E589 L595 N596 | I588-D592 PolarHBondContact O-N 3.32Å; E589-D592 PolarHBondContact O-N 2.89Å; D592-L595 PolarHBondContact O-N 2.93Å; D592-N596 WeakPolarHBondContact O-CB 3.41Å; D592-N596 PolarHBondContact O-N 3.44Å; D592-N596 PolarHBondContact O-ND2 3.42Å |
| 593 | Q | 97.7 | Very high | 97.4 | Very high | 116 Ų | 116 | 100.3 Ų | 100.3 | 54% | 0.542 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 173.1 | -72.8 | 177.7 | 16.5 | 0 | 0 | 111.9 | E589 I590 R591 N596 N597 | E589-Q593 VanDerWaalsContact O-CG 3.32Å; E589-Q593 WeakPolarHBondContact O-CG 3.32Å; E589-Q593 PolarHBondContact O-N 2.85Å; I590-Q593 PolarHBondContact O-N 3.24Å; R591-Q593 VanDerWaalsContact C-N 3.34Å; R591-Q593 PolarHBondContact O-N 2.85Å; Q593-N596 PolarHBondContact O-N 2.95Å; Q593-N597 WeakPolarHBondContact O-CB 3.47Å; Q593-N597 PolarHBondContact O-N 3.45Å |
| 594 | A | 97.8 | Very high | 97.2 | Very high | 60 Ų | 60 | 103.5 Ų | 103.5 | 50% | 0.496 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I590 R591 N597 A598 | I590-A594 WeakPolarHBondContact O-CB 3.32Å; I590-A594 PolarHBondContact O-N 3.37Å; R591-A594 PolarHBondContact O-N 3.43Å; A594-N597 PolarHBondContact O-N 2.98Å; A594-A598 WeakPolarHBondContact O-CB 3.34Å; A594-A598 PolarHBondContact O-N 2.91Å |
| 595 | L | 97.9 | Very high | 96.9 | Very high | 102 Ų | 102 | 102.8 Ų | 102.8 | 53% | 0.534 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.8 | -49 | 174.9 | -76.2 | 171.2 | 0 | 0 | 0 | 111.3 | R591 D592 N597 A598 Q599 | R591-L595 WeakPolarHBondContact O-CB 3.48Å; R591-L595 WeakPolarHBondContact O-CG 3.45Å; R591-L595 PolarHBondContact O-N 3.01Å; D592-L595 PolarHBondContact O-N 2.93Å; L595-N597 VanDerWaalsContact C-N 3.32Å; L595-N597 PolarHBondContact O-N 3.46Å; L595-A598 PolarHBondContact O-N 2.9Å; L595-Q599 WeakPolarHBondContact O-CB 3.48Å; L595-Q599 WeakPolarHBondContact O-CG 3.36Å; L595-Q599 PolarHBondContact O-N 2.84Å |
| 596 | N | 97.7 | Very high | 96.6 | Very high | 100 Ų | 100 | 99.1 Ų | 99.1 | 54% | 0.535 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.1 | -42.1 | 175.8 | -80.2 | -56.2 | 0 | 0 | 0 | 111.8 | D592 Q593 Q599 A600 | D592-N596 WeakPolarHBondContact O-CB 3.41Å; D592-N596 PolarHBondContact O-N 3.44Å; D592-N596 PolarHBondContact O-ND2 3.42Å; Q593-N596 PolarHBondContact O-N 2.95Å; N596-Q599 PolarHBondContact O-N 3.05Å; N596-A600 WeakPolarHBondContact O-CB 3.4Å; N596-A600 PolarHBondContact O-N 2.89Å |
| 597 | N | 97.6 | Very high | 96.2 | Very high | 85 Ų | 85 | 97.4 Ų | 97.4 | 46% | 0.455 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -42.4 | 177 | -170.5 | -90.3 | 0 | 0 | 0 | 112.4 | Q593 A594 L595 A600 K601 | Q593-N597 WeakPolarHBondContact O-CB 3.47Å; Q593-N597 PolarHBondContact O-N 3.45Å; A594-N597 PolarHBondContact O-N 2.98Å; L595-N597 VanDerWaalsContact C-N 3.32Å; L595-N597 PolarHBondContact O-N 3.46Å; N597-A600 PolarHBondContact O-N 3.4Å; N597-K601 WeakPolarHBondContact O-CG 3.38Å; N597-K601 PolarHBondContact O-N 2.87Å; N597-K601 WeakPolarHBondContact OD1-CE 3.37Å; N597-K601 PolarHBondContact OD1-NZ 3.36Å |
| 598 | A | 97 | Very high | 95.7 | Very high | 52 Ų | 52 | 96.7 Ų | 96.7 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.5 | -45.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | A594 L595 A600 K601 V602 | A594-A598 WeakPolarHBondContact O-CB 3.34Å; A594-A598 PolarHBondContact O-N 2.91Å; L595-A598 PolarHBondContact O-N 2.9Å; A598-A600 PolarHBondContact O-N 3.48Å; A598-K601 WeakPolarHBondContact O-CB 3.42Å; A598-K601 PolarHBondContact O-N 3.26Å; A598-V602 WeakPolarHBondContact O-CG2 3.44Å; A598-V602 PolarHBondContact O-N 3.07Å |
| 599 | Q | 96.1 | Very high | 95 | Very high | 117 Ų | 117 | 97.2 Ų | 97.2 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.9 | -45.7 | 175.4 | -73.2 | 174.3 | -13.4 | 0 | 0 | 111.8 | L595 N596 K601 V602 V603 | L595-Q599 WeakPolarHBondContact O-CB 3.48Å; L595-Q599 WeakPolarHBondContact O-CG 3.36Å; L595-Q599 PolarHBondContact O-N 2.84Å; N596-Q599 PolarHBondContact O-N 3.05Å; Q599-K601 VanDerWaalsContact C-N 3.31Å; Q599-K601 PolarHBondContact O-N 2.83Å; Q599-V602 PolarHBondContact O-N 2.95Å; Q599-V602 VanDerWaalsContact O-N 3.16Å; Q599-V603 WeakPolarHBondContact O-CG2 3.39Å; Q599-V603 PolarHBondContact O-N 3.16Å |
| 600 | A | 96.4 | Very high | 94.4 | Very high | 61 Ų | 61 | 100.9 Ų | 100.9 | 50% | 0.504 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.3 | -39 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | N596 N597 A598 K604 | N596-A600 WeakPolarHBondContact O-CB 3.4Å; N596-A600 PolarHBondContact O-N 2.89Å; N597-A600 PolarHBondContact O-N 3.4Å; A598-A600 PolarHBondContact O-N 3.48Å; A600-K604 WeakPolarHBondContact O-CB 3.17Å; A600-K604 PolarHBondContact O-N 2.96Å; A600-K604 VanDerWaalsContact O-N 3.07Å |
| 601 | K | 95.9 | Very high | 93.6 | Very high | 125 Ų | 125 | 104.1 Ų | 104.1 | 54% | 0.543 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.5 | -42.9 | 173.6 | -76.9 | 169.5 | 174.5 | 159.3 | 0 | 112.2 | N597 A598 Q599 K604 L605 | N597-K601 WeakPolarHBondContact O-CG 3.38Å; N597-K601 PolarHBondContact O-N 2.87Å; N597-K601 WeakPolarHBondContact OD1-CE 3.37Å; N597-K601 PolarHBondContact OD1-NZ 3.36Å; A598-K601 WeakPolarHBondContact O-CB 3.42Å; A598-K601 PolarHBondContact O-N 3.26Å; Q599-K601 VanDerWaalsContact C-N 3.31Å; Q599-K601 PolarHBondContact O-N 2.83Å; K601-K604 PolarHBondContact O-N 3.37Å; K601-L605 WeakPolarHBondContact O-CG 3.47Å; K601-L605 PolarHBondContact O-N 3.33Å |
| 602 | V | 95.4 | Very high | 92.1 | Very high | 74 Ų | 74 | 105.6 Ų | 105.6 | 45% | 0.448 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.2 | -49.8 | 176.5 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | A598 Q599 K604 L605 E606 | A598-V602 WeakPolarHBondContact O-CG2 3.44Å; A598-V602 PolarHBondContact O-N 3.07Å; Q599-V602 PolarHBondContact O-N 2.95Å; Q599-V602 VanDerWaalsContact O-N 3.16Å; V602-K604 VanDerWaalsContact C-N 3.3Å; V602-K604 PolarHBondContact O-N 3.24Å; V602-L605 PolarHBondContact O-N 3.1Å; V602-L605 VanDerWaalsContact O-N 3.1Å; V602-E606 HydrophobicContact CG1-CG 4.28Å; V602-E606 WeakPolarHBondContact O-CG 3.5Å; V602-E606 PolarHBondContact O-N 2.97Å |
| 603 | V | 94.9 | Very high | 91.8 | Very high | 73 Ų | 73 | 107 Ų | 107 | 44% | 0.442 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -56.8 | -44.4 | 177.5 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | Q599 L605 E606 E607 | Q599-V603 WeakPolarHBondContact O-CG2 3.39Å; Q599-V603 PolarHBondContact O-N 3.16Å; V603-L605 PolarHBondContact O-N 2.86Å; V603-E606 WeakPolarHBondContact O-CB 3.42Å; V603-E606 PolarHBondContact O-N 3.31Å; V603-E607 WeakPolarHBondContact O-CG 3.48Å; V603-E607 PolarHBondContact O-N 2.95Å |
| 604 | K | 93.3 | Very high | 91.5 | Very high | 129 Ų | 129 | 106.5 Ų | 106.5 | 56% | 0.561 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -61.9 | -43.1 | 177 | -170.7 | -176.9 | 177.3 | -169.8 | 0 | 112.3 | A600 K601 V602 E607 E608 | A600-K604 WeakPolarHBondContact O-CB 3.17Å; A600-K604 PolarHBondContact O-N 2.96Å; A600-K604 VanDerWaalsContact O-N 3.07Å; K601-K604 PolarHBondContact O-N 3.37Å; V602-K604 VanDerWaalsContact C-N 3.3Å; V602-K604 PolarHBondContact O-N 3.24Å; K604-E607 WeakPolarHBondContact O-CB 3.43Å; K604-E607 PolarHBondContact O-N 3.5Å; K604-E608 VanDerWaalsContact CE-OE1 3.31Å; K604-E608 WeakPolarHBondContact CE-OE1 3.4Å; K604-E608 WeakPolarHBondContact O-CG 3.34Å; K604-E608 PolarHBondContact O-N 2.94Å |
| 605 | L | 92.3 | Very high | 91.2 | Very high | 102 Ų | 102 | 109.1 Ų | 109.1 | 53% | 0.534 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.5 | -38.5 | 175.7 | -71.5 | 171.8 | 0 | 0 | 0 | 111.8 | K601 V602 V603 E607 E608 V609 | K601-L605 WeakPolarHBondContact O-CG 3.47Å; K601-L605 PolarHBondContact O-N 3.33Å; V602-L605 PolarHBondContact O-N 3.1Å; V602-L605 VanDerWaalsContact O-N 3.1Å; V603-L605 PolarHBondContact O-N 2.86Å; L605-E607 VanDerWaalsContact C-N 3.32Å; L605-E607 PolarHBondContact O-N 3.24Å; L605-E608 PolarHBondContact O-N 3.47Å; L605-V609 WeakPolarHBondContact O-CG2 3.39Å; L605-V609 PolarHBondContact O-N 3.47Å |
| 606 | E | 91.5 | Very high | 90.8 | Very high | 105 Ų | 105 | 109.5 Ų | 109.5 | 49% | 0.491 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.9 | -38.9 | 173.5 | -71.9 | 176.3 | 171.2 | 0 | 0 | 111.8 | V602 V603 R610 | V602-E606 HydrophobicContact CG1-CG 4.28Å; V602-E606 WeakPolarHBondContact O-CG 3.5Å; V602-E606 PolarHBondContact O-N 2.97Å; V603-E606 WeakPolarHBondContact O-CB 3.42Å; V603-E606 PolarHBondContact O-N 3.31Å; E606-R610 WeakPolarHBondContact O-CB 3.31Å; E606-R610 PolarHBondContact O-N 3.44Å |
| 607 | E | 90.9 | Very high | 90.3 | Very high | 93 Ų | 93 | 110.1 Ų | 110.1 | 44% | 0.435 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -67.4 | -37.8 | 173.3 | -72.4 | 178.5 | -178.7 | 0 | 0 | 112.9 | V603 K604 L605 K611 | V603-E607 WeakPolarHBondContact O-CG 3.48Å; V603-E607 PolarHBondContact O-N 2.95Å; K604-E607 WeakPolarHBondContact O-CB 3.43Å; K604-E607 PolarHBondContact O-N 3.5Å; L605-E607 VanDerWaalsContact C-N 3.32Å; L605-E607 PolarHBondContact O-N 3.24Å; E607-K611 WeakPolarHBondContact O-CG 3.49Å; E607-K611 PolarHBondContact O-N 3.04Å |
| 608 | E | 87.8 | Confident | 89.9 | Confident | 89 Ų | 89 | 111.8 Ų | 111.8 | 42% | 0.416 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -67.5 | -42.9 | 175.3 | -74.1 | 174.2 | -168.5 | 0 | 0 | 111.5 | K604 L605 R610 K611 | K604-E608 VanDerWaalsContact CE-OE1 3.31Å; K604-E608 WeakPolarHBondContact CE-OE1 3.4Å; K604-E608 WeakPolarHBondContact O-CG 3.34Å; K604-E608 PolarHBondContact O-N 2.94Å; L605-E608 PolarHBondContact O-N 3.47Å; E608-R610 VanDerWaalsContact C-N 3.33Å; E608-R610 PolarHBondContact O-N 3.19Å; E608-K611 PolarHBondContact O-N 3.46Å |
| 609 | V | 83.8 | Confident | 89.4 | Confident | 100 Ų | 100 | 116.1 Ų | 116.1 | 61% | 0.606 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.8 | -38.4 | 174.7 | 170 | 0 | 0 | 0 | 0 | 111.5 | L605 K611 I612 | L605-V609 WeakPolarHBondContact O-CG2 3.39Å; L605-V609 PolarHBondContact O-N 3.47Å; V609-K611 PolarHBondContact O-N 3.25Å; V609-I612 PolarHBondContact O-N 3.24Å |
| 610 | R | 84.9 | Confident | 88.8 | Confident | 187 Ų | 187 | 116 Ų | 116 | 71% | 0.706 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.1 | -17.1 | 178 | -163.6 | -178.6 | -61.6 | 139.9 | 5.2 | 113.6 | E606 E608 | E606-R610 WeakPolarHBondContact O-CB 3.31Å; E606-R610 PolarHBondContact O-N 3.44Å; E608-R610 VanDerWaalsContact C-N 3.33Å; E608-R610 PolarHBondContact O-N 3.19Å |
| 611 | K | 80.4 | Confident | 88.2 | Confident | 171 Ų | 171 | 120.6 Ų | 120.6 | 74% | 0.743 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -12.4 | 178.2 | -72.6 | 170.6 | -175.8 | 170.5 | 0 | 113.5 | E607 E608 V609 | E607-K611 WeakPolarHBondContact O-CG 3.49Å; E607-K611 PolarHBondContact O-N 3.04Å; E608-K611 PolarHBondContact O-N 3.46Å; V609-K611 PolarHBondContact O-N 3.25Å |
| 612 | I | 67.4 | Low | 87.5 | Confident | 199 Ų | 199 | 120.2 Ų | 120.2 | 100% | 1.021 | 58% | 0.582 | S | S | * | * | trans | -91.6 | 0 | 173.7 | -58.5 | 172.9 | 0 | 0 | 0 | 107.7 | V609 | V609-I612 PolarHBondContact O-N 3.24Š|
Retrieved 612 of 612 residues in 384.8 ms
(Link to these results)