| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 54.7 | Low | 73.7 | Confident | 233 Ų | 233 | 160.8 Ų | 160.8 | 100% | 1.148 | 82% | 0.824 | S | S | * | * | 0 | 98.6 | 0 | -54.8 | -69.7 | -172.6 | 0 | 0 | 106.3 | T3 | M1-T3 PolarHBondContact O-N 2.88Š| |||
| 2 | E | 61.8 | Low | 74.5 | Confident | 196 Ų | 196 | 157.8 Ų | 157.8 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | trans | -75.9 | 110.2 | 179.7 | -169.6 | 166.7 | 113.8 | 0 | 0 | 108 | G4 | E2-G4 VanDerWaalsContact C-N 3.25Å; E2-G4 PolarHBondContact O-N 3.31Å | ||
| 3 | T | 63.5 | Low | 75.2 | Confident | 139 Ų | 139 | 155.3 Ų | 155.3 | 85% | 0.853 | 81% | 0.814 | S | S | * | * | trans | -76.7 | 84.5 | -179.1 | 52.8 | 0 | 0 | 0 | 0 | 108.8 | M1 | M1-T3 PolarHBondContact O-N 2.88Š| ||
| 4 | G | 61.7 | Low | 75.3 | Confident | 59 Ų | 59 | 151.3 Ų | 151.3 | 61% | 0.608 | 80% | 0.802 | S | S | * | * | trans | -66.1 | 144.6 | -172.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | E2 | E2-G4 VanDerWaalsContact C-N 3.25Å; E2-G4 PolarHBondContact O-N 3.31Å | ||
| 5 | S | 76.8 | Confident | 75.2 | Confident | 105 Ų | 105 | 152.5 Ų | 152.5 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | 54.8 | 127 | 154.4 | -155.4 | 0 | 0 | 0 | 0 | 119.5 | R7 | S5-R7 PolarHBondContact O-N 3.39Å; S5-R7 VanDerWaalsContact O-N 3.15Å | ||
| 6 | P | 79.6 | Confident | 74.8 | Confident | 123 Ų | 123 | 152.2 Ų | 152.2 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 119.7 | 174.7 | -18.5 | 29 | 0 | 0 | 0 | 111.1 | K8 | P6-K8 PolarHBondContact O-N 3.15Š|
| 7 | R | 82.1 | Confident | 74.3 | Confident | 236 Ų | 236 | 152.3 Ų | 152.3 | 89% | 0.891 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 123.9 | 177.3 | -72.3 | -177.6 | 169.8 | -166.6 | -3.2 | 109.7 | S5 I9 | S5-R7 PolarHBondContact O-N 3.39Å; S5-R7 VanDerWaalsContact O-N 3.15Å; R7-I9 PolarHBondContact O-N 3.36Å |
| 8 | K | 82.8 | Confident | 73.9 | Confident | 197 Ų | 197 | 151.1 Ų | 151.1 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73 | 118.6 | 170 | -70.1 | -178.1 | 68.9 | 177.2 | 0 | 108.7 | P6 | P6-K8 PolarHBondContact O-N 3.15Š|
| 9 | I | 82.3 | Confident | 73.7 | Confident | 131 Ų | 131 | 152.1 Ų | 152.1 | 67% | 0.672 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 128.9 | 170.5 | -56.4 | 171.2 | 0 | 0 | 0 | 107 | R7 F11 | R7-I9 PolarHBondContact O-N 3.36Å; I9-F11 HydrophobicContact CB-CE2 4.22Å; I9-F11 HydrophobicContact CG2-CD2 4.24Å; I9-F11 HydrophobicContact CG2-CE1 4.18Å; I9-F11 HydrophobicContact CG2-CE2 3.79Å; I9-F11 HydrophobicContact CG2-CZ 3.77Å |
| 10 | Q | 83.6 | Confident | 73.5 | Confident | 169 Ų | 169 | 150.2 Ų | 150.2 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | trans | -101.4 | 112.6 | 172.8 | -65.3 | -175.7 | 21.3 | 0 | 0 | 107.9 | ||||
| 11 | F | 81.8 | Confident | 73.9 | Confident | 181 Ų | 181 | 147.5 Ų | 147.5 | 79% | 0.794 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 121.1 | 170.2 | -65.5 | -81.3 | 0 | 0 | 0 | 108.1 | I9 | I9-F11 HydrophobicContact CB-CE2 4.22Å; I9-F11 HydrophobicContact CG2-CD2 4.24Å; I9-F11 HydrophobicContact CG2-CE1 4.18Å; I9-F11 HydrophobicContact CG2-CE2 3.79Å; I9-F11 HydrophobicContact CG2-CZ 3.77Å |
| 12 | T | 83.1 | Confident | 75 | Confident | 124 Ų | 124 | 141 Ų | 141 | 76% | 0.761 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 128.9 | 168.7 | 54.7 | 0 | 0 | 0 | 0 | 107.7 | P14 | T12-P14 WeakPolarHBondContact O-CD 3.44Š|
| 13 | V | 83.3 | Confident | 76 | Confident | 126 Ų | 126 | 138.9 Ų | 138.9 | 76% | 0.764 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 121 | 174.4 | 173.8 | 0 | 0 | 0 | 0 | 107 | L15 | V13-L15 PolarHBondContact O-N 3.29Š|
| 14 | P | 77.5 | Confident | 76.9 | Confident | 99 Ų | 99 | 133.9 Ų | 133.9 | 64% | 0.643 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 127.1 | 173 | -19.3 | 31.5 | 0 | 0 | 0 | 109.2 | T12 L16 | T12-P14 WeakPolarHBondContact O-CD 3.44Å; P14-L16 PolarHBondContact O-N 3.49Å |
| 15 | L | 73.8 | Confident | 77.8 | Confident | 169 Ų | 169 | 132.8 Ų | 132.8 | 89% | 0.885 | 70% | 0.704 | S | S | * | * | trans | -69.1 | 101.5 | 170.8 | -62.7 | 175.6 | 0 | 0 | 0 | 106.8 | V13 | V13-L15 PolarHBondContact O-N 3.29Š| ||
| 16 | L | 68.7 | Low | 78 | Confident | 148 Ų | 148 | 133.7 Ų | 133.7 | 78% | 0.775 | 70% | 0.697 | S | S | * | * | trans | -75.5 | 129.7 | 171.7 | -63.4 | 177.1 | 0 | 0 | 0 | 108.1 | P14 T18 | P14-L16 PolarHBondContact O-N 3.49Å; L16-T18 PolarHBondContact O-N 3.37Å | ||
| 17 | D | 66.8 | Low | 78.4 | Confident | 154 Ų | 154 | 132.7 Ų | 132.7 | 82% | 0.824 | 68% | 0.682 | S | S | * | * | trans | -61.6 | 110.3 | 171.6 | -75.9 | -40.2 | 0 | 0 | 0 | 108.7 | H19 | D17-H19 PolarHBondContact O-N 3.3Å; D17-H19 VanDerWaalsContact O-N 3.16Å | ||
| 18 | T | 66.3 | Low | 78.3 | Confident | 131 Ų | 131 | 124.4 Ų | 124.4 | 80% | 0.804 | 65% | 0.654 | S | S | * | * | trans | -72.3 | -0.6 | 178.6 | 50.1 | 0 | 0 | 0 | 0 | 112.8 | L16 L20 | L16-T18 PolarHBondContact O-N 3.37Å; T18-L20 PolarHBondContact O-N 3.21Å | ||
| 19 | H | 69.9 | Low | 78.3 | Confident | 169 Ų | 169 | 120.5 Ų | 120.5 | 78% | 0.782 | 63% | 0.634 | S | S | * | * | trans | -86.1 | 53.7 | -175.2 | -158.8 | -80 | 0 | 0 | 0 | 112 | D17 | D17-H19 PolarHBondContact O-N 3.3Å; D17-H19 VanDerWaalsContact O-N 3.16Å | ||
| 20 | L | 69.1 | Low | 78.4 | Confident | 114 Ų | 114 | 124.8 Ų | 124.8 | 60% | 0.597 | 64% | 0.642 | S | S | * | * | trans | -69.5 | 139.6 | 157.5 | -73 | 160.3 | 0 | 0 | 0 | 107.6 | T18 | T18-L20 PolarHBondContact O-N 3.21Š| ||
| 21 | D | 82.8 | Confident | 78.6 | Confident | 95 Ų | 95 | 125.7 Ų | 125.7 | 51% | 0.508 | 64% | 0.638 | S | S | . | * | trans | -49.3 | 128.6 | 176 | -178 | -13.8 | 0 | 0 | 0 | 110.1 | E23 A24 A25 | D21-E23 PolarHBondContact O-N 3.18Å; D21-E23 VanDerWaalsContact O-N 3.11Å; D21-E23 PolarHBondContact OD1-N 3.01Å; D21-E23 VanDerWaalsContact OD1-N 3.08Å; D21-A24 HydrophobicContact CB-CB 4Å; D21-A24 WeakPolarHBondContact O-CA 3.34Å; D21-A24 WeakPolarHBondContact O-CB 3.48Å; D21-A24 PolarHBondContact O-N 3.47Å; D21-A25 PolarHBondContact O-N 3.04Å | ||
| 22 | P | 78.5 | Confident | 78.6 | Confident | 96 Ų | 96 | 123.5 Ų | 123.5 | 62% | 0.623 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -46.7 | -39 | 177 | -30.1 | 34.4 | 0 | 0 | 0 | 113.8 | A25 E26 | P22-A25 PolarHBondContact O-N 3.02Å; P22-E26 PolarHBondContact O-N 3.16Å |
| 23 | E | 82.8 | Confident | 78.1 | Confident | 152 Ų | 152 | 124 Ų | 124 | 71% | 0.71 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -68.8 | -41.2 | 178.8 | -171.6 | 173.6 | 174 | 0 | 0 | 111.7 | D21 E26 Q27 | D21-E23 PolarHBondContact O-N 3.18Å; D21-E23 VanDerWaalsContact O-N 3.11Å; D21-E23 PolarHBondContact OD1-N 3.01Å; D21-E23 VanDerWaalsContact OD1-N 3.08Å; E23-E26 PolarHBondContact O-N 3.39Å; E23-Q27 PolarHBondContact O-N 3.3Å |
| 24 | A | 81.6 | Confident | 77.5 | Confident | 33 Ų | 33 | 123.3 Ų | 123.3 | 27% | 0.273 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -67.1 | -38.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112 | D21 E26 Q27 I28 | D21-A24 HydrophobicContact CB-CB 4Å; D21-A24 WeakPolarHBondContact O-CA 3.34Å; D21-A24 WeakPolarHBondContact O-CB 3.48Å; D21-A24 PolarHBondContact O-N 3.47Å; A24-E26 VanDerWaalsContact C-N 3.32Å; A24-E26 PolarHBondContact O-N 3.15Å; A24-Q27 PolarHBondContact O-N 2.83Å; A24-I28 WeakPolarHBondContact O-CG1 3.32Å; A24-I28 PolarHBondContact O-N 3.07Å |
| 25 | A | 80.1 | Confident | 76.6 | Confident | 37 Ų | 37 | 122.5 Ų | 122.5 | 31% | 0.306 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -60.6 | -42.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | D21 P22 R29 | D21-A25 PolarHBondContact O-N 3.04Å; P22-A25 PolarHBondContact O-N 3.02Å; A25-R29 VanDerWaalsContact O-CG 3.29Å; A25-R29 WeakPolarHBondContact O-CG 3.45Å; A25-R29 PolarHBondContact O-N 3Å; A25-R29 VanDerWaalsContact O-N 3.1Å |
| 26 | E | 82.5 | Confident | 76.1 | Confident | 123 Ų | 123 | 117.8 Ų | 117.8 | 58% | 0.575 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66.5 | -39.4 | 173.8 | -72.2 | -165.5 | 169.8 | 0 | 0 | 112.8 | P22 E23 A24 I28 R29 R30 | P22-E26 PolarHBondContact O-N 3.16Å; E23-E26 PolarHBondContact O-N 3.39Å; A24-E26 VanDerWaalsContact C-N 3.32Å; A24-E26 PolarHBondContact O-N 3.15Å; E26-I28 VanDerWaalsContact C-N 3.34Å; E26-I28 PolarHBondContact O-N 2.81Å; E26-R29 WeakPolarHBondContact O-CB 3.44Å; E26-R29 PolarHBondContact O-N 2.96Å; E26-R29 VanDerWaalsContact O-N 3.17Å; E26-R30 WeakPolarHBondContact O-CB 3.27Å; E26-R30 WeakPolarHBondContact O-CG 3.45Å; E26-R30 PolarHBondContact O-N 2.82Å |
| 27 | Q | 88.1 | Confident | 75.6 | Confident | 103 Ų | 103 | 114.1 Ų | 114.1 | 48% | 0.481 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.6 | -41.4 | 178 | -155 | -176.7 | 29.5 | 0 | 0 | 111.8 | E23 A24 R30 R31 | E23-Q27 PolarHBondContact O-N 3.3Å; A24-Q27 PolarHBondContact O-N 2.83Å; Q27-R30 PolarHBondContact O-N 2.74Å; Q27-R31 WeakPolarHBondContact O-CB 3.48Å; Q27-R31 VanDerWaalsContact O-CG 3.28Å; Q27-R31 WeakPolarHBondContact O-CG 3.18Å; Q27-R31 PolarHBondContact O-N 3.15Å |
| 28 | I | 79.9 | Confident | 75.4 | Confident | 62 Ų | 62 | 114.4 Ų | 114.4 | 32% | 0.318 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.5 | -44.6 | 173 | -68.3 | 168.2 | 0 | 0 | 0 | 110.6 | A24 E26 R30 R31 R32 | A24-I28 WeakPolarHBondContact O-CG1 3.32Å; A24-I28 PolarHBondContact O-N 3.07Å; E26-I28 VanDerWaalsContact C-N 3.34Å; E26-I28 PolarHBondContact O-N 2.81Å; I28-R30 VanDerWaalsContact C-N 3.33Å; I28-R30 PolarHBondContact O-N 3.08Å; I28-R31 PolarHBondContact O-N 3.3Å; I28-R32 VanDerWaalsContact CG2-NE 3.34Å; I28-R32 WeakPolarHBondContact O-CB 3.5Å; I28-R32 VanDerWaalsContact O-CG 3.26Å; I28-R32 WeakPolarHBondContact O-CG 3.48Å; I28-R32 PolarHBondContact O-N 2.98Å; I28-R32 VanDerWaalsContact O-N 3.1Å |
| 29 | R | 81.8 | Confident | 74.8 | Confident | 114 Ų | 114 | 112.2 Ų | 112.2 | 43% | 0.43 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.7 | -37.8 | 177.9 | -72.4 | 172.1 | 66.2 | 165 | 5.1 | 112.7 | A25 E26 T37 | A25-R29 VanDerWaalsContact O-CG 3.29Å; A25-R29 WeakPolarHBondContact O-CG 3.45Å; A25-R29 PolarHBondContact O-N 3Å; A25-R29 VanDerWaalsContact O-N 3.1Å; E26-R29 WeakPolarHBondContact O-CB 3.44Å; E26-R29 PolarHBondContact O-N 2.96Å; E26-R29 VanDerWaalsContact O-N 3.17Å; R29-T37 HydrophobicContact CG-CG2 4.42Å; R29-T37 VanDerWaalsContact NE-CG2 3.28Å; R29-T37 VanDerWaalsContact NH2-CG2 3.26Å |
| 30 | R | 84.9 | Confident | 74.1 | Confident | 222 Ų | 222 | 107.4 Ų | 107.4 | 84% | 0.838 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -75.7 | -33.8 | -179.9 | -76.5 | 178.6 | 142.9 | -141.9 | -4.3 | 113.3 | E26 Q27 I28 | E26-R30 WeakPolarHBondContact O-CB 3.27Å; E26-R30 WeakPolarHBondContact O-CG 3.45Å; E26-R30 PolarHBondContact O-N 2.82Å; Q27-R30 PolarHBondContact O-N 2.74Å; I28-R30 VanDerWaalsContact C-N 3.33Å; I28-R30 PolarHBondContact O-N 3.08Å |
| 31 | R | 87.3 | Confident | 73 | Confident | 187 Ų | 187 | 106 Ų | 106 | 71% | 0.706 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -79 | -20.3 | 177.6 | -70 | 176.8 | -177 | -138.1 | 8 | 112.9 | Q27 I28 P33 | Q27-R31 WeakPolarHBondContact O-CB 3.48Å; Q27-R31 VanDerWaalsContact O-CG 3.28Å; Q27-R31 WeakPolarHBondContact O-CG 3.18Å; Q27-R31 PolarHBondContact O-N 3.15Å; I28-R31 PolarHBondContact O-N 3.3Å; R31-P33 WeakPolarHBondContact O-CD 3.5Å |
| 32 | R | 81.9 | Confident | 71.5 | Confident | 135 Ų | 135 | 107.4 Ų | 107.4 | 51% | 0.509 | 58% | 0.583 | S | S | . | * | S | Bend | trans | -86.8 | 118.5 | 176.3 | -70.8 | 177.2 | -177.3 | 178.3 | 4.4 | 109.7 | I28 T34 | I28-R32 VanDerWaalsContact CG2-NE 3.34Å; I28-R32 WeakPolarHBondContact O-CB 3.5Å; I28-R32 VanDerWaalsContact O-CG 3.26Å; I28-R32 WeakPolarHBondContact O-CG 3.48Å; I28-R32 PolarHBondContact O-N 2.98Å; I28-R32 VanDerWaalsContact O-N 3.1Å; R32-T34 WeakPolarHBondContact CB-O 3.11Å; R32-T34 PolarHBondContact O-N 3.23Å |
| 33 | P | 72.9 | Confident | 70.1 | Confident | 135 Ų | 135 | 108.2 Ų | 108.2 | 88% | 0.877 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -63.5 | -13.6 | 178.7 | 23.2 | -31.3 | 0 | 0 | 0 | 113.3 | R31 | R31-P33 WeakPolarHBondContact O-CD 3.5Š|
| 34 | T | 70.4 | Confident | 68.7 | Low | 111 Ų | 111 | 110.1 Ų | 110.1 | 68% | 0.681 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -121.8 | 116.5 | 167.6 | -42.6 | 0 | 0 | 0 | 0 | 108 | R32 A36 | R32-T34 WeakPolarHBondContact CB-O 3.11Å; R32-T34 PolarHBondContact O-N 3.23Å; T34-A36 PolarHBondContact O-N 2.91Å |
| 35 | P | 58.2 | Low | 66.9 | Low | 83 Ų | 83 | 112.3 Ų | 112.3 | 54% | 0.539 | 61% | 0.605 | S | S | . | * | trans | -73.7 | 93.1 | 179.9 | 28.7 | -32.5 | 0 | 0 | 0 | 109.1 | T37 | P35-T37 PolarHBondContact O-N 3.24Š| ||
| 36 | A | 62.9 | Low | 65.1 | Low | 69 Ų | 69 | 115.3 Ų | 115.3 | 57% | 0.57 | 62% | 0.624 | S | S | * | * | trans | -75.2 | 84.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | T34 L38 | T34-A36 PolarHBondContact O-N 2.91Å; A36-L38 VanDerWaalsContact C-N 3.35Å; A36-L38 PolarHBondContact O-N 3.14Å | ||
| 37 | T | 60.1 | Low | 63.7 | Low | 71 Ų | 71 | 115.1 Ų | 115.1 | 44% | 0.436 | 63% | 0.633 | S | S | . | * | trans | -76 | 92.3 | 163.8 | 53.5 | 0 | 0 | 0 | 0 | 107.7 | R29 P35 V39 | R29-T37 HydrophobicContact CG-CG2 4.42Å; R29-T37 VanDerWaalsContact NE-CG2 3.28Å; R29-T37 VanDerWaalsContact NH2-CG2 3.26Å; P35-T37 PolarHBondContact O-N 3.24Å; T37-V39 PolarHBondContact O-N 2.74Å | ||
| 38 | L | 61.2 | Low | 62.2 | Low | 160 Ų | 160 | 117.9 Ų | 117.9 | 84% | 0.838 | 65% | 0.646 | S | S | * | * | trans | -84.9 | 65.3 | 151.4 | -139 | 169.5 | 0 | 0 | 0 | 106.6 | A36 A40 | A36-L38 VanDerWaalsContact C-N 3.35Å; A36-L38 PolarHBondContact O-N 3.14Å; L38-A40 VanDerWaalsContact C-N 3.34Å; L38-A40 HydrophobicContact CD2-CB 4.29Å; L38-A40 PolarHBondContact O-N 3.08Å | ||
| 39 | V | 54.4 | Low | 61.3 | Low | 86 Ų | 86 | 118.4 Ų | 118.4 | 52% | 0.521 | 65% | 0.649 | S | S | . | * | trans | -78.6 | 100 | 155.9 | 177.6 | 0 | 0 | 0 | 0 | 102.8 | T37 S41 | T37-V39 PolarHBondContact O-N 2.74Å; V39-S41 WeakPolarHBondContact CG1-OG 3.23Å; V39-S41 PolarHBondContact O-N 2.95Å | ||
| 40 | A | 55.3 | Low | 60.2 | Low | 67 Ų | 67 | 116.2 Ų | 116.2 | 55% | 0.554 | 65% | 0.645 | S | S | * | * | trans | -65.5 | 82.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | L38 S42 | L38-A40 VanDerWaalsContact C-N 3.34Å; L38-A40 HydrophobicContact CD2-CB 4.29Å; L38-A40 PolarHBondContact O-N 3.08Å; A40-S42 PolarHBondContact O-N 2.89Å | ||
| 41 | S | 45.9 | Very low | 59 | Low | 84 Ų | 84 | 110.1 Ų | 110.1 | 59% | 0.587 | 63% | 0.626 | S | S | * | * | trans | -62.9 | 90 | 162 | -52.9 | 0 | 0 | 0 | 0 | 105.7 | V39 D43 | V39-S41 WeakPolarHBondContact CG1-OG 3.23Å; V39-S41 PolarHBondContact O-N 2.95Å; S41-D43 PolarHBondContact O-N 3.32Å | ||
| 42 | S | 51.1 | Low | 57.9 | Low | 126 Ų | 126 | 108.7 Ų | 108.7 | 88% | 0.881 | 63% | 0.633 | S | S | * | * | trans | -68 | 49.3 | 143.6 | -54.6 | 0 | 0 | 0 | 0 | 108.7 | A40 | A40-S42 PolarHBondContact O-N 2.89Š| ||
| 43 | D | 48.6 | Very low | 57.1 | Low | 112 Ų | 112 | 112 Ų | 112 | 60% | 0.599 | 65% | 0.645 | S | S | * | * | trans | -114.6 | 106.5 | 171.6 | -156.6 | 8.7 | 0 | 0 | 0 | 105.1 | S41 S45 | S41-D43 PolarHBondContact O-N 3.32Å; D43-S45 PolarHBondContact O-N 2.67Å | ||
| 44 | Q | 53.9 | Low | 56.6 | Low | 192 Ų | 192 | 108.8 Ų | 108.8 | 90% | 0.897 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -60.9 | 66.8 | 165 | -80.7 | -91.1 | 16.9 | 0 | 0 | 109.1 | ||
| 45 | S | 42.8 | Very low | 56.9 | Low | 79 Ų | 79 | 107.3 Ų | 107.3 | 55% | 0.552 | 61% | 0.613 | S | S | * | * | trans | 178.3 | 90 | 149.5 | 52.8 | 0 | 0 | 0 | 0 | 108.4 | D43 | D43-S45 PolarHBondContact O-N 2.67Š| ||
| 46 | S | 43.8 | Very low | 57.3 | Low | 101 Ų | 101 | 108.8 Ų | 108.8 | 71% | 0.706 | 62% | 0.616 | S | S | * | * | -47 | 134 | 127 | -83 | 0 | 0 | 0 | 0 | 105.6 | E48 | S46-E48 PolarHBondContact O-N 3.18Š| |||
| 47 | P | 52.6 | Low | 57.6 | Low | 119 Ų | 119 | 113.6 Ų | 113.6 | 77% | 0.773 | 63% | 0.627 | S | S | * | * | trans | -65.6 | 79 | 151.7 | 29.8 | -27 | 0 | 0 | 0 | 103.9 | I49 | P47-I49 PolarHBondContact O-N 3.2Š| ||
| 48 | E | 55.9 | Low | 58.2 | Low | 161 Ų | 161 | 114.9 Ų | 114.9 | 75% | 0.752 | 63% | 0.63 | S | S | * | * | trans | -50.9 | 94.5 | 138.6 | -168.9 | 168.1 | -150.8 | 0 | 0 | 101.6 | S46 D50 | S46-E48 PolarHBondContact O-N 3.18Å; E48-D50 PolarHBondContact O-N 2.72Å | ||
| 49 | I | 60.8 | Low | 58.8 | Low | 73 Ų | 73 | 110 Ų | 110 | 37% | 0.374 | 60% | 0.601 | S | S | . | * | trans | -42.2 | 93.3 | 144.6 | 39.2 | -177.7 | 0 | 0 | 0 | 103.1 | P47 E51 L54 Y59 | P47-I49 PolarHBondContact O-N 3.2Å; I49-E51 WeakPolarHBondContact O-CG 3.45Å; I49-E51 PolarHBondContact O-N 3.41Å; I49-L54 HydrophobicContact CG2-CD1 4.31Å; I49-Y59 HydrophobicContact CD1-CD2 4.4Å; I49-Y59 HydrophobicContact CD1-CE2 3.68Å | ||
| 50 | D | 59.1 | Low | 59.5 | Low | 68 Ų | 68 | 112 Ų | 112 | 36% | 0.364 | 60% | 0.603 | S | S | . | * | trans | -56.5 | 100.7 | 173.8 | 166.9 | 13.9 | 0 | 0 | 0 | 102.6 | E48 D52 R53 L54 | E48-D50 PolarHBondContact O-N 2.72Å; D50-D52 PolarHBondContact O-N 2.82Å; D50-D52 PolarHBondContact OD1-N 2.72Å; D50-R53 HydrophobicContact CB-CB 3.75Å; D50-R53 HydrophobicContact CB-CG 4.34Å; D50-R53 WeakPolarHBondContact O-CB 3.32Å; D50-R53 PolarHBondContact O-N 2.83Å; D50-R53 VanDerWaalsContact OD2-CB 3.23Å; D50-R53 WeakPolarHBondContact OD2-CB 3.35Å; D50-R53 WeakPolarHBondContact OD2-CD 3.18Å; D50-R53 WeakPolarHBondContact OD2-CG 3.29Å; D50-R53 IonicContact OD2-NE 3.8Å; D50-L54 PolarHBondContact O-N 3.48Å | ||
| 51 | E | 60.8 | Low | 60.4 | Low | 93 Ų | 93 | 110.8 Ų | 110.8 | 44% | 0.435 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.6 | -21.2 | -169.1 | -67.6 | -78.1 | 154.5 | 0 | 0 | 109.2 | I49 Y59 | I49-E51 WeakPolarHBondContact O-CG 3.45Å; I49-E51 PolarHBondContact O-N 3.41Å; E51-Y59 WeakPolarHBondContact OE1-CE2 2.92Å; E51-Y59 PolarHBondContact OE1-OH 3.3Å; E51-Y59 WeakPolarHBondContact OE2-CE2 3.1Å; E51-Y59 PolarHBondContact OE2-OH 3.05Å |
| 52 | D | 62.4 | Low | 61.7 | Low | 157 Ų | 157 | 109.2 Ų | 109.2 | 84% | 0.84 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | -13.8 | 178.3 | -61.5 | -34.7 | 0 | 0 | 0 | 113.9 | D50 | D50-D52 PolarHBondContact O-N 2.82Å; D50-D52 PolarHBondContact OD1-N 2.72Å |
| 53 | R | 65.6 | Low | 62.6 | Low | 206 Ų | 206 | 106.6 Ų | 106.6 | 78% | 0.777 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -31.8 | 177.5 | -120.4 | 176.9 | -173.9 | -114.3 | -0.8 | 113.6 | D50 | D50-R53 HydrophobicContact CB-CB 3.75Å; D50-R53 HydrophobicContact CB-CG 4.34Å; D50-R53 WeakPolarHBondContact O-CB 3.32Å; D50-R53 PolarHBondContact O-N 2.83Å; D50-R53 VanDerWaalsContact OD2-CB 3.23Å; D50-R53 WeakPolarHBondContact OD2-CB 3.35Å; D50-R53 WeakPolarHBondContact OD2-CD 3.18Å; D50-R53 WeakPolarHBondContact OD2-CG 3.29Å; D50-R53 IonicContact OD2-NE 3.8Å |
| 54 | L | 63 | Low | 63.6 | Low | 66 Ų | 66 | 106.9 Ų | 106.9 | 35% | 0.346 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -95.3 | 128.5 | -178.5 | -78.4 | 166.8 | 0 | 0 | 0 | 109.8 | I49 D50 N56 L58 | I49-L54 HydrophobicContact CG2-CD1 4.31Å; D50-L54 PolarHBondContact O-N 3.48Å; L54-N56 PolarHBondContact O-N 2.92Å; L54-L58 HydrophobicContact CD2-CB 4.42Å; L54-L58 HydrophobicContact CD2-CD1 4.39Å |
| 55 | P | 77.5 | Confident | 64.3 | Low | 81 Ų | 81 | 102.4 Ų | 102.4 | 53% | 0.526 | 54% | 0.544 | S | S | . | . | trans | -49.1 | 130.2 | 168.7 | -23.2 | 29 | 0 | 0 | 0 | 110.2 | Q57 L58 Y59 | P55-Q57 CarbonylContact O-C 3.6Å; P55-Q57 PolarHBondContact O-N 3.45Å; P55-L58 HydrophobicContact CG-CD1 4.2Å; P55-L58 WeakPolarHBondContact O-CA 3.47Å; P55-L58 WeakPolarHBondContact O-CB 3.31Å; P55-L58 PolarHBondContact O-N 3.4Å; P55-Y59 PolarHBondContact O-N 3Å | ||
| 56 | N | 65.2 | Low | 65.4 | Low | 114 Ų | 114 | 100.1 Ų | 100.1 | 61% | 0.61 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -47.2 | -28.6 | -175.5 | -166.2 | -40.4 | 0 | 0 | 0 | 113.8 | L54 Y59 K60 | L54-N56 PolarHBondContact O-N 2.92Å; N56-Y59 WeakPolarHBondContact O-CB 3.49Å; N56-K60 PolarHBondContact O-N 3.11Å |
| 57 | Q | 70.3 | Confident | 66.3 | Low | 169 Ų | 169 | 100.3 Ų | 100.3 | 79% | 0.79 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -67.7 | -41 | 173.9 | -62.9 | -164.3 | 50.4 | 0 | 0 | 113.9 | P55 Y59 A61 | P55-Q57 CarbonylContact O-C 3.6Å; P55-Q57 PolarHBondContact O-N 3.45Å; Q57-Y59 VanDerWaalsContact C-N 3.33Å; Q57-A61 PolarHBondContact O-N 3.48Å |
| 58 | L | 71.4 | Confident | 66.8 | Low | 99 Ų | 99 | 106.2 Ų | 106.2 | 52% | 0.518 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -71.9 | -31 | 177.6 | -65.2 | -177.5 | 0 | 0 | 0 | 111.5 | L54 P55 A61 A62 | L54-L58 HydrophobicContact CD2-CB 4.42Å; L54-L58 HydrophobicContact CD2-CD1 4.39Å; P55-L58 HydrophobicContact CG-CD1 4.2Å; P55-L58 WeakPolarHBondContact O-CA 3.47Å; P55-L58 WeakPolarHBondContact O-CB 3.31Å; P55-L58 PolarHBondContact O-N 3.4Å; L58-A61 PolarHBondContact O-N 3.29Å; L58-A62 WeakPolarHBondContact O-CB 3.48Å; L58-A62 PolarHBondContact O-N 3.46Å |
| 59 | Y | 73.4 | Confident | 67.1 | Low | 56 Ų | 56 | 103.8 Ų | 103.8 | 22% | 0.22 | 52% | 0.522 | C | S | . | . | H | α-helix | trans | -59.1 | -50.9 | 174 | 179.8 | -107 | 0 | 0 | 0 | 112.2 | I49 E51 P55 N56 Q57 A61 A62 L63 | I49-Y59 HydrophobicContact CD1-CD2 4.4Å; I49-Y59 HydrophobicContact CD1-CE2 3.68Å; E51-Y59 WeakPolarHBondContact OE1-CE2 2.92Å; E51-Y59 PolarHBondContact OE1-OH 3.3Å; E51-Y59 WeakPolarHBondContact OE2-CE2 3.1Å; E51-Y59 PolarHBondContact OE2-OH 3.05Å; P55-Y59 PolarHBondContact O-N 3Å; N56-Y59 WeakPolarHBondContact O-CB 3.49Å; Q57-Y59 VanDerWaalsContact C-N 3.33Å; Y59-A61 VanDerWaalsContact C-N 3.29Å; Y59-A61 PolarHBondContact O-N 3.19Å; Y59-A62 PolarHBondContact O-N 3Å; Y59-A62 VanDerWaalsContact O-N 3.15Å; Y59-L63 HydrophobicContact CD1-CD1 3.98Å; Y59-L63 HydrophobicContact CE1-CD1 3.42Å; Y59-L63 VanDerWaalsContact CE1-CD1 3.42Å; Y59-L63 HydrophobicContact CE1-CG 4.19Å; Y59-L63 HydrophobicContact CE2-CD1 4.5Å; Y59-L63 HydrophobicContact CE2-CG 4.48Å; Y59-L63 PolarHBondContact O-N 3.37Å |
| 60 | K | 70.1 | Confident | 67.1 | Low | 130 Ų | 130 | 108.8 Ų | 108.8 | 57% | 0.565 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.5 | -40 | 177.2 | -67.1 | -176.1 | -178.2 | -174.6 | 0 | 111.9 | N56 L64 | N56-K60 PolarHBondContact O-N 3.11Å; K60-L64 VanDerWaalsContact O-CG 3.31Å; K60-L64 WeakPolarHBondContact O-CG 3.42Å; K60-L64 PolarHBondContact O-N 3.17Å |
| 61 | A | 73.1 | Confident | 67.2 | Low | 41 Ų | 41 | 116.2 Ų | 116.2 | 34% | 0.339 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.7 | -40.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q57 L58 Y59 L64 N65 | Q57-A61 PolarHBondContact O-N 3.48Å; L58-A61 PolarHBondContact O-N 3.29Å; Y59-A61 VanDerWaalsContact C-N 3.29Å; Y59-A61 PolarHBondContact O-N 3.19Å; A61-L64 PolarHBondContact O-N 2.95Å; A61-N65 WeakPolarHBondContact O-CB 3.47Å; A61-N65 PolarHBondContact O-N 3.1Å; A61-N65 PolarHBondContact O-ND2 3.45Å |
| 62 | A | 73.4 | Confident | 67.3 | Low | 51 Ų | 51 | 121.6 Ų | 121.6 | 42% | 0.421 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -64.1 | -41.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | L58 Y59 N65 S66 | L58-A62 WeakPolarHBondContact O-CB 3.48Å; L58-A62 PolarHBondContact O-N 3.46Å; Y59-A62 PolarHBondContact O-N 3Å; Y59-A62 VanDerWaalsContact O-N 3.15Å; A62-N65 PolarHBondContact O-N 2.89Å; A62-S66 PolarHBondContact O-N 2.8Å; A62-S66 VanDerWaalsContact O-N 3.08Å |
| 63 | L | 70.3 | Confident | 67.3 | Low | 70 Ų | 70 | 116.8 Ų | 116.8 | 37% | 0.366 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -60 | -50.7 | 175.1 | -71.3 | 178.6 | 0 | 0 | 0 | 111.8 | Y59 N65 S66 Q69 | Y59-L63 HydrophobicContact CD1-CD1 3.98Å; Y59-L63 HydrophobicContact CE1-CD1 3.42Å; Y59-L63 VanDerWaalsContact CE1-CD1 3.42Å; Y59-L63 HydrophobicContact CE1-CG 4.19Å; Y59-L63 HydrophobicContact CE2-CD1 4.5Å; Y59-L63 HydrophobicContact CE2-CG 4.48Å; Y59-L63 PolarHBondContact O-N 3.37Å; L63-N65 PolarHBondContact O-N 2.99Å; L63-S66 WeakPolarHBondContact O-CB 3.43Å; L63-S66 PolarHBondContact O-N 3.49Å; L63-S66 PolarHBondContact O-OG 3.37Å; L63-Q69 PolarHBondContact O-OE1 3.47Å |
| 64 | L | 69.1 | Low | 67.4 | Low | 119 Ų | 119 | 116.9 Ų | 116.9 | 62% | 0.623 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.7 | -28.4 | 179.9 | -69.4 | 173.4 | 0 | 0 | 0 | 113.3 | K60 A61 Q69 | K60-L64 VanDerWaalsContact O-CG 3.31Å; K60-L64 WeakPolarHBondContact O-CG 3.42Å; K60-L64 PolarHBondContact O-N 3.17Å; A61-L64 PolarHBondContact O-N 2.95Å; L64-Q69 VanDerWaalsContact CA-OE1 3.29Å |
| 65 | N | 69.1 | Low | 67.4 | Low | 98 Ų | 98 | 123.8 Ų | 123.8 | 52% | 0.524 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -89.8 | -4.3 | 176.5 | -74.6 | -71.4 | 0 | 0 | 0 | 113.5 | A61 A62 L63 R70 | A61-N65 WeakPolarHBondContact O-CB 3.47Å; A61-N65 PolarHBondContact O-N 3.1Å; A61-N65 PolarHBondContact O-ND2 3.45Å; A62-N65 PolarHBondContact O-N 2.89Å; L63-N65 PolarHBondContact O-N 2.99Å; N65-R70 VanDerWaalsContact O-CD 3.28Å; N65-R70 WeakPolarHBondContact O-CD 3.28Å |
| 66 | S | 67.1 | Low | 67.4 | Low | 31 Ų | 31 | 122.8 Ų | 122.8 | 22% | 0.217 | 61% | 0.61 | C | S | . | * | trans | -61.3 | 133.5 | -179.2 | 75.9 | 0 | 0 | 0 | 0 | 110.3 | A62 L63 R68 Q69 R70 | A62-S66 PolarHBondContact O-N 2.8Å; A62-S66 VanDerWaalsContact O-N 3.08Å; L63-S66 WeakPolarHBondContact O-CB 3.43Å; L63-S66 PolarHBondContact O-N 3.49Å; L63-S66 PolarHBondContact O-OG 3.37Å; S66-R68 PolarHBondContact O-N 3.16Å; S66-Q69 PolarHBondContact O-N 2.99Å; S66-Q69 PolarHBondContact OG-N 3.04Å; S66-R70 WeakPolarHBondContact O-CG 3.26Å; S66-R70 PolarHBondContact O-N 3.22Å; S66-R70 VanDerWaalsContact O-N 3.16Å | ||
| 67 | P | 63 | Low | 68.2 | Low | 105 Ų | 105 | 123.7 Ų | 123.7 | 68% | 0.682 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -52.4 | -28.4 | 176.2 | -28.1 | 34.9 | 0 | 0 | 0 | 113.2 | R70 R71 | P67-R70 PolarHBondContact O-N 3.47Å; P67-R71 PolarHBondContact O-N 2.9Å |
| 68 | R | 61.9 | Low | 68.8 | Low | 243 Ų | 243 | 119.3 Ų | 119.3 | 92% | 0.917 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.5 | -33.5 | 179 | -137 | 170.4 | 174.4 | 178.5 | -3.2 | 112.9 | S66 | S66-R68 PolarHBondContact O-N 3.16Å |
| 69 | Q | 62.7 | Low | 69.8 | Low | 110 Ų | 110 | 118.1 Ų | 118.1 | 51% | 0.514 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -88.8 | -26.6 | 173.1 | -73.4 | -166.6 | -39.6 | 0 | 0 | 113.1 | L63 L64 S66 R71 | L63-Q69 PolarHBondContact O-OE1 3.47Å; L64-Q69 VanDerWaalsContact CA-OE1 3.29Å; S66-Q69 PolarHBondContact O-N 2.99Å; S66-Q69 PolarHBondContact OG-N 3.04Å; Q69-R71 VanDerWaalsContact C-N 3.34Å; Q69-R71 PolarHBondContact O-N 3.03Å |
| 70 | R | 60.2 | Low | 70.8 | Confident | 178 Ų | 178 | 121.6 Ų | 121.6 | 67% | 0.672 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -78.4 | -9.4 | -174.7 | -67.2 | -179.5 | 67.2 | -177 | 2.4 | 115 | N65 S66 P67 K72 | N65-R70 VanDerWaalsContact O-CD 3.28Å; N65-R70 WeakPolarHBondContact O-CD 3.28Å; S66-R70 WeakPolarHBondContact O-CG 3.26Å; S66-R70 PolarHBondContact O-N 3.22Å; S66-R70 VanDerWaalsContact O-N 3.16Å; P67-R70 PolarHBondContact O-N 3.47Å; R70-K72 PolarHBondContact O-N 3.45Å |
| 71 | R | 61.4 | Low | 72 | Confident | 224 Ų | 224 | 123.4 Ų | 123.4 | 85% | 0.845 | 63% | 0.63 | S | S | * | * | trans | -91.9 | 66.6 | 176.5 | -67.6 | -72 | 175.9 | -179.7 | -2.7 | 111.6 | P67 Q69 G73 | P67-R71 PolarHBondContact O-N 2.9Å; Q69-R71 VanDerWaalsContact C-N 3.34Å; Q69-R71 PolarHBondContact O-N 3.03Å; R71-G73 VanDerWaalsContact C-N 3.28Å; R71-G73 PolarHBondContact O-N 2.8Å | ||
| 72 | K | 62.6 | Low | 73 | Confident | 206 Ų | 206 | 126.7 Ų | 126.7 | 90% | 0.896 | 64% | 0.639 | S | S | * | * | trans | -93.6 | 62.7 | 157.2 | -70.8 | -82.1 | -173.9 | 175.3 | 0 | 108.4 | R70 | R70-K72 PolarHBondContact O-N 3.45Š| ||
| 73 | G | 63.2 | Low | 74 | Confident | 56 Ų | 56 | 127.5 Ų | 127.5 | 58% | 0.577 | 64% | 0.636 | S | S | * | * | trans | -95.5 | 148 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | R71 K75 | R71-G73 VanDerWaalsContact C-N 3.28Å; R71-G73 PolarHBondContact O-N 2.8Å; G73-K75 PolarHBondContact O-N 2.97Å | ||
| 74 | Q | 67.1 | Low | 75.2 | Confident | 208 Ų | 208 | 129.6 Ų | 129.6 | 97% | 0.972 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -51.4 | 11.7 | -170.7 | -77.6 | 166.3 | -76.3 | 0 | 0 | 119 | ||
| 75 | K | 63.3 | Low | 76.5 | Confident | 210 Ų | 210 | 130.5 Ų | 130.5 | 91% | 0.913 | 64% | 0.642 | S | S | * | * | trans | -122.4 | 62.9 | 175.1 | -55.2 | -144.2 | -177.6 | -150.8 | 0 | 110.2 | G73 | G73-K75 PolarHBondContact O-N 2.97Š| ||
| 76 | G | 77.1 | Confident | 77.7 | Confident | 60 Ų | 60 | 131.3 Ų | 131.3 | 62% | 0.619 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -96.5 | 153.4 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 77 | T | 81.5 | Confident | 79 | Confident | 134 Ų | 134 | 134.6 Ų | 134.6 | 82% | 0.822 | 67% | 0.665 | S | S | * | * | P | Polyproline II helix | trans | -57 | 130.1 | 164.7 | 49 | 0 | 0 | 0 | 0 | 108.3 | T79 | T77-T79 PolarHBondContact O-N 2.96Š|
| 78 | P | 84.7 | Confident | 80.5 | Confident | 76 Ų | 76 | 136.2 Ų | 136.2 | 49% | 0.494 | 66% | 0.663 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 140.4 | -177.6 | 25.9 | -35 | 0 | 0 | 0 | 110 | E82 L83 | P78-E82 HydrophobicContact CB-CB 4.49Å; P78-L83 HydrophobicContact CB-CD2 4.01Å; P78-L83 HydrophobicContact CB-CG 4.08Å; P78-L83 HydrophobicContact CG-CD1 4.43Å; P78-L83 HydrophobicContact CG-CD2 3.69Å; P78-L83 HydrophobicContact CG-CG 4.05Å |
| 79 | T | 91.6 | Very high | 82 | Confident | 75 Ų | 75 | 128.7 Ų | 128.7 | 46% | 0.46 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -70.7 | 155.4 | 174.9 | 67.1 | 0 | 0 | 0 | 0 | 110.1 | T77 K81 E82 L83 | T77-T79 PolarHBondContact O-N 2.96Å; T79-K81 PolarHBondContact O-N 2.98Å; T79-K81 VanDerWaalsContact O-N 3.12Å; T79-E82 WeakPolarHBondContact CB-OE2 3.32Å; T79-E82 WeakPolarHBondContact CG2-OE2 3.47Å; T79-E82 PolarHBondContact N-OE2 3.06Å; T79-E82 PolarHBondContact O-N 2.88Å; T79-E82 VanDerWaalsContact OG1-CG 3.26Å; T79-E82 WeakPolarHBondContact OG1-CG 3.33Å; T79-E82 PolarHBondContact OG1-N 3.45Å; T79-E82 PolarHBondContact OG1-OE2 3.29Å; T79-L83 PolarHBondContact O-N 3.17Å |
| 80 | M | 95.4 | Very high | 83.5 | Confident | 128 Ų | 128 | 129.3 Ų | 129.3 | 63% | 0.631 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -55.7 | -31.8 | 177.5 | -76.2 | -57.6 | -57.8 | 0 | 0 | 113.4 | L83 Q84 | M80-L83 HydrophobicContact SD-CD1 4.17Å; M80-Q84 WeakPolarHBondContact O-CB 3.46Å; M80-Q84 WeakPolarHBondContact O-CG 3.39Å; M80-Q84 PolarHBondContact O-N 3.45Å; M80-Q84 PolarHBondContact O-NE2 2.86Å |
| 81 | K | 94.7 | Very high | 85 | Confident | 169 Ų | 169 | 125 Ų | 125 | 74% | 0.735 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -71.7 | -39.1 | 177 | -68.2 | -174.2 | 175.9 | -176.2 | 0 | 112.3 | T79 Q84 F85 | T79-K81 PolarHBondContact O-N 2.98Å; T79-K81 VanDerWaalsContact O-N 3.12Å; K81-Q84 PolarHBondContact O-N 3.1Å; K81-F85 WeakPolarHBondContact O-CB 3.5Å; K81-F85 PolarHBondContact O-N 3.43Å |
| 82 | E | 93.3 | Very high | 86.1 | Confident | 109 Ų | 109 | 121.3 Ų | 121.3 | 51% | 0.509 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -67.1 | -39.3 | 175.6 | -71 | 161.5 | 154.5 | 0 | 0 | 111.1 | P78 T79 F85 L86 | P78-E82 HydrophobicContact CB-CB 4.49Å; T79-E82 WeakPolarHBondContact CB-OE2 3.32Å; T79-E82 WeakPolarHBondContact CG2-OE2 3.47Å; T79-E82 PolarHBondContact N-OE2 3.06Å; T79-E82 PolarHBondContact O-N 2.88Å; T79-E82 VanDerWaalsContact OG1-CG 3.26Å; T79-E82 WeakPolarHBondContact OG1-CG 3.33Å; T79-E82 PolarHBondContact OG1-N 3.45Å; T79-E82 PolarHBondContact OG1-OE2 3.29Å; E82-F85 PolarHBondContact O-N 3.36Å; E82-L86 WeakPolarHBondContact O-CB 3.5Å; E82-L86 PolarHBondContact O-N 2.85Å |
| 83 | L | 94.9 | Very high | 87.2 | Confident | 69 Ų | 69 | 118.3 Ų | 118.3 | 36% | 0.361 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -62.3 | -46 | 173.2 | -70.3 | 175.8 | 0 | 0 | 0 | 111.8 | P78 T79 M80 F85 L86 V87 | P78-L83 HydrophobicContact CB-CD2 4.01Å; P78-L83 HydrophobicContact CB-CG 4.08Å; P78-L83 HydrophobicContact CG-CD1 4.43Å; P78-L83 HydrophobicContact CG-CD2 3.69Å; P78-L83 HydrophobicContact CG-CG 4.05Å; T79-L83 PolarHBondContact O-N 3.17Å; M80-L83 HydrophobicContact SD-CD1 4.17Å; L83-F85 VanDerWaalsContact C-N 3.33Å; L83-F85 PolarHBondContact O-N 2.76Å; L83-L86 PolarHBondContact O-N 3.35Å; L83-V87 WeakPolarHBondContact O-CB 3.49Å; L83-V87 VanDerWaalsContact O-CG2 3.28Å; L83-V87 WeakPolarHBondContact O-CG2 3.2Å; L83-V87 PolarHBondContact O-N 3.3Å |
| 84 | Q | 95.8 | Very high | 88 | Confident | 113 Ų | 113 | 122 Ų | 122 | 53% | 0.528 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -57.3 | -47.2 | 175.6 | -74.5 | 164 | 34.8 | 0 | 0 | 111.3 | M80 K81 L86 V87 E88 | M80-Q84 WeakPolarHBondContact O-CB 3.46Å; M80-Q84 WeakPolarHBondContact O-CG 3.39Å; M80-Q84 PolarHBondContact O-N 3.45Å; M80-Q84 PolarHBondContact O-NE2 2.86Å; K81-Q84 PolarHBondContact O-N 3.1Å; Q84-L86 PolarHBondContact O-N 3.46Å; Q84-V87 PolarHBondContact O-N 3.46Å; Q84-E88 WeakPolarHBondContact O-CB 3.45Å; Q84-E88 PolarHBondContact O-N 3.32Å |
| 85 | F | 95.1 | Very high | 88.5 | Confident | 138 Ų | 138 | 118.9 Ų | 118.9 | 61% | 0.605 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.1 | -42.8 | 176.9 | -180 | -98.1 | 0 | 0 | 0 | 112.5 | K81 E82 L83 V87 E88 H89 | K81-F85 WeakPolarHBondContact O-CB 3.5Å; K81-F85 PolarHBondContact O-N 3.43Å; E82-F85 PolarHBondContact O-N 3.36Å; L83-F85 VanDerWaalsContact C-N 3.33Å; L83-F85 PolarHBondContact O-N 2.76Å; F85-V87 PolarHBondContact O-N 3.07Å; F85-E88 PolarHBondContact O-N 3.35Å; F85-H89 WeakPolarHBondContact O-CB 3.45Å; F85-H89 PolarHBondContact O-N 2.76Å |
| 86 | L | 95.3 | Very high | 88.9 | Confident | 116 Ų | 116 | 114.7 Ų | 114.7 | 61% | 0.607 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.8 | -39.6 | -179.8 | -158.2 | 71.9 | 0 | 0 | 0 | 111.9 | E82 L83 Q84 H90 | E82-L86 WeakPolarHBondContact O-CB 3.5Å; E82-L86 PolarHBondContact O-N 2.85Å; L83-L86 PolarHBondContact O-N 3.35Å; Q84-L86 PolarHBondContact O-N 3.46Å; L86-H90 WeakPolarHBondContact O-CB 3.44Å; L86-H90 PolarHBondContact O-N 2.95Å |
| 87 | V | 94.6 | Very high | 87.8 | Confident | 100 Ų | 100 | 114.1 Ų | 114.1 | 61% | 0.606 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -67.7 | -47.5 | 176 | 170.4 | 0 | 0 | 0 | 0 | 111 | L83 Q84 F85 H89 H90 L91 | L83-V87 WeakPolarHBondContact O-CB 3.49Å; L83-V87 VanDerWaalsContact O-CG2 3.28Å; L83-V87 WeakPolarHBondContact O-CG2 3.2Å; L83-V87 PolarHBondContact O-N 3.3Å; Q84-V87 PolarHBondContact O-N 3.46Å; F85-V87 PolarHBondContact O-N 3.07Å; V87-H89 VanDerWaalsContact C-N 3.35Å; V87-H89 PolarHBondContact O-N 3.22Å; V87-H90 PolarHBondContact O-N 3.07Å; V87-L91 WeakPolarHBondContact O-CB 3.45Å; V87-L91 PolarHBondContact O-N 3.16Å |
| 88 | E | 94.3 | Very high | 86.6 | Confident | 138 Ų | 138 | 113.4 Ų | 113.4 | 65% | 0.645 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.5 | -45.8 | 178.2 | -176 | 176.1 | -175.7 | 0 | 0 | 111.1 | Q84 F85 H90 L91 Y92 | Q84-E88 WeakPolarHBondContact O-CB 3.45Å; Q84-E88 PolarHBondContact O-N 3.32Å; F85-E88 PolarHBondContact O-N 3.35Å; E88-H90 VanDerWaalsContact C-N 3.35Å; E88-H90 PolarHBondContact O-N 2.98Å; E88-L91 PolarHBondContact O-N 2.98Å; E88-Y92 VanDerWaalsContact O-CB 3.29Å; E88-Y92 WeakPolarHBondContact O-CB 3.28Å; E88-Y92 PolarHBondContact O-N 2.7Å |
| 89 | H | 93.9 | Very high | 85.1 | Confident | 86 Ų | 86 | 113.4 Ų | 113.4 | 40% | 0.398 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.7 | -42.3 | 175.8 | -179.3 | -90.6 | 0 | 0 | 0 | 112.2 | F85 V87 Y92 R93 | F85-H89 WeakPolarHBondContact O-CB 3.45Å; F85-H89 PolarHBondContact O-N 2.76Å; V87-H89 VanDerWaalsContact C-N 3.35Å; V87-H89 PolarHBondContact O-N 3.22Å; H89-Y92 PolarHBondContact O-N 3.34Å; H89-R93 WeakPolarHBondContact O-CB 3.12Å; H89-R93 VanDerWaalsContact O-CG 3.22Å; H89-R93 WeakPolarHBondContact O-CG 3.37Å; H89-R93 PolarHBondContact O-N 3.08Å |
| 90 | H | 93.6 | Very high | 83.1 | Confident | 122 Ų | 122 | 116.2 Ų | 116.2 | 57% | 0.565 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.3 | -45.4 | 176.7 | -179.1 | 78.1 | 0 | 0 | 0 | 112 | L86 V87 E88 Y92 R93 Q94 | L86-H90 WeakPolarHBondContact O-CB 3.44Å; L86-H90 PolarHBondContact O-N 2.95Å; V87-H90 PolarHBondContact O-N 3.07Å; E88-H90 VanDerWaalsContact C-N 3.35Å; E88-H90 PolarHBondContact O-N 2.98Å; H90-Y92 VanDerWaalsContact C-N 3.33Å; H90-Y92 PolarHBondContact O-N 2.99Å; H90-R93 PolarHBondContact O-N 3.34Å; H90-Q94 WeakPolarHBondContact O-CB 3.31Å; H90-Q94 PolarHBondContact O-N 3.28Å |
| 91 | L | 91.4 | Very high | 81.1 | Confident | 88 Ų | 88 | 119.2 Ų | 119.2 | 46% | 0.461 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -66.8 | -36.4 | 179.1 | -174.5 | 61.2 | 0 | 0 | 0 | 111.8 | V87 E88 Q94 Q95 | V87-L91 WeakPolarHBondContact O-CB 3.45Å; V87-L91 PolarHBondContact O-N 3.16Å; E88-L91 PolarHBondContact O-N 2.98Å; L91-Q94 PolarHBondContact O-N 3.01Å; L91-Q95 WeakPolarHBondContact O-CG 3.42Å; L91-Q95 PolarHBondContact O-N 3.15Å; L91-Q95 VanDerWaalsContact O-N 3.08Å; L91-Q95 PolarHBondContact O-NE2 2.76Å |
| 92 | Y | 84.7 | Confident | 78.8 | Confident | 147 Ų | 147 | 114.7 Ų | 114.7 | 58% | 0.576 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.5 | -38.6 | 174.9 | -173 | -113.8 | 0 | 0 | 0 | 112.1 | E88 H89 H90 Q96 | E88-Y92 VanDerWaalsContact O-CB 3.29Å; E88-Y92 WeakPolarHBondContact O-CB 3.28Å; E88-Y92 PolarHBondContact O-N 2.7Å; H89-Y92 PolarHBondContact O-N 3.34Å; H90-Y92 VanDerWaalsContact C-N 3.33Å; H90-Y92 PolarHBondContact O-N 2.99Å; Y92-Q96 PolarHBondContact O-N 3Å; Y92-Q96 PolarHBondContact O-NE2 3.44Å |
| 93 | R | 85.1 | Confident | 76.8 | Confident | 142 Ų | 142 | 115 Ų | 115 | 54% | 0.536 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -66.2 | -39.9 | 172 | -74.1 | -100.1 | -74.4 | -137.3 | -0.3 | 112.2 | H89 H90 Q96 | H89-R93 WeakPolarHBondContact O-CB 3.12Å; H89-R93 VanDerWaalsContact O-CG 3.22Å; H89-R93 WeakPolarHBondContact O-CG 3.37Å; H89-R93 PolarHBondContact O-N 3.08Å; H90-R93 PolarHBondContact O-N 3.34Å; R93-Q96 PolarHBondContact O-N 3.07Å |
| 94 | Q | 81.5 | Confident | 74.5 | Confident | 133 Ų | 133 | 116.1 Ų | 116.1 | 62% | 0.621 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66.1 | -36.8 | 179 | -170.3 | 178.2 | 39.9 | 0 | 0 | 112.2 | H90 L91 | H90-Q94 WeakPolarHBondContact O-CB 3.31Å; H90-Q94 PolarHBondContact O-N 3.28Å; L91-Q94 PolarHBondContact O-N 3.01Å |
| 95 | Q | 77.3 | Confident | 72 | Confident | 144 Ų | 144 | 118.4 Ų | 118.4 | 67% | 0.673 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -73.6 | -23 | 178.2 | -78.8 | 169 | 96.6 | 0 | 0 | 114.2 | L91 G97 | L91-Q95 WeakPolarHBondContact O-CG 3.42Å; L91-Q95 PolarHBondContact O-N 3.15Å; L91-Q95 VanDerWaalsContact O-N 3.08Å; L91-Q95 PolarHBondContact O-NE2 2.76Å; Q95-G97 VanDerWaalsContact C-N 3.26Å; Q95-G97 PolarHBondContact O-N 3.3Å |
| 96 | Q | 70.2 | Confident | 69.9 | Low | 122 Ų | 122 | 117.3 Ų | 117.3 | 57% | 0.57 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | 1.3 | -178.6 | -86.2 | 168.9 | 88.2 | 0 | 0 | 114.8 | Y92 R93 | Y92-Q96 PolarHBondContact O-N 3Å; Y92-Q96 PolarHBondContact O-NE2 3.44Å; R93-Q96 PolarHBondContact O-N 3.07Å |
| 97 | G | 54.8 | Low | 67.9 | Low | 48 Ų | 48 | 116.4 Ų | 116.4 | 50% | 0.495 | 65% | 0.652 | S | S | . | * | trans | 76 | 136.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q95 G99 | Q95-G97 VanDerWaalsContact C-N 3.26Å; Q95-G97 PolarHBondContact O-N 3.3Å; G97-G99 PolarHBondContact O-N 3.35Å; G97-G99 VanDerWaalsContact O-N 3.09Å | ||
| 98 | A | 56 | Low | 65.6 | Low | 119 Ų | 119 | 119.2 Ų | 119.2 | 98% | 0.983 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -52 | 114.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 99 | G | 53.8 | Low | 63.5 | Low | 75 Ų | 75 | 118.6 Ų | 118.6 | 77% | 0.773 | 67% | 0.673 | S | S | * | * | trans | -178.5 | 37.4 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | G97 | G97-G99 PolarHBondContact O-N 3.35Å; G97-G99 VanDerWaalsContact O-N 3.09Å | ||
| 100 | D | 49.5 | Very low | 61.5 | Low | 135 Ų | 135 | 121.8 Ų | 121.8 | 72% | 0.722 | 69% | 0.693 | S | S | * | * | trans | -152.2 | 113.5 | 156.2 | -167.5 | 24.5 | 0 | 0 | 0 | 109.3 | C102 | D100-C102 VanDerWaalsContact C-N 3.26Å; D100-C102 PolarHBondContact O-N 2.89Å | ||
| 101 | E | 52.5 | Low | 59.3 | Low | 190 Ų | 190 | 127.1 Ų | 127.1 | 89% | 0.888 | 71% | 0.708 | S | S | * | * | trans | -61 | 87.3 | 169.6 | -76.8 | -142.7 | 94 | 0 | 0 | 109.8 | ||||
| 102 | C | 46.7 | Very low | 57.4 | Low | 74 Ų | 74 | 128.3 Ų | 128.3 | 50% | 0.5 | 72% | 0.722 | S | S | . | * | trans | -131.6 | 57.5 | 156.6 | -153.2 | 0 | 0 | 0 | 0 | 109.1 | D100 S104 | D100-C102 VanDerWaalsContact C-N 3.26Å; D100-C102 PolarHBondContact O-N 2.89Å; C102-S104 PolarHBondContact O-N 3.49Å | ||
| 103 | S | 51.1 | Low | 55.7 | Low | 116 Ų | 116 | 126.3 Ų | 126.3 | 81% | 0.811 | 73% | 0.729 | S | S | * | * | trans | -60.5 | 101.1 | 136.1 | -122.2 | 0 | 0 | 0 | 0 | 104.8 | E105 | S103-E105 PolarHBondContact O-N 3.35Š| ||
| 104 | S | 48.6 | Very low | 54.1 | Low | 93 Ų | 93 | 125.5 Ų | 125.5 | 65% | 0.65 | 74% | 0.742 | S | S | * | * | trans | -63.8 | 92.8 | 167.3 | -55.3 | 0 | 0 | 0 | 0 | 107.1 | C102 S106 | C102-S104 PolarHBondContact O-N 3.49Å; S104-S106 PolarHBondContact O-N 3.41Å; S104-S106 VanDerWaalsContact O-N 3.16Å | ||
| 105 | E | 42.8 | Very low | 52.3 | Low | 160 Ų | 160 | 125.8 Ų | 125.8 | 75% | 0.748 | 75% | 0.748 | S | S | * | * | trans | 19.5 | 90.5 | 133.4 | 42.9 | -178.8 | 101.4 | 0 | 0 | 113.3 | S103 C107 | S103-E105 PolarHBondContact O-N 3.35Å; E105-C107 PolarHBondContact O-N 2.81Å | ||
| 106 | S | 50 | Low | 50.8 | Low | 116 Ų | 116 | 123.2 Ų | 123.2 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | trans | -56.4 | 93 | 153 | 167.3 | 0 | 0 | 0 | 0 | 107.7 | S104 L108 | S104-S106 PolarHBondContact O-N 3.41Å; S104-S106 VanDerWaalsContact O-N 3.16Å; S106-L108 PolarHBondContact O-N 2.82Å | ||
| 107 | C | 53.9 | Low | 49.4 | Very low | 96 Ų | 96 | 124 Ų | 124 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | trans | -57.3 | 126.2 | 170.9 | -67.1 | 0 | 0 | 0 | 0 | 109.6 | E105 | E105-C107 PolarHBondContact O-N 2.81Š| ||
| 108 | L | 46.2 | Very low | 49 | Very low | 160 Ų | 160 | 126.8 Ų | 126.8 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | trans | 95 | 81.8 | 165 | -45.5 | -172.8 | 0 | 0 | 0 | 116.3 | S106 D110 | S106-L108 PolarHBondContact O-N 2.82Å; L108-D110 PolarHBondContact O-N 3.17Å | ||
| 109 | S | 51.3 | Low | 48.6 | Very low | 125 Ų | 125 | 128 Ų | 128 | 87% | 0.874 | 76% | 0.764 | S | S | * | * | trans | -53.1 | 117.1 | 141.3 | -58.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 110 | D | 50.3 | Low | 48 | Very low | 153 Ų | 153 | 127.1 Ų | 127.1 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -151.9 | 89.8 | 142.8 | -168.1 | 62.7 | 0 | 0 | 0 | 109.7 | L108 | L108-D110 PolarHBondContact O-N 3.17Š| ||
| 111 | R | 48 | Very low | 48.1 | Very low | 233 Ų | 233 | 129.5 Ų | 129.5 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | trans | -162.3 | 130.6 | 144.9 | -124.1 | 178.4 | 172.6 | -136.7 | -2.7 | 109.8 | S113 | R111-S113 PolarHBondContact O-N 3.26Š| ||
| 112 | P | 51.5 | Low | 47.9 | Very low | 114 Ų | 114 | 128.4 Ų | 128.4 | 74% | 0.74 | 76% | 0.756 | S | S | * | * | trans | -67.4 | 132.2 | 179.9 | 28.1 | -33.2 | 0 | 0 | 0 | 110 | ||||
| 113 | S | 48.9 | Very low | 48.1 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -61.6 | 129.9 | 167.3 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | R111 | R111-S113 PolarHBondContact O-N 3.26Š| ||
| 114 | P | 51.9 | Low | 48.1 | Very low | 124 Ų | 124 | 131.5 Ų | 131.5 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | trans | -90.5 | 106.2 | 155.2 | 31.8 | -24.4 | 0 | 0 | 0 | 108.5 | ||||
| 115 | D | 43 | Very low | 48.4 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | -74.6 | 145.7 | 166.3 | -155 | -25 | 0 | 0 | 0 | 110.1 | ||||
| 116 | S | 45.4 | Very low | 48.8 | Very low | 91 Ų | 91 | 132.9 Ų | 132.9 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | trans | 91.7 | 91 | 151 | -53.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 117 | V | 42.1 | Very low | 49.4 | Very low | 137 Ų | 137 | 131.8 Ų | 131.8 | 83% | 0.83 | 75% | 0.749 | S | S | * | * | 63.9 | 148.3 | 116 | 174.4 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 118 | P | 45.6 | Very low | 49.8 | Very low | 107 Ų | 107 | 135 Ų | 135 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | cis | -132.1 | 170.1 | 16.3 | 24 | 1.5 | 0 | 0 | 0 | 117.9 | ||||
| 119 | T | 47.1 | Very low | 50.8 | Low | 145 Ų | 145 | 130.8 Ų | 130.8 | 89% | 0.89 | 74% | 0.743 | S | S | * | * | trans | -6.7 | 121.2 | 144.4 | -49.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 120 | G | 41.7 | Very low | 51.9 | Low | 56 Ų | 56 | 128.3 Ų | 128.3 | 58% | 0.577 | 72% | 0.723 | S | S | * | * | trans | 177 | 118.7 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 121 | E | 52.2 | Low | 53.3 | Low | 185 Ų | 185 | 123.5 Ų | 123.5 | 86% | 0.864 | 70% | 0.704 | S | S | * | * | trans | -39.6 | 124.7 | 172.9 | 43.5 | -94.6 | 104.1 | 0 | 0 | 116.3 | ||||
| 122 | E | 48.2 | Very low | 54.9 | Low | 167 Ų | 167 | 118.4 Ų | 118.4 | 78% | 0.78 | 69% | 0.69 | S | S | * | * | trans | -163.6 | 106 | 142 | -146 | -162 | 129.8 | 0 | 0 | 111.3 | ||||
| 123 | L | 49.8 | Very low | 56.6 | Low | 145 Ų | 145 | 115.8 Ų | 115.8 | 76% | 0.759 | 68% | 0.678 | S | S | * | * | trans | -57.7 | 139.9 | 158.9 | -172.8 | 84.4 | 0 | 0 | 0 | 108.2 | H125 | L123-H125 PolarHBondContact O-N 3.45Š| ||
| 124 | P | 51.1 | Low | 58.4 | Low | 111 Ų | 111 | 117.2 Ų | 117.2 | 72% | 0.721 | 67% | 0.671 | S | S | * | * | trans | -56.5 | 119.2 | 173 | -17.2 | 28.9 | 0 | 0 | 0 | 108.8 | D126 | P124-D126 PolarHBondContact O-N 3.35Š| ||
| 125 | H | 55 | Low | 60.2 | Low | 143 Ų | 143 | 116.1 Ų | 116.1 | 66% | 0.662 | 66% | 0.655 | S | S | * | * | trans | -43.3 | 119 | 170.4 | -166.4 | 67.9 | 0 | 0 | 0 | 109.2 | L123 D127 | L123-H125 PolarHBondContact O-N 3.45Å; H125-D127 IonicContact CD2-OD1 3.59Å; H125-D127 PolarHBondContact O-N 2.93Å | ||
| 126 | D | 52 | Low | 62.4 | Low | 138 Ų | 138 | 116.5 Ų | 116.5 | 74% | 0.738 | 65% | 0.65 | S | S | * | * | trans | -61.3 | 90.1 | 167.6 | -102.6 | -57.1 | 0 | 0 | 0 | 106.9 | P124 E128 | P124-D126 PolarHBondContact O-N 3.35Å; D126-E128 PolarHBondContact O-N 2.8Å | ||
| 127 | D | 63.3 | Low | 64.7 | Low | 94 Ų | 94 | 117 Ų | 117 | 50% | 0.503 | 65% | 0.645 | S | S | . | * | trans | -61.7 | 104.7 | 168.6 | -71.9 | -50.7 | 0 | 0 | 0 | 106.4 | H125 A129 T130 | H125-D127 IonicContact CD2-OD1 3.59Å; H125-D127 PolarHBondContact O-N 2.93Å; D127-A129 PolarHBondContact O-N 3.47Å; D127-T130 WeakPolarHBondContact O-CB 3.4Å; D127-T130 PolarHBondContact O-N 3.19Å | ||
| 128 | E | 62.1 | Low | 66.9 | Low | 164 Ų | 164 | 116.7 Ų | 116.7 | 77% | 0.766 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -51.1 | -27.9 | -179.8 | -172.3 | 161.1 | 169.2 | 0 | 0 | 112.1 | D126 T130 A131 E132 | D126-E128 PolarHBondContact O-N 2.8Å; E128-T130 VanDerWaalsContact C-N 3.29Å; E128-T130 PolarHBondContact O-N 3.11Å; E128-A131 PolarHBondContact O-N 3.18Å; E128-E132 WeakPolarHBondContact O-CB 3.17Å; E128-E132 PolarHBondContact O-N 2.73Å |
| 129 | A | 66.8 | Low | 68.9 | Low | 70 Ų | 70 | 114.9 Ų | 114.9 | 58% | 0.579 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -60.4 | -32.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D127 A133 | D127-A129 PolarHBondContact O-N 3.47Å; A129-A133 VanDerWaalsContact O-CB 3.32Å; A129-A133 WeakPolarHBondContact O-CB 3.47Å; A129-A133 PolarHBondContact O-N 3.41Å; A129-A133 VanDerWaalsContact O-N 3.07Å |
| 130 | T | 73.3 | Confident | 71 | Confident | 74 Ų | 74 | 113.9 Ų | 113.9 | 45% | 0.454 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -77.7 | -43.9 | 178 | -56.6 | 0 | 0 | 0 | 0 | 110.5 | D127 E128 E132 A133 F134 | D127-T130 WeakPolarHBondContact O-CB 3.4Å; D127-T130 PolarHBondContact O-N 3.19Å; E128-T130 VanDerWaalsContact C-N 3.29Å; E128-T130 PolarHBondContact O-N 3.11Å; T130-E132 VanDerWaalsContact C-N 3.34Å; T130-E132 PolarHBondContact O-N 2.83Å; T130-A133 PolarHBondContact O-N 3.03Å; T130-F134 HydrophobicContact CG2-CD2 3.87Å; T130-F134 HydrophobicContact CG2-CE2 3.55Å; T130-F134 WeakPolarHBondContact O-CD2 3.26Å; T130-F134 PolarHBondContact O-N 2.99Å; T130-F134 VanDerWaalsContact O-N 3.07Å |
| 131 | A | 79.8 | Confident | 73.2 | Confident | 51 Ų | 51 | 117.9 Ų | 117.9 | 42% | 0.421 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -60.7 | -44.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E128 A133 F134 E135 | E128-A131 PolarHBondContact O-N 3.18Å; A131-A133 VanDerWaalsContact C-N 3.34Å; A131-A133 PolarHBondContact O-N 3.01Å; A131-F134 PolarHBondContact O-N 2.71Å; A131-E135 WeakPolarHBondContact O-CB 3.36Å; A131-E135 PolarHBondContact O-N 3.45Å |
| 132 | E | 81.3 | Confident | 74.6 | Confident | 126 Ų | 126 | 113.5 Ų | 113.5 | 59% | 0.589 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -62.2 | -39.9 | 174.9 | -167.7 | -167.7 | 169.8 | 0 | 0 | 111.6 | E128 T130 F134 E135 K136 | E128-E132 WeakPolarHBondContact O-CB 3.17Å; E128-E132 PolarHBondContact O-N 2.73Å; T130-E132 VanDerWaalsContact C-N 3.34Å; T130-E132 PolarHBondContact O-N 2.83Å; E132-F134 PolarHBondContact O-N 3.12Å; E132-E135 PolarHBondContact O-N 3.36Å; E132-K136 WeakPolarHBondContact O-CB 3.28Å; E132-K136 PolarHBondContact O-N 3.32Å |
| 133 | A | 88.6 | Confident | 76.1 | Confident | 59 Ų | 59 | 111.5 Ų | 111.5 | 49% | 0.488 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.4 | -40.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A129 T130 A131 L137 | A129-A133 VanDerWaalsContact O-CB 3.32Å; A129-A133 WeakPolarHBondContact O-CB 3.47Å; A129-A133 PolarHBondContact O-N 3.41Å; A129-A133 VanDerWaalsContact O-N 3.07Å; T130-A133 PolarHBondContact O-N 3.03Å; A131-A133 VanDerWaalsContact C-N 3.34Å; A131-A133 PolarHBondContact O-N 3.01Å; A133-L137 WeakPolarHBondContact O-CB 3.48Å; A133-L137 PolarHBondContact O-N 3.01Å |
| 134 | F | 86.4 | Confident | 77.4 | Confident | 135 Ų | 135 | 112 Ų | 112 | 59% | 0.592 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -70.3 | -39 | 175.9 | -77.2 | -68.5 | 0 | 0 | 0 | 112.4 | T130 A131 E132 L137 R138 | T130-F134 HydrophobicContact CG2-CD2 3.87Å; T130-F134 HydrophobicContact CG2-CE2 3.55Å; T130-F134 WeakPolarHBondContact O-CD2 3.26Å; T130-F134 PolarHBondContact O-N 2.99Å; T130-F134 VanDerWaalsContact O-N 3.07Å; A131-F134 PolarHBondContact O-N 2.71Å; E132-F134 PolarHBondContact O-N 3.12Å; F134-L137 PolarHBondContact O-N 2.9Å; F134-R138 PolarHBondContact O-N 3.25Å |
| 135 | E | 88.6 | Confident | 78.8 | Confident | 102 Ų | 102 | 110.4 Ų | 110.4 | 48% | 0.477 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.9 | -42.5 | 174.2 | -174.5 | 130.8 | -122.5 | 0 | 0 | 111.6 | A131 E132 L137 R138 C139 | A131-E135 WeakPolarHBondContact O-CB 3.36Å; A131-E135 PolarHBondContact O-N 3.45Å; E132-E135 PolarHBondContact O-N 3.36Å; E135-L137 PolarHBondContact O-N 3.46Å; E135-R138 VanDerWaalsContact O-CB 3.31Å; E135-R138 WeakPolarHBondContact O-CB 3.48Å; E135-R138 PolarHBondContact O-N 3.38Å; E135-R138 VanDerWaalsContact O-N 3.16Å; E135-R138 IonicContact OE1-CZ 3.79Å; E135-R138 IonicContact OE1-NH1 2.7Å; E135-R138 PolarHBondContact OE1-NH1 2.97Å; E135-C139 PolarHBondContact O-N 3.4Å; E135-C139 PolarHBondContact O-SG 3.45Å; E135-C139 VanDerWaalsContact O-SG 3.37Å |
| 136 | K | 91.1 | Very high | 79.5 | Confident | 147 Ų | 147 | 110.9 Ų | 110.9 | 64% | 0.639 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.7 | -39 | 176.7 | -170.1 | 167.9 | -176.6 | -179.2 | 0 | 112.8 | E132 R138 C139 Q140 | E132-K136 WeakPolarHBondContact O-CB 3.28Å; E132-K136 PolarHBondContact O-N 3.32Å; K136-R138 VanDerWaalsContact C-N 3.33Å; K136-C139 PolarHBondContact O-N 3.36Å; K136-Q140 WeakPolarHBondContact O-CB 3.35Å; K136-Q140 PolarHBondContact O-N 2.9Å |
| 137 | L | 93.2 | Very high | 79.7 | Confident | 100 Ų | 100 | 110.6 Ų | 110.6 | 52% | 0.524 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.7 | -39.3 | 173.4 | -176.5 | 64.9 | 0 | 0 | 0 | 111.5 | A133 F134 E135 Q140 M141 | A133-L137 WeakPolarHBondContact O-CB 3.48Å; A133-L137 PolarHBondContact O-N 3.01Å; F134-L137 PolarHBondContact O-N 2.9Å; E135-L137 PolarHBondContact O-N 3.46Å; L137-Q140 PolarHBondContact O-N 3.02Å; L137-M141 PolarHBondContact O-N 3.31Å |
| 138 | R | 87.6 | Confident | 79.8 | Confident | 131 Ų | 131 | 110.1 Ų | 110.1 | 49% | 0.494 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62 | -49.4 | 175.6 | -166.2 | -164.1 | -47.9 | 127 | 3.6 | 111 | F134 E135 K136 Q140 M141 E142 | F134-R138 PolarHBondContact O-N 3.25Å; E135-R138 VanDerWaalsContact O-CB 3.31Å; E135-R138 WeakPolarHBondContact O-CB 3.48Å; E135-R138 PolarHBondContact O-N 3.38Å; E135-R138 VanDerWaalsContact O-N 3.16Å; E135-R138 IonicContact OE1-CZ 3.79Å; E135-R138 IonicContact OE1-NH1 2.7Å; E135-R138 PolarHBondContact OE1-NH1 2.97Å; K136-R138 VanDerWaalsContact C-N 3.33Å; R138-Q140 VanDerWaalsContact C-N 3.33Å; R138-Q140 PolarHBondContact O-N 2.94Å; R138-M141 PolarHBondContact O-N 3.24Å; R138-E142 PolarHBondContact O-N 3.43Å |
| 139 | C | 88.3 | Confident | 79.5 | Confident | 70 Ų | 70 | 108.6 Ų | 108.6 | 47% | 0.473 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.4 | -42.4 | 176.5 | -68 | 0 | 0 | 0 | 0 | 111.7 | E135 K136 M141 E142 E143 | E135-C139 PolarHBondContact O-N 3.4Å; E135-C139 PolarHBondContact O-SG 3.45Å; E135-C139 VanDerWaalsContact O-SG 3.37Å; K136-C139 PolarHBondContact O-N 3.36Å; C139-M141 PolarHBondContact O-N 2.95Å; C139-E142 PolarHBondContact O-N 3.5Å; C139-E143 WeakPolarHBondContact O-CB 3.21Å; C139-E143 PolarHBondContact O-N 2.87Å |
| 140 | Q | 91.4 | Very high | 78.8 | Confident | 124 Ų | 124 | 111.3 Ų | 111.3 | 58% | 0.579 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -63 | -40.5 | 178 | 179.6 | 172.7 | 81.2 | 0 | 0 | 112.6 | K136 L137 R138 E142 E143 F144 | K136-Q140 WeakPolarHBondContact O-CB 3.35Å; K136-Q140 PolarHBondContact O-N 2.9Å; L137-Q140 PolarHBondContact O-N 3.02Å; R138-Q140 VanDerWaalsContact C-N 3.33Å; R138-Q140 PolarHBondContact O-N 2.94Å; Q140-E142 VanDerWaalsContact C-N 3.34Å; Q140-E143 PolarHBondContact O-N 3.46Å; Q140-F144 WeakPolarHBondContact O-CB 3.48Å; Q140-F144 PolarHBondContact O-N 3.42Å |
| 141 | M | 86.6 | Confident | 77.7 | Confident | 140 Ų | 140 | 115.2 Ų | 115.2 | 69% | 0.69 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -68.8 | -35.9 | 177.9 | -168.8 | 172.7 | 67.3 | 0 | 0 | 111.7 | L137 R138 C139 S145 | L137-M141 PolarHBondContact O-N 3.31Å; R138-M141 PolarHBondContact O-N 3.24Å; C139-M141 PolarHBondContact O-N 2.95Å; M141-S145 WeakPolarHBondContact O-CB 3.29Å; M141-S145 PolarHBondContact O-N 2.94Å; M141-S145 VanDerWaalsContact O-N 3.14Å |
| 142 | E | 82.5 | Confident | 76.1 | Confident | 93 Ų | 93 | 116.4 Ų | 116.4 | 44% | 0.435 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -71 | -39.4 | 175.2 | -174.7 | 166 | -168.1 | 0 | 0 | 112.2 | R138 C139 Q140 S145 R146 | R138-E142 PolarHBondContact O-N 3.43Å; C139-E142 PolarHBondContact O-N 3.5Å; Q140-E142 VanDerWaalsContact C-N 3.34Å; E142-S145 WeakPolarHBondContact O-CB 3.38Å; E142-S145 PolarHBondContact O-N 3.48Å; E142-R146 WeakPolarHBondContact O-CB 3.41Å; E142-R146 VanDerWaalsContact O-CG 3.27Å; E142-R146 WeakPolarHBondContact O-CG 3.22Å; E142-R146 PolarHBondContact O-N 2.89Å; E142-R146 IonicContact OE1-CZ 3.42Å; E142-R146 IonicContact OE1-NE 3.23Å; E142-R146 PolarHBondContact OE1-NE 3.48Å; E142-R146 IonicContact OE1-NH2 2.74Å; E142-R146 PolarHBondContact OE1-NH2 3.44Å |
| 143 | E | 80.1 | Confident | 74.2 | Confident | 124 Ų | 124 | 114.1 Ų | 114.1 | 58% | 0.579 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.2 | -45.9 | 175.1 | -170.7 | 175.8 | -159.9 | 0 | 0 | 111.1 | C139 Q140 S145 R146 E147 | C139-E143 WeakPolarHBondContact O-CB 3.21Å; C139-E143 PolarHBondContact O-N 2.87Å; Q140-E143 PolarHBondContact O-N 3.46Å; E143-S145 VanDerWaalsContact C-N 3.25Å; E143-S145 PolarHBondContact O-N 3.4Å; E143-R146 PolarHBondContact O-N 2.88Å; E143-R146 VanDerWaalsContact O-N 3.15Å; E143-E147 WeakPolarHBondContact O-CB 3.42Å; E143-E147 PolarHBondContact O-N 2.98Å |
| 144 | F | 77.3 | Confident | 71.6 | Confident | 156 Ų | 156 | 114.8 Ų | 114.8 | 68% | 0.684 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -61 | -35.3 | 174.7 | -173.9 | -98.2 | 0 | 0 | 0 | 112.6 | Q140 S148 | Q140-F144 WeakPolarHBondContact O-CB 3.48Å; Q140-F144 PolarHBondContact O-N 3.42Å; F144-S148 PolarHBondContact O-N 3.42Å; F144-S148 PolarHBondContact O-OG 3.29Å; F144-S148 VanDerWaalsContact O-OG 3.08Å |
| 145 | S | 78.9 | Confident | 69.6 | Low | 78 Ų | 78 | 117.4 Ų | 117.4 | 55% | 0.545 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -72.1 | -34.5 | 176.8 | -169.9 | 0 | 0 | 0 | 0 | 112.7 | M141 E142 E143 | M141-S145 WeakPolarHBondContact O-CB 3.29Å; M141-S145 PolarHBondContact O-N 2.94Å; M141-S145 VanDerWaalsContact O-N 3.14Å; E142-S145 WeakPolarHBondContact O-CB 3.38Å; E142-S145 PolarHBondContact O-N 3.48Å; E143-S145 VanDerWaalsContact C-N 3.25Å; E143-S145 PolarHBondContact O-N 3.4Å |
| 146 | R | 70 | Confident | 67.3 | Low | 153 Ų | 153 | 120.3 Ų | 120.3 | 58% | 0.577 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -76.3 | -41.8 | 177.6 | -71.2 | 170.7 | 179.2 | -105.9 | 3.3 | 111.3 | E142 E143 S148 L149 L150 | E142-R146 WeakPolarHBondContact O-CB 3.41Å; E142-R146 VanDerWaalsContact O-CG 3.27Å; E142-R146 WeakPolarHBondContact O-CG 3.22Å; E142-R146 PolarHBondContact O-N 2.89Å; E142-R146 IonicContact OE1-CZ 3.42Å; E142-R146 IonicContact OE1-NE 3.23Å; E142-R146 PolarHBondContact OE1-NE 3.48Å; E142-R146 IonicContact OE1-NH2 2.74Å; E142-R146 PolarHBondContact OE1-NH2 3.44Å; E143-R146 PolarHBondContact O-N 2.88Å; E143-R146 VanDerWaalsContact O-N 3.15Å; R146-S148 VanDerWaalsContact C-N 3.28Å; R146-S148 PolarHBondContact O-N 3.25Å; R146-L149 PolarHBondContact O-N 2.91Å; R146-L150 WeakPolarHBondContact O-CD1 3.45Å; R146-L150 PolarHBondContact O-N 3.16Å |
| 147 | E | 57 | Low | 65.1 | Low | 132 Ų | 132 | 121.5 Ų | 121.5 | 62% | 0.617 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -59.4 | -38.8 | 174.9 | -164.4 | 93.4 | -144.8 | 0 | 0 | 111.3 | E143 L149 L150 D151 | E143-E147 WeakPolarHBondContact O-CB 3.42Å; E143-E147 PolarHBondContact O-N 2.98Å; E147-L149 PolarHBondContact O-N 3.08Å; E147-L149 VanDerWaalsContact O-N 3.15Å; E147-L150 PolarHBondContact O-N 3.39Å; E147-D151 PolarHBondContact O-N 3.22Å |
| 148 | S | 65.2 | Low | 62.3 | Low | 83 Ų | 83 | 122 Ų | 122 | 58% | 0.58 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -62.1 | -19.1 | 174.4 | -72.4 | 0 | 0 | 0 | 0 | 114.5 | F144 R146 | F144-S148 PolarHBondContact O-N 3.42Å; F144-S148 PolarHBondContact O-OG 3.29Å; F144-S148 VanDerWaalsContact O-OG 3.08Å; R146-S148 VanDerWaalsContact C-N 3.28Å; R146-S148 PolarHBondContact O-N 3.25Å |
| 149 | L | 55.4 | Low | 60.2 | Low | 133 Ų | 133 | 121.3 Ų | 121.3 | 70% | 0.696 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -99.8 | -29.4 | 179.3 | -151.8 | 156.6 | 0 | 0 | 0 | 111.5 | R146 E147 D151 A152 | R146-L149 PolarHBondContact O-N 2.91Å; E147-L149 PolarHBondContact O-N 3.08Å; E147-L149 VanDerWaalsContact O-N 3.15Å; L149-D151 VanDerWaalsContact C-N 3.28Å; L149-D151 PolarHBondContact O-N 2.86Å; L149-A152 PolarHBondContact O-N 3.09Å |
| 150 | L | 52.3 | Low | 57.8 | Low | 126 Ų | 126 | 125 Ų | 125 | 66% | 0.66 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -74.6 | -10.6 | 179.7 | -74.6 | 154.7 | 0 | 0 | 0 | 114.3 | R146 E147 A152 | R146-L150 WeakPolarHBondContact O-CD1 3.45Å; R146-L150 PolarHBondContact O-N 3.16Å; E147-L150 PolarHBondContact O-N 3.39Å; L150-A152 PolarHBondContact O-N 2.78Å |
| 151 | D | 50.5 | Low | 55.2 | Low | 156 Ų | 156 | 124.6 Ų | 124.6 | 83% | 0.834 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -11.3 | 167.2 | -171 | 54.5 | 0 | 0 | 0 | 113 | E147 L149 | E147-D151 PolarHBondContact O-N 3.22Å; L149-D151 VanDerWaalsContact C-N 3.28Å; L149-D151 PolarHBondContact O-N 2.86Å |
| 152 | A | 44.9 | Very low | 53.4 | Low | 77 Ų | 77 | 125.5 Ų | 125.5 | 64% | 0.636 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -125.4 | 95.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | L149 L150 | L149-A152 PolarHBondContact O-N 3.09Å; L150-A152 PolarHBondContact O-N 2.78Å |
| 153 | G | 41.3 | Very low | 51.2 | Low | 77 Ų | 77 | 130.6 Ų | 130.6 | 79% | 0.794 | 73% | 0.727 | S | S | * | * | trans | -49 | 147.5 | -169 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 154 | G | 35.7 | Very low | 49.5 | Very low | 73 Ų | 73 | 131.9 Ų | 131.9 | 75% | 0.753 | 73% | 0.73 | S | S | * | * | trans | 163.2 | 97.6 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L156 | G154-L156 PolarHBondContact O-N 3.4Š| ||
| 155 | E | 43.3 | Very low | 47.7 | Very low | 190 Ų | 190 | 130.5 Ų | 130.5 | 89% | 0.888 | 73% | 0.73 | S | S | * | * | trans | -31 | 123.7 | 153.7 | -179.3 | -174.3 | 142.9 | 0 | 0 | 113.3 | ||||
| 156 | L | 41 | Very low | 45.6 | Very low | 164 Ų | 164 | 133.5 Ų | 133.5 | 86% | 0.859 | 74% | 0.74 | S | S | * | * | trans | -166.8 | 116.9 | 145.5 | -104.8 | 149.3 | 0 | 0 | 0 | 111.7 | G154 | G154-L156 PolarHBondContact O-N 3.4Š| ||
| 157 | E | 44.1 | Very low | 43.9 | Very low | 172 Ų | 172 | 131.8 Ų | 131.8 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -49.8 | 140.3 | 170.7 | -117.7 | -110.2 | 155.6 | 0 | 0 | 113.5 | ||||
| 158 | C | 35.6 | Very low | 43.2 | Very low | 111 Ų | 111 | 130.8 Ų | 130.8 | 75% | 0.75 | 76% | 0.758 | S | S | * | * | trans | -106.4 | 140.2 | 167.4 | -59.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 159 | P | 43.4 | Very low | 42.1 | Very low | 115 Ų | 115 | 132 Ų | 132 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | trans | -112.2 | 110.4 | 148.2 | 31.8 | -20.3 | 0 | 0 | 0 | 110.8 | ||||
| 160 | L | 37.3 | Very low | 41.4 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | 11.9 | 124.7 | 125.2 | -154.7 | 144.2 | 0 | 0 | 0 | 117.4 | |||||
| 161 | S | 37.6 | Very low | 40.8 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -156.6 | 110.7 | 139.6 | 59.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 162 | E | 47.3 | Very low | 40.2 | Very low | 159 Ų | 159 | 128.2 Ų | 128.2 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | trans | -58.6 | 136.9 | 162.2 | -54.3 | 176 | 118.2 | 0 | 0 | 109.9 | ||||
| 163 | E | 37.6 | Very low | 39.9 | Very low | 199 Ų | 199 | 131.2 Ų | 131.2 | 93% | 0.93 | 78% | 0.78 | S | S | * | * | trans | -141.8 | 125.2 | 146.1 | -159.1 | -178.1 | 115.3 | 0 | 0 | 109.5 | ||||
| 164 | K | 44.7 | Very low | 39.7 | Very low | 151 Ų | 151 | 131.9 Ų | 131.9 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | trans | -88.6 | 160.2 | -175.8 | -71 | 170.8 | 162.4 | 156.4 | 0 | 110.4 | ||||
| 165 | N | 38.5 | Very low | 39.9 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 68% | 0.684 | 78% | 0.778 | S | S | * | * | trans | 96.2 | 118.9 | 138 | -66.9 | -23.2 | 0 | 0 | 0 | 120.5 | ||||
| 166 | D | 34.9 | Very low | 40.3 | Very low | 141 Ų | 141 | 131.6 Ų | 131.6 | 75% | 0.754 | 77% | 0.772 | S | S | * | * | 94.5 | 102.6 | 126.6 | -67.3 | -37.8 | 0 | 0 | 0 | 120.9 | |||||
| 167 | C | 35.1 | Very low | 39.9 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | 81 | 114 | 112.7 | -148.4 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 168 | S | 41.1 | Very low | 39.6 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | 62.5 | 117.9 | 138.1 | -166.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 169 | S | 41.5 | Very low | 39.9 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | -165.1 | 126.8 | 118.2 | -177.5 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 170 | V | 41.8 | Very low | 39.7 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 74% | 0.739 | 78% | 0.778 | S | S | * | * | trans | -55.2 | 140.5 | 162.2 | 70.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 171 | A | 39.5 | Very low | 39.7 | Very low | 98 Ų | 98 | 134.8 Ų | 134.8 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | -161.4 | 116.1 | 150.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 172 | T | 38.7 | Very low | 39.5 | Very low | 116 Ų | 116 | 136 Ų | 136 | 71% | 0.712 | 77% | 0.774 | S | S | * | * | trans | -59.5 | 162.8 | 173.5 | 47.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 173 | V | 38 | Very low | 39 | Very low | 139 Ų | 139 | 132.5 Ų | 132.5 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | trans | 63.1 | 118 | 153.9 | -126.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 174 | A | 38.1 | Very low | 39 | Very low | 91 Ų | 91 | 130 Ų | 130 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | 171.7 | 120.7 | 106.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 175 | D | 39.8 | Very low | 38.6 | Very low | 141 Ų | 141 | 128.1 Ų | 128.1 | 75% | 0.754 | 77% | 0.766 | S | S | * | * | trans | -68.9 | 150 | 159.8 | 173.5 | 49.3 | 0 | 0 | 0 | 110.6 | S177 | D175-S177 PolarHBondContact OD1-N 2.94Å; D175-S177 PolarHBondContact OD2-N 3.39Å; D175-S177 VanDerWaalsContact OD2-N 3.11Å | ||
| 176 | P | 50 | Low | 38.4 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | trans | -130.1 | 102.2 | 138.6 | 33 | -20 | 0 | 0 | 0 | 112.9 | ||||
| 177 | S | 34.2 | Very low | 38.8 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 69% | 0.692 | 77% | 0.768 | S | S | * | * | 16.7 | 131.6 | 123.8 | -167.4 | 0 | 0 | 0 | 0 | 119.4 | D175 | D175-S177 PolarHBondContact OD1-N 2.94Å; D175-S177 PolarHBondContact OD2-N 3.39Å; D175-S177 VanDerWaalsContact OD2-N 3.11Å | |||
| 178 | S | 38.2 | Very low | 38.9 | Very low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -62.5 | 145.7 | 174.1 | -53.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 179 | Q | 40.9 | Very low | 38.9 | Very low | 203 Ų | 203 | 131.7 Ų | 131.7 | 95% | 0.949 | 78% | 0.778 | S | S | * | * | trans | -104.2 | 112.5 | 153.7 | -78.3 | -174.1 | -64.3 | 0 | 0 | 110.1 | ||||
| 180 | K | 39.1 | Very low | 38.6 | Very low | 206 Ų | 206 | 130.3 Ų | 130.3 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | trans | -84.8 | 132.8 | 162.3 | -79.1 | 177.6 | 172.2 | 176.3 | 0 | 108.4 | ||||
| 181 | E | 37.7 | Very low | 38.5 | Very low | 162 Ų | 162 | 129.2 Ų | 129.2 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | trans | -95.5 | 159.1 | 163.5 | 64.8 | 167.8 | -146.3 | 0 | 0 | 111.4 | ||||
| 182 | N | 33.8 | Very low | 38.6 | Very low | 141 Ų | 141 | 130.3 Ų | 130.3 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | 99 | 95.3 | 159.6 | -54.2 | -24.2 | 0 | 0 | 0 | 117.2 | ||||
| 183 | A | 35.6 | Very low | 38.8 | Very low | 85 Ų | 85 | 130.2 Ų | 130.2 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | trans | -100.7 | 139.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 184 | L | 38.1 | Very low | 38.9 | Very low | 147 Ų | 147 | 128.5 Ų | 128.5 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | 63.1 | 109.7 | 140.3 | -77.8 | 116.5 | 0 | 0 | 0 | 119.8 | ||||
| 185 | T | 36.9 | Very low | 38.9 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | 87.7 | 136.9 | 85.5 | 60.6 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 186 | D | 34.2 | Very low | 39.3 | Very low | 135 Ų | 135 | 133.7 Ų | 133.7 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | trans | 92.2 | 107.7 | 148.1 | -81.1 | -52.7 | 0 | 0 | 0 | 122.4 | ||||
| 187 | T | 43.3 | Very low | 39.3 | Very low | 124 Ų | 124 | 133.3 Ų | 133.3 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | 29.7 | 124.6 | 127.8 | 54.5 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 188 | K | 37.4 | Very low | 39.6 | Very low | 209 Ų | 209 | 134.6 Ų | 134.6 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | -179.8 | 145 | 117 | -166.9 | 158.9 | -178.4 | 174.5 | 0 | 112.9 | |||||
| 189 | A | 40.3 | Very low | 39.6 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | -60.8 | 152.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 190 | G | 34.4 | Very low | 39.9 | Very low | 79 Ų | 79 | 132.8 Ų | 132.8 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | -161.5 | 118.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 191 | A | 39.4 | Very low | 40 | Very low | 99 Ų | 99 | 133.4 Ų | 133.4 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -70.5 | 152.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 192 | S | 41.8 | Very low | 40.5 | Very low | 121 Ų | 121 | 130.7 Ų | 130.7 | 85% | 0.846 | 80% | 0.798 | S | S | * | * | 173.6 | 116.8 | 121.8 | 42.9 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 193 | S | 44.3 | Very low | 40.8 | Very low | 115 Ų | 115 | 130.9 Ų | 130.9 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -91.7 | 122.2 | 169.1 | 178.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 194 | A | 38.4 | Very low | 41.5 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -119.4 | 105 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 195 | N | 38 | Very low | 41.9 | Very low | 150 Ų | 150 | 134.7 Ų | 134.7 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | -71.7 | 142.3 | 165.3 | -84.4 | -42 | 0 | 0 | 0 | 110.5 | ||||
| 196 | Q | 49.4 | Very low | 42.4 | Very low | 192 Ų | 192 | 134.8 Ų | 134.8 | 90% | 0.897 | 81% | 0.809 | S | S | * | * | trans | -169.7 | 158.6 | 134.7 | -95.6 | -119.1 | -1.1 | 0 | 0 | 112.6 | ||||
| 197 | P | 50.3 | Low | 43.4 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | trans | -115.9 | 164.4 | -144.9 | 40.3 | -28.9 | 0 | 0 | 0 | 114.3 | ||||
| 198 | S | 39.5 | Very low | 43.7 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 88% | 0.881 | 82% | 0.821 | S | S | * | * | trans | -117.3 | 122.7 | 161.9 | 63.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 199 | G | 38.1 | Very low | 44.4 | Very low | 70 Ų | 70 | 135.4 Ų | 135.4 | 72% | 0.722 | 82% | 0.815 | S | S | * | * | trans | -87.8 | 158.1 | -165.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 200 | K | 46.6 | Very low | 45 | Very low | 203 Ų | 203 | 140.4 Ų | 140.4 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | trans | 37.6 | 119 | 131.5 | -65.7 | 177.8 | 177.8 | 176.8 | 0 | 118.9 | ||||
| 201 | K | 42.7 | Very low | 45.9 | Very low | 218 Ų | 218 | 149.4 Ų | 149.4 | 95% | 0.948 | 84% | 0.835 | S | S | * | * | -140.1 | 129.9 | 125.7 | -103.6 | 175.9 | -175.9 | 175.2 | 0 | 110.3 | |||||
| 202 | T | 47.8 | Very low | 46.3 | Very low | 106 Ų | 106 | 152 Ų | 152 | 65% | 0.65 | 84% | 0.836 | S | S | * | * | trans | -95.9 | 174.7 | -177.5 | 52 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 203 | N | 40.3 | Very low | 46.5 | Very low | 145 Ų | 145 | 153.6 Ų | 153.6 | 78% | 0.775 | 84% | 0.835 | S | S | * | * | trans | 99.9 | 134.8 | 157.8 | -52.6 | -21.5 | 0 | 0 | 0 | 113.8 | ||||
| 204 | K | 50.3 | Low | 46.6 | Very low | 187 Ų | 187 | 155.7 Ų | 155.7 | 81% | 0.813 | 84% | 0.837 | S | S | * | * | cis | -164.5 | 140.7 | 4 | -142.5 | -178.7 | 177.1 | -174.9 | 0 | 106.9 | ||||
| 205 | V | 45.4 | Very low | 47.1 | Very low | 124 Ų | 124 | 158.9 Ų | 158.9 | 75% | 0.752 | 84% | 0.836 | S | S | * | * | trans | -70.6 | 135.1 | 160.4 | 163 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 206 | S | 49 | Very low | 47.7 | Very low | 114 Ų | 114 | 159.4 Ų | 159.4 | 80% | 0.797 | 84% | 0.839 | S | S | * | * | trans | -136.6 | 115.6 | 155 | -92.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 207 | L | 54.6 | Low | 47.5 | Very low | 156 Ų | 156 | 157.3 Ų | 157.3 | 82% | 0.817 | 84% | 0.835 | S | S | * | * | trans | -69.4 | 140.4 | 161.4 | -65 | 155.9 | 0 | 0 | 0 | 108.3 | ||||
| 208 | E | 49.4 | Very low | 47.4 | Very low | 196 Ų | 196 | 160.8 Ų | 160.8 | 92% | 0.916 | 84% | 0.844 | S | S | * | * | trans | -158.4 | 134.9 | 143.1 | -117.6 | -179.5 | 119 | 0 | 0 | 112.3 | ||||
| 209 | T | 53.3 | Low | 48 | Very low | 129 Ų | 129 | 163.5 Ų | 163.5 | 79% | 0.791 | 84% | 0.841 | S | S | * | * | trans | -87.3 | 150.4 | 179.8 | 27 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 210 | K | 52.9 | Low | 48.8 | Very low | 208 Ų | 208 | 171.3 Ų | 171.3 | 90% | 0.904 | 85% | 0.851 | S | S | * | * | trans | 151.3 | 143.6 | 150.3 | -94.1 | 170.7 | 172 | 175.9 | 0 | 108.5 | ||||
| 211 | K | 53 | Low | 49 | Very low | 269 Ų | 269 | 168.4 Ų | 168.4 | 100% | 1.17 | 85% | 0.848 | S | S | * | * | cis | -160.7 | 0 | 1.3 | 173.5 | 179.7 | 178.2 | -177.5 | 0 | 105.5 |
Retrieved 211 of 211 residues in 959.3 ms
(Link to these results)