| 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 | 45.2 | Very low | 47.3 | Very low | 240 Ų | 240 | 155.5 Ų | 155.5 | 100% | 1.182 | 81% | 0.808 | S | S | * | * | 0 | 102.2 | 0 | -126.7 | 92.5 | 172.8 | 0 | 0 | 106.2 | |||||
| 2 | A | 47.5 | Very low | 47.4 | Very low | 94 Ų | 94 | 155.9 Ų | 155.9 | 78% | 0.777 | 79% | 0.793 | S | S | * | * | trans | -137.6 | 106.9 | 172 | 0 | 0 | 0 | 0 | 0 | 105.3 | F4 | A2-F4 PolarHBondContact O-N 3.3Š| ||
| 3 | D | 38.4 | Very low | 47.3 | Very low | 155 Ų | 155 | 153.4 Ų | 153.4 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -58.8 | 121.6 | -177.8 | -62.4 | -97.9 | 0 | 0 | 0 | 110.6 | ||||
| 4 | F | 47.3 | Very low | 47.8 | Very low | 211 Ų | 211 | 150 Ų | 150 | 93% | 0.925 | 79% | 0.794 | S | S | * | * | trans | -87.1 | 117.7 | 173 | -120.8 | -94.3 | 0 | 0 | 0 | 108.3 | A2 | A2-F4 PolarHBondContact O-N 3.3Š| ||
| 5 | D | 45.8 | Very low | 47.3 | Very low | 143 Ų | 143 | 149.6 Ų | 149.6 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | -31.6 | 126.1 | 171.8 | -98.7 | -109.3 | 0 | 0 | 0 | 115.2 | Y7 | D5-Y7 PolarHBondContact O-N 3.33Š| ||
| 6 | T | 51.8 | Low | 46.8 | Very low | 132 Ų | 132 | 145 Ų | 145 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -54.4 | 97.6 | 160.9 | -60 | 0 | 0 | 0 | 0 | 110.2 | D8 | T6-D8 PolarHBondContact O-N 3.13Š| ||
| 7 | Y | 43.6 | Very low | 46.4 | Very low | 205 Ų | 205 | 141 Ų | 141 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -68.5 | 107 | 163.9 | -121.6 | -102.9 | 0 | 0 | 0 | 108.7 | D5 D9 | D5-Y7 PolarHBondContact O-N 3.33Å; Y7-D9 PolarHBondContact O-N 3.32Å; Y7-D9 VanDerWaalsContact O-N 3.13Å | ||
| 8 | D | 46.3 | Very low | 45.9 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 52% | 0.524 | 79% | 0.785 | S | S | . | * | trans | -74.5 | 90.1 | 169.9 | -173.1 | -103 | 0 | 0 | 0 | 108.5 | T6 R10 | T6-D8 PolarHBondContact O-N 3.13Å; D8-R10 PolarHBondContact O-N 3.06Å; D8-R10 WeakPolarHBondContact OD1-CB 3.24Å; D8-R10 IonicContact OD2-CZ 3.46Å; D8-R10 IonicContact OD2-NH1 3.95Å; D8-R10 PolarHBondContact OD2-NH1 2.92Å | ||
| 9 | D | 46.9 | Very low | 46 | Very low | 136 Ų | 136 | 143.4 Ų | 143.4 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -74.8 | 36.2 | 175.9 | -112.4 | -77.3 | 0 | 0 | 0 | 112.6 | Y7 | Y7-D9 PolarHBondContact O-N 3.32Å; Y7-D9 VanDerWaalsContact O-N 3.13Å | ||
| 10 | R | 56.3 | Low | 45.6 | Very low | 202 Ų | 202 | 139.1 Ų | 139.1 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -91 | 8.1 | 178.7 | -70.2 | -161.9 | 179 | 105.9 | -7.8 | 114.8 | D8 | D8-R10 PolarHBondContact O-N 3.06Å; D8-R10 WeakPolarHBondContact OD1-CB 3.24Å; D8-R10 IonicContact OD2-CZ 3.46Å; D8-R10 IonicContact OD2-NH1 3.95Å; D8-R10 PolarHBondContact OD2-NH1 2.92Å | ||
| 11 | A | 51.7 | Low | 45.7 | Very low | 95 Ų | 95 | 138.2 Ų | 138.2 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -109.9 | 26.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 12 | Y | 47.6 | Very low | 45.7 | Very low | 160 Ų | 160 | 138.4 Ų | 138.4 | 63% | 0.627 | 77% | 0.773 | S | S | * | * | trans | -132.7 | 8.7 | 171.2 | -151.5 | -99.1 | 0 | 0 | 0 | 116 | S14 F15 | Y12-S14 PolarHBondContact O-N 3.31Å; Y12-F15 HydrophobicContact CD2-CE1 4.37Å; Y12-F15 HydrophobicContact CD2-CZ 4.09Å; Y12-F15 AromaticContact CE1-CE2 3.74Å; Y12-F15 HydrophobicContact CE1-CE2 3.74Å; Y12-F15 AromaticContact CE1-CZ 3.8Å; Y12-F15 HydrophobicContact CE1-CZ 3.8Å; Y12-F15 AromaticContact CE2-CE1 3.91Å; Y12-F15 HydrophobicContact CE2-CE1 3.91Å; Y12-F15 AromaticContact CE2-CE2 4Å; Y12-F15 HydrophobicContact CE2-CE2 4Å; Y12-F15 AromaticContact CE2-CZ 3.23Å; Y12-F15 HydrophobicContact CE2-CZ 3.23Å; Y12-F15 AromaticContact CZ-CE2 3.32Å; Y12-F15 AromaticContact CZ-CZ 3.08Å; Y12-F15 WeakPolarHBondContact OH-CE2 3.38Å; Y12-F15 WeakPolarHBondContact OH-CZ 3.5Å | ||
| 13 | S | 46.3 | Very low | 45.3 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | -86.5 | 53.1 | 173.3 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 14 | S | 54.6 | Low | 45.6 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -146.1 | 33.7 | 176.5 | -157.1 | 0 | 0 | 0 | 0 | 114.2 | Y12 | Y12-S14 PolarHBondContact O-N 3.31Š|
| 15 | F | 39.9 | Very low | 45.5 | Very low | 144 Ų | 144 | 129.8 Ų | 129.8 | 63% | 0.632 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -173.1 | 130.4 | 153.8 | 47 | -90.6 | 0 | 0 | 0 | 109.3 | Y12 | Y12-F15 HydrophobicContact CD2-CE1 4.37Å; Y12-F15 HydrophobicContact CD2-CZ 4.09Å; Y12-F15 AromaticContact CE1-CE2 3.74Å; Y12-F15 HydrophobicContact CE1-CE2 3.74Å; Y12-F15 AromaticContact CE1-CZ 3.8Å; Y12-F15 HydrophobicContact CE1-CZ 3.8Å; Y12-F15 AromaticContact CE2-CE1 3.91Å; Y12-F15 HydrophobicContact CE2-CE1 3.91Å; Y12-F15 AromaticContact CE2-CE2 4Å; Y12-F15 HydrophobicContact CE2-CE2 4Å; Y12-F15 AromaticContact CE2-CZ 3.23Å; Y12-F15 HydrophobicContact CE2-CZ 3.23Å; Y12-F15 AromaticContact CZ-CE2 3.32Å; Y12-F15 AromaticContact CZ-CZ 3.08Å; Y12-F15 WeakPolarHBondContact OH-CE2 3.38Å; Y12-F15 WeakPolarHBondContact OH-CZ 3.5Å |
| 16 | G | 38.9 | Very low | 45.4 | Very low | 76 Ų | 76 | 124.9 Ų | 124.9 | 78% | 0.784 | 75% | 0.745 | S | S | * | * | trans | 113.4 | 71.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | G18 | G16-G18 PolarHBondContact O-N 3.12Å; G16-G18 VanDerWaalsContact O-N 3.11Å | ||
| 17 | G | 40.9 | Very low | 44.8 | Very low | 77 Ų | 77 | 122 Ų | 122 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | trans | -46 | 120.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | R19 | G17-R19 PolarHBondContact O-N 2.83Š| ||
| 18 | G | 37.3 | Very low | 45 | Very low | 78 Ų | 78 | 121 Ų | 121 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -49 | 113.7 | 165.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | G16 G20 | G16-G18 PolarHBondContact O-N 3.12Å; G16-G18 VanDerWaalsContact O-N 3.11Å; G18-G20 PolarHBondContact O-N 3.47Å | ||
| 19 | R | 47.5 | Very low | 44.9 | Very low | 250 Ų | 250 | 119.2 Ų | 119.2 | 94% | 0.943 | 75% | 0.748 | S | S | * | * | trans | -62.8 | 80 | 154.4 | -75.9 | -173.5 | -177.5 | 177.6 | 1.7 | 104.8 | G17 S21 | G17-R19 PolarHBondContact O-N 2.83Å; R19-S21 PolarHBondContact O-N 3.34Å; R19-S21 VanDerWaalsContact O-N 3.12Å | ||
| 20 | G | 37.4 | Very low | 45.2 | Very low | 56 Ų | 56 | 118.3 Ų | 118.3 | 58% | 0.577 | 75% | 0.753 | S | S | * | * | trans | -46.1 | 124.3 | 155.4 | 0 | 0 | 0 | 0 | 0 | 104.8 | G18 R22 | G18-G20 PolarHBondContact O-N 3.47Å; G20-R22 VanDerWaalsContact C-N 3.31Å; G20-R22 PolarHBondContact O-N 3.1Å | ||
| 21 | S | 48.4 | Very low | 45 | Very low | 121 Ų | 121 | 113 Ų | 113 | 85% | 0.846 | 73% | 0.732 | S | S | * | * | trans | -37.2 | 108.8 | 161.7 | -68.3 | 0 | 0 | 0 | 0 | 105.6 | R19 G23 | R19-S21 PolarHBondContact O-N 3.34Å; R19-S21 VanDerWaalsContact O-N 3.12Å; S21-G23 PolarHBondContact O-N 2.99Å | ||
| 22 | R | 45.5 | Very low | 45.1 | Very low | 244 Ų | 244 | 113.2 Ų | 113.2 | 92% | 0.921 | 73% | 0.728 | S | S | * | * | trans | -63.6 | 87.5 | 164.6 | -71.3 | -178.9 | -174.6 | 165.1 | 0.6 | 102.3 | G20 S24 | G20-R22 VanDerWaalsContact C-N 3.31Å; G20-R22 PolarHBondContact O-N 3.1Å; R22-S24 PolarHBondContact O-N 3.14Å | ||
| 23 | G | 38.9 | Very low | 45.3 | Very low | 60 Ų | 60 | 114 Ų | 114 | 62% | 0.619 | 74% | 0.737 | S | S | * | * | trans | -42.5 | 119.6 | 157.3 | 0 | 0 | 0 | 0 | 0 | 103.2 | S21 A25 | S21-G23 PolarHBondContact O-N 2.99Å; G23-A25 PolarHBondContact O-N 2.68Å | ||
| 24 | S | 45.1 | Very low | 45.7 | Very low | 122 Ų | 122 | 114.2 Ų | 114.2 | 85% | 0.853 | 72% | 0.723 | S | S | * | * | trans | -60.9 | 78.6 | 163.8 | -167.2 | 0 | 0 | 0 | 0 | 104.9 | R22 G26 | R22-S24 PolarHBondContact O-N 3.14Å; S24-G26 PolarHBondContact O-N 3.24Å | ||
| 25 | A | 44.9 | Very low | 45.8 | Very low | 97 Ų | 97 | 118 Ų | 118 | 80% | 0.802 | 73% | 0.729 | S | S | * | * | trans | -68.9 | 66.8 | 153 | 0 | 0 | 0 | 0 | 0 | 104.1 | G23 G27 | G23-A25 PolarHBondContact O-N 2.68Å; A25-G27 PolarHBondContact O-N 3.33Å | ||
| 26 | G | 42.9 | Very low | 46.6 | Very low | 41 Ų | 41 | 113.9 Ų | 113.9 | 42% | 0.423 | 71% | 0.713 | S | S | . | * | trans | -57 | 100.7 | 154 | 0 | 0 | 0 | 0 | 0 | 103.3 | S24 H28 | S24-G26 PolarHBondContact O-N 3.24Å; G26-H28 PolarHBondContact O-CD2 3.06Å; G26-H28 PolarHBondContact O-N 3.12Å | ||
| 27 | G | 40.5 | Very low | 47.4 | Very low | 72 Ų | 72 | 111 Ų | 111 | 74% | 0.742 | 68% | 0.681 | S | S | * | * | trans | -51.7 | 102.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 105.1 | A25 G29 | A25-G27 PolarHBondContact O-N 3.33Å; G27-G29 PolarHBondContact O-N 3.28Å | ||
| 28 | H | 47.2 | Very low | 48.1 | Very low | 184 Ų | 184 | 113.6 Ų | 113.6 | 85% | 0.852 | 68% | 0.681 | S | S | * | * | trans | -62.2 | 78.1 | 151.6 | -67.2 | -88.7 | 0 | 0 | 0 | 103.7 | G26 S30 | G26-H28 PolarHBondContact O-CD2 3.06Å; G26-H28 PolarHBondContact O-N 3.12Å; H28-S30 PolarHBondContact O-N 3.35Å | ||
| 29 | G | 44.4 | Very low | 49 | Very low | 60 Ų | 60 | 115.5 Ų | 115.5 | 62% | 0.619 | 67% | 0.669 | S | S | * | * | trans | -50 | 118.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 103.6 | G27 R31 | G27-G29 PolarHBondContact O-N 3.28Å; G29-R31 WeakPolarHBondContact O-CA 3.42Å; G29-R31 PolarHBondContact O-N 2.98Å | ||
| 30 | S | 53.9 | Low | 49.7 | Very low | 117 Ų | 117 | 108.1 Ų | 108.1 | 82% | 0.818 | 65% | 0.654 | S | S | * | * | trans | -46.1 | 96.2 | -178.6 | -52.1 | 0 | 0 | 0 | 0 | 106.8 | H28 S32 | H28-S30 PolarHBondContact O-N 3.35Å; S30-S32 VanDerWaalsContact C-N 3.33Å; S30-S32 PolarHBondContact O-N 3.06Å | ||
| 31 | R | 51.8 | Low | 51 | Low | 89 Ų | 89 | 107.7 Ų | 107.7 | 34% | 0.336 | 64% | 0.641 | S | S | . | * | trans | -66.9 | 107.7 | -174.6 | -178.3 | 177.6 | -173.4 | 170.8 | -7.1 | 101.8 | G29 Q33 D102 V113 D114 | G29-R31 WeakPolarHBondContact O-CA 3.42Å; G29-R31 PolarHBondContact O-N 2.98Å; R31-Q33 VanDerWaalsContact C-N 3.29Å; R31-Q33 PolarHBondContact O-N 3.41Å; R31-D102 IonicContact CZ-OD1 3.99Å; R31-D102 IonicContact CZ-OD2 2.71Å; R31-D102 IonicContact NH1-OD1 3.31Å; R31-D102 PolarHBondContact NH1-OD1 3.15Å; R31-D102 IonicContact NH1-OD2 3.28Å; R31-D102 PolarHBondContact NH1-OD2 3.22Å; R31-D102 IonicContact NH2-OD2 3.04Å; R31-V113 VanDerWaalsContact CZ-O 3.27Å; R31-V113 PolarHBondContact NH1-O 2.83Å; R31-V113 PolarHBondContact NH2-O 2.74Å; R31-D114 IonicContact CZ-OD2 3.73Å; R31-D114 VanDerWaalsContact CZ-OD2 3.28Å; R31-D114 IonicContact NE-OD2 3.92Å; R31-D114 PolarHBondContact NE-OD2 2.81Å; R31-D114 VanDerWaalsContact NH2-CG 3.34Å; R31-D114 IonicContact NH2-OD2 2.76Å; R31-D114 PolarHBondContact NH2-OD2 3.13Å | ||
| 32 | S | 53.1 | Low | 52.4 | Low | 100 Ų | 100 | 103.3 Ų | 103.3 | 70% | 0.699 | 61% | 0.606 | S | S | * | * | trans | -49.9 | 105.1 | 177.8 | -52 | 0 | 0 | 0 | 0 | 105.6 | S30 K34 | S30-S32 VanDerWaalsContact C-N 3.33Å; S30-S32 PolarHBondContact O-N 3.06Å; S32-K34 PolarHBondContact O-N 3.17Å | ||
| 33 | Q | 52.2 | Low | 54.2 | Low | 176 Ų | 176 | 92.4 Ų | 92.4 | 82% | 0.822 | 57% | 0.566 | S | S | * | * | trans | -56.2 | 99.9 | 163.5 | -91.5 | -176.7 | -22 | 0 | 0 | 102.8 | R31 E35 | R31-Q33 VanDerWaalsContact C-N 3.29Å; R31-Q33 PolarHBondContact O-N 3.41Å; Q33-E35 PolarHBondContact O-N 3.36Å | ||
| 34 | K | 55.3 | Low | 56.4 | Low | 129 Ų | 129 | 89.6 Ų | 89.6 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | P | Polyproline II helix | trans | -60 | 130.5 | 170.7 | -78.2 | 177.4 | -179.8 | 168 | 0 | 105.1 | S32 L36 I115 | S32-K34 PolarHBondContact O-N 3.17Å; K34-L36 PolarHBondContact O-N 3.35Å; K34-I115 HydrophobicContact CB-CD1 4.32Å; K34-I115 WeakPolarHBondContact O-CD1 3.45Å |
| 35 | E | 55.5 | Low | 58.4 | Low | 186 Ų | 186 | 86.6 Ų | 86.6 | 87% | 0.869 | 51% | 0.508 | S | S | * | . | P | Polyproline II helix | trans | -59.9 | 139.8 | 179.3 | -60 | -171.2 | 108.1 | 0 | 0 | 108.5 | Q33 | Q33-E35 PolarHBondContact O-N 3.36Š|
| 36 | L | 56.1 | Low | 60.4 | Low | 56 Ų | 56 | 82 Ų | 82 | 29% | 0.293 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -57.4 | 124.4 | -174.5 | -60.1 | 155.1 | 0 | 0 | 0 | 108.2 | K34 T38 V92 L95 K96 L99 I115 | K34-L36 PolarHBondContact O-N 3.35Å; L36-T38 PolarHBondContact O-N 3.14Å; L36-V92 HydrophobicContact CB-CG2 4.04Å; L36-V92 HydrophobicContact CD1-CG2 4.09Å; L36-V92 HydrophobicContact CD2-CG2 4.33Å; L36-V92 HydrophobicContact CG-CG2 4.38Å; L36-L95 HydrophobicContact CD2-CD2 3.58Å; L36-L95 HydrophobicContact CD2-CG 4.2Å; L36-K96 HydrophobicContact CD1-CD 3.95Å; L36-K96 HydrophobicContact CD1-CG 3.67Å; L36-K96 HydrophobicContact CD2-CG 3.68Å; L36-K96 HydrophobicContact CG-CG 4.33Å; L36-L99 HydrophobicContact CD2-CD1 4.36Å; L36-I115 HydrophobicContact CD2-CD1 4.27Å |
| 37 | P | 56.2 | Low | 62.5 | Low | 15 Ų | 15 | 80 Ų | 80 | 10% | 0.097 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -61.5 | 124.1 | 177.8 | 22.7 | -31.1 | 0 | 0 | 0 | 109.1 | E39 Y42 L95 I115 | P37-E39 PolarHBondContact O-N 3.16Å; P37-Y42 HydrophobicContact CG-CD1 4.41Å; P37-Y42 WeakPolarHBondContact O-CE1 3.26Å; P37-L95 HydrophobicContact CG-CD2 4.46Å; P37-I115 HydrophobicContact CG-CG2 4.28Å |
| 38 | T | 56.8 | Low | 64.7 | Low | 132 Ų | 132 | 80.3 Ų | 80.3 | 81% | 0.81 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -73.4 | -7.3 | -175.4 | -45.6 | 0 | 0 | 0 | 0 | 113.3 | L36 | L36-T38 PolarHBondContact O-N 3.14Š|
| 39 | E | 55.4 | Low | 66.4 | Low | 119 Ų | 119 | 71.7 Ų | 71.7 | 56% | 0.556 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -118.8 | 135.1 | -177.5 | -59.9 | -177.5 | 131.3 | 0 | 0 | 111.3 | P37 K120 | P37-E39 PolarHBondContact O-N 3.16Å; E39-K120 WeakPolarHBondContact OE2-CE 3.47Å; E39-K120 IonicContact OE2-NZ 2.71Å; E39-K120 PolarHBondContact OE2-NZ 3.17Å |
| 40 | P | 61.8 | Low | 68.2 | Low | 94 Ų | 94 | 70.6 Ų | 70.6 | 61% | 0.61 | 38% | 0.376 | S | S | * | . | S | Bend | trans | -63.5 | 141.6 | 171.3 | 27.2 | -33.4 | 0 | 0 | 0 | 109.9 | Y42 | P40-Y42 HydrophobicContact CB-CE2 4.33Š|
| 41 | P | 66 | Low | 69.5 | Low | 47 Ų | 47 | 71.6 Ų | 71.6 | 31% | 0.305 | 37% | 0.366 | S | S | . | . | cis | -95.1 | 128.4 | 18.8 | 32.5 | -31.9 | 0 | 0 | 0 | 115.2 | T43 E88 | P41-T43 PolarHBondContact O-N 3.29Å; P41-T43 PolarHBondContact O-OG1 3.03Å; P41-E88 HydrophobicContact CB-CG 3.9Å | ||
| 42 | Y | 77.6 | Confident | 70.8 | Confident | 30 Ų | 30 | 74.4 Ų | 74.4 | 12% | 0.118 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 97.2 | 172.2 | -55.7 | -78.2 | 0 | 0 | 0 | 109.4 | P37 P40 F89 D90 V92 L95 | P37-Y42 HydrophobicContact CG-CD1 4.41Å; P37-Y42 WeakPolarHBondContact O-CE1 3.26Å; P40-Y42 HydrophobicContact CB-CE2 4.33Å; Y42-F89 PolarHBondContact O-N 3.44Å; Y42-D90 WeakPolarHBondContact CE2-O 3.34Å; Y42-V92 HydrophobicContact CD1-CB 4.22Å; Y42-V92 HydrophobicContact CD1-CG2 4.35Å; Y42-V92 HydrophobicContact CE1-CB 3.64Å; Y42-V92 HydrophobicContact CE1-CG2 3.85Å; Y42-V92 HydrophobicContact CE2-CB 4.43Å; Y42-L95 HydrophobicContact CD1-CD2 4.2Å |
| 43 | T | 83 | Confident | 72.1 | Confident | 15 Ų | 15 | 70.1 Ų | 70.1 | 9% | 0.092 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 133 | 179.3 | -43.8 | 0 | 0 | 0 | 0 | 110 | P41 Y86 V87 A116 | P41-T43 PolarHBondContact O-N 3.29Å; P41-T43 PolarHBondContact O-OG1 3.03Å; T43-Y86 HydrophobicContact CG2-CD1 4.32Å; T43-V87 CarbonylContact C-O 3.49Å; T43-V87 WeakPolarHBondContact CA-O 3.27Å; T43-A116 CarbonylContact C-O 3.51Å; T43-A116 VanDerWaalsContact CB-O 3.27Å; T43-A116 WeakPolarHBondContact CB-O 3.41Å; T43-A116 HydrophobicContact CG2-CB 4.03Å; T43-A116 CarbonylContact O-C 3.58Å; T43-A116 WeakPolarHBondContact O-CA 3.41Å; T43-A116 PolarHBondContact O-N 2.73Å |
| 44 | A | 84.9 | Confident | 73.5 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.008 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 141.8 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y86 V87 F89 L95 V113 D114 | A44-Y86 CarbonylContact O-C 3.45Å; A44-Y86 WeakPolarHBondContact O-CA 3.49Å; A44-V87 PolarHBondContact N-O 2.92Å; A44-V87 PolarHBondContact O-N 2.9Å; A44-F89 HydrophobicContact CB-CD2 4.36Å; A44-F89 HydrophobicContact CB-CE2 3.62Å; A44-L95 HydrophobicContact CB-CD1 4.12Å; A44-V113 HydrophobicContact CB-CG1 4.29Å; A44-D114 CarbonylContact C-O 3.51Å; A44-D114 WeakPolarHBondContact CA-O 3.43Å |
| 45 | Y | 87.5 | Confident | 74.8 | Confident | 58 Ų | 58 | 64.7 Ų | 64.7 | 23% | 0.227 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 125.9 | 164.2 | 169.6 | -96.5 | 0 | 0 | 0 | 108.6 | F84 Y86 V113 D114 | Y45-F84 HydrophobicContact CE2-CB 3.59Å; Y45-F84 AromaticContact CE2-CD2 3.83Å; Y45-F84 HydrophobicContact CE2-CD2 3.83Å; Y45-F84 AromaticContact CE2-CG 3.87Å; Y45-F84 HydrophobicContact CE2-CG 3.87Å; Y45-Y86 HydrophobicContact CD2-CD1 4.27Å; Y45-Y86 AromaticContact CD2-CE1 3.71Å; Y45-Y86 HydrophobicContact CD2-CE1 3.71Å; Y45-Y86 AromaticContact CD2-CZ 3.98Å; Y45-Y86 HydrophobicContact CG-CE1 4.47Å; Y45-V113 CarbonylContact O-C 3.56Å; Y45-V113 VanDerWaalsContact O-CA 3.31Å; Y45-V113 WeakPolarHBondContact O-CA 3.3Å; Y45-D114 HydrophobicContact CD1-CB 4.08Å; Y45-D114 PolarHBondContact N-O 2.83Å; Y45-D114 PolarHBondContact O-N 2.79Å |
| 46 | V | 86.8 | Confident | 76.1 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 118.1 | 172.8 | -173.5 | 0 | 0 | 0 | 0 | 107.9 | L49 F62 F84 C85 V87 R112 V113 | V46-L49 HydrophobicContact CB-CD1 4.42Å; V46-L49 HydrophobicContact CG1-CD1 4.01Å; V46-L49 HydrophobicContact CG1-CD2 4.19Å; V46-L49 HydrophobicContact CG1-CG 4.18Å; V46-F62 HydrophobicContact CG1-CE2 4.37Å; V46-F62 HydrophobicContact CG1-CZ 4.23Å; V46-F62 HydrophobicContact CG2-CE2 3.89Å; V46-F62 HydrophobicContact CG2-CZ 3.69Å; V46-F84 CarbonylContact O-C 3.51Å; V46-F84 WeakPolarHBondContact O-CA 3.31Å; V46-F84 WeakPolarHBondContact O-CB 3.11Å; V46-C85 PolarHBondContact N-O 3.28Å; V46-C85 PolarHBondContact O-N 2.96Å; V46-V87 HydrophobicContact CG2-CG2 4.24Å; V46-R112 CarbonylContact C-O 3.59Å; V46-R112 WeakPolarHBondContact CA-O 3.18Å; V46-V113 HydrophobicContact CG1-CG2 4.35Å; V46-V113 HydrophobicContact CG2-CG1 4.35Å; V46-V113 HydrophobicContact CG2-CG2 4.4Å |
| 47 | G | 86.7 | Confident | 77.3 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 173.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L49 R112 | G47-L49 PolarHBondContact O-N 3.03Å; G47-R112 PolarHBondContact N-O 3.3Å; G47-R112 PolarHBondContact O-N 3.39Å |
| 48 | N | 86.1 | Confident | 78.6 | Confident | 78 Ų | 78 | 58.1 Ų | 58.1 | 42% | 0.417 | 32% | 0.321 | S | S | . | . | S | Bend | trans | 62.5 | 29.6 | -175 | -158 | 46.3 | 0 | 0 | 0 | 114 | G83 S110 | N48-G83 PolarHBondContact N-O 3.43Å; N48-S110 VanDerWaalsContact CB-O 3.3Å; N48-S110 WeakPolarHBondContact CB-O 3.49Å; N48-S110 PolarHBondContact ND2-O 2.85Å |
| 49 | L | 83.9 | Confident | 79.8 | Confident | 3 Ų | 3 | 56 Ų | 56 | 2% | 0.016 | 30% | 0.304 | C | S | . | . | trans | -76.5 | 147 | 176.1 | -69.2 | 166 | 0 | 0 | 0 | 111 | V46 G47 T53 I58 F81 G83 C85 L111 | V46-L49 HydrophobicContact CB-CD1 4.42Å; V46-L49 HydrophobicContact CG1-CD1 4.01Å; V46-L49 HydrophobicContact CG1-CD2 4.19Å; V46-L49 HydrophobicContact CG1-CG 4.18Å; G47-L49 PolarHBondContact O-N 3.03Å; L49-T53 HydrophobicContact CB-CG2 4.46Å; L49-T53 HydrophobicContact CD1-CG2 4.34Å; L49-T53 HydrophobicContact CD2-CG2 4.3Å; L49-I58 HydrophobicContact CD1-CD1 4.47Å; L49-F81 HydrophobicContact CB-CE1 3.9Å; L49-F81 HydrophobicContact CD1-CE1 4.34Å; L49-F81 HydrophobicContact CD1-CZ 4.31Å; L49-G83 PolarHBondContact N-O 3.2Å; L49-G83 WeakPolarHBondContact O-CA 3.38Å; L49-C85 HydrophobicContact CD1-CB 4.38Å; L49-C85 VanDerWaalsContact CD1-SG 3.53Å; L49-L111 HydrophobicContact CD2-CD2 3.47Å; L49-L111 VanDerWaalsContact CD2-CD2 3.47Å; L49-L111 HydrophobicContact CG-CD2 4.43Å | ||
| 50 | P | 81.5 | Confident | 81.1 | Confident | 37 Ų | 37 | 53.1 Ų | 53.1 | 24% | 0.24 | 30% | 0.301 | C | S | . | . | trans | -61.6 | 152.1 | 172.3 | 18.4 | -22.7 | 0 | 0 | 0 | 112 | N52 T53 L106 | P50-N52 PolarHBondContact O-N 3.22Å; P50-N52 VanDerWaalsContact O-N 3.15Å; P50-T53 WeakPolarHBondContact CD-OG1 3.39Å; P50-T53 WeakPolarHBondContact CG-OG1 3.49Å; P50-T53 VanDerWaalsContact O-CB 3.31Å; P50-T53 WeakPolarHBondContact O-CB 3.32Å; P50-T53 PolarHBondContact O-N 2.75Å; P50-T53 PolarHBondContact O-OG1 2.69Å; P50-T53 VanDerWaalsContact O-OG1 3.09Å; P50-L106 HydrophobicContact CG-CD2 3.78Å | ||
| 51 | F | 81.1 | Confident | 81.9 | Confident | 138 Ų | 138 | 51.1 Ų | 51.1 | 61% | 0.605 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -16.7 | -179 | -58 | -62.5 | 0 | 0 | 0 | 113.6 | F81 | F51-F81 WeakPolarHBondContact CD1-O 3.13Š|
| 52 | N | 79.6 | Confident | 82.5 | Confident | 147 Ų | 147 | 49 Ų | 49 | 79% | 0.786 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | 1.4 | 176.6 | -162 | 54.6 | 0 | 0 | 0 | 113.1 | P50 V54 | P50-N52 PolarHBondContact O-N 3.22Å; P50-N52 VanDerWaalsContact O-N 3.15Å; N52-V54 PolarHBondContact O-N 2.68Å |
| 53 | T | 79.9 | Confident | 82.4 | Confident | 11 Ų | 11 | 54.9 Ų | 54.9 | 7% | 0.067 | 30% | 0.297 | C | S | . | . | trans | -67.4 | 121.8 | 178 | -64.4 | 0 | 0 | 0 | 0 | 110.2 | L49 P50 D57 I58 | L49-T53 HydrophobicContact CB-CG2 4.46Å; L49-T53 HydrophobicContact CD1-CG2 4.34Å; L49-T53 HydrophobicContact CD2-CG2 4.3Å; P50-T53 WeakPolarHBondContact CD-OG1 3.39Å; P50-T53 WeakPolarHBondContact CG-OG1 3.49Å; P50-T53 VanDerWaalsContact O-CB 3.31Å; P50-T53 WeakPolarHBondContact O-CB 3.32Å; P50-T53 PolarHBondContact O-N 2.75Å; P50-T53 PolarHBondContact O-OG1 2.69Å; P50-T53 VanDerWaalsContact O-OG1 3.09Å; T53-D57 HydrophobicContact CG2-CB 4.09Å; T53-I58 HydrophobicContact CG2-CD1 4.02Å; T53-I58 HydrophobicContact CG2-CG1 3.75Å | ||
| 54 | V | 81.9 | Confident | 82.1 | Confident | 88 Ų | 88 | 60.2 Ų | 60.2 | 53% | 0.533 | 33% | 0.325 | S | S | . | . | trans | -101.2 | 171.5 | 171 | -65 | 0 | 0 | 0 | 0 | 111 | N52 G56 D57 I58 | N52-V54 PolarHBondContact O-N 2.68Å; V54-G56 PolarHBondContact O-N 2.75Å; V54-D57 WeakPolarHBondContact CG2-OD2 3.35Å; V54-D57 PolarHBondContact N-OD2 3.38Å; V54-D57 PolarHBondContact O-N 2.92Å; V54-D57 VanDerWaalsContact O-N 3.13Å; V54-I58 PolarHBondContact O-N 3.45Å | ||
| 55 | Q | 82.3 | Confident | 81.8 | Confident | 103 Ų | 103 | 60.9 Ų | 60.9 | 48% | 0.481 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -54.9 | -36.6 | 176 | -164.9 | 166.3 | -5.5 | 0 | 0 | 112.2 | D57 I58 D59 I70 L72 | Q55-D57 VanDerWaalsContact C-N 3.35Å; Q55-D57 PolarHBondContact O-N 2.86Å; Q55-I58 PolarHBondContact O-N 2.76Å; Q55-D59 WeakPolarHBondContact O-CB 3.18Å; Q55-D59 PolarHBondContact O-N 3.3Å; Q55-I70 HydrophobicContact CG-CB 4.11Å; Q55-I70 HydrophobicContact CG-CD1 3.8Å; Q55-I70 HydrophobicContact CG-CG2 4.14Å; Q55-L72 HydrophobicContact CB-CD1 3.75Å; Q55-L72 HydrophobicContact CG-CD1 4.26Å |
| 56 | G | 82.6 | Confident | 81.4 | Confident | 45 Ų | 45 | 61.3 Ų | 61.3 | 46% | 0.464 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -65.7 | -31.5 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | V54 A60 | V54-G56 PolarHBondContact O-N 2.75Å; G56-A60 WeakPolarHBondContact O-CB 3.47Å; G56-A60 PolarHBondContact O-N 3.22Å |
| 57 | D | 82.8 | Confident | 81.2 | Confident | 72 Ų | 72 | 63.3 Ų | 63.3 | 39% | 0.385 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -70.3 | -40.9 | 175.3 | -63.4 | -70 | 0 | 0 | 0 | 110.9 | T53 V54 Q55 D59 A60 I61 | T53-D57 HydrophobicContact CG2-CB 4.09Å; V54-D57 WeakPolarHBondContact CG2-OD2 3.35Å; V54-D57 PolarHBondContact N-OD2 3.38Å; V54-D57 PolarHBondContact O-N 2.92Å; V54-D57 VanDerWaalsContact O-N 3.13Å; Q55-D57 VanDerWaalsContact C-N 3.35Å; Q55-D57 PolarHBondContact O-N 2.86Å; D57-D59 VanDerWaalsContact C-N 3.33Å; D57-A60 PolarHBondContact O-N 3.31Å; D57-I61 WeakPolarHBondContact O-CD1 3.03Å; D57-I61 WeakPolarHBondContact O-CG1 3.27Å; D57-I61 PolarHBondContact O-N 3.46Å |
| 58 | I | 81.9 | Confident | 81.1 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64 | -44.3 | 176.5 | -63.5 | 160.7 | 0 | 0 | 0 | 109.3 | L49 T53 V54 Q55 A60 I61 F62 I70 L72 C85 V87 | L49-I58 HydrophobicContact CD1-CD1 4.47Å; T53-I58 HydrophobicContact CG2-CD1 4.02Å; T53-I58 HydrophobicContact CG2-CG1 3.75Å; V54-I58 PolarHBondContact O-N 3.45Å; Q55-I58 PolarHBondContact O-N 2.76Å; I58-A60 VanDerWaalsContact C-N 3.33Å; I58-A60 PolarHBondContact O-N 3.04Å; I58-I61 PolarHBondContact O-N 2.9Å; I58-F62 HydrophobicContact CG2-CD2 3.6Å; I58-F62 HydrophobicContact CG2-CE2 3.93Å; I58-F62 WeakPolarHBondContact O-CB 3.14Å; I58-F62 WeakPolarHBondContact O-CD2 3.35Å; I58-F62 PolarHBondContact O-N 3.17Å; I58-I70 HydrophobicContact CD1-CG2 4.22Å; I58-I70 HydrophobicContact CG2-CD1 4.22Å; I58-I70 HydrophobicContact CG2-CG2 4.19Å; I58-L72 HydrophobicContact CD1-CD2 3.46Å; I58-L72 VanDerWaalsContact CD1-CD2 3.46Å; I58-L72 HydrophobicContact CD1-CG 4.25Å; I58-C85 HydrophobicContact CD1-CB 3.89Å; I58-C85 VanDerWaalsContact CD1-SG 3.56Å; I58-V87 HydrophobicContact CG2-CG2 3.9Å |
| 59 | D | 83.1 | Confident | 80.9 | Confident | 88 Ų | 88 | 70 Ų | 70 | 47% | 0.471 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 174.7 | -166.7 | -101.7 | 0 | 0 | 0 | 111.5 | Q55 D57 I61 F62 K63 | Q55-D59 WeakPolarHBondContact O-CB 3.18Å; Q55-D59 PolarHBondContact O-N 3.3Å; D57-D59 VanDerWaalsContact C-N 3.33Å; D59-I61 PolarHBondContact O-N 2.8Å; D59-F62 CarbonylContact O-C 3.39Å; D59-F62 PolarHBondContact O-N 2.91Å; D59-K63 WeakPolarHBondContact O-CA 3.19Å; D59-K63 VanDerWaalsContact O-CB 3.3Å; D59-K63 WeakPolarHBondContact O-CB 3.46Å; D59-K63 PolarHBondContact O-N 3.2Å |
| 60 | A | 82.7 | Confident | 81 | Confident | 59 Ų | 59 | 70.9 Ų | 70.9 | 49% | 0.488 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66 | -36.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G56 D57 I58 K63 | G56-A60 WeakPolarHBondContact O-CB 3.47Å; G56-A60 PolarHBondContact O-N 3.22Å; D57-A60 PolarHBondContact O-N 3.31Å; I58-A60 VanDerWaalsContact C-N 3.33Å; I58-A60 PolarHBondContact O-N 3.04Å; A60-K63 WeakPolarHBondContact O-CG 3.4Å |
| 61 | I | 78.3 | Confident | 81.3 | Confident | 52 Ų | 52 | 77.5 Ų | 77.5 | 27% | 0.267 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -70.8 | -41.8 | 177 | -66.5 | 159.9 | 0 | 0 | 0 | 110.5 | D57 I58 D59 L106 | D57-I61 WeakPolarHBondContact O-CD1 3.03Å; D57-I61 WeakPolarHBondContact O-CG1 3.27Å; D57-I61 PolarHBondContact O-N 3.46Å; I58-I61 PolarHBondContact O-N 2.9Å; D59-I61 PolarHBondContact O-N 2.8Å; I61-L106 HydrophobicContact CD1-CD1 3.62Å; I61-L106 HydrophobicContact CG1-CD1 4.31Å |
| 62 | F | 77.6 | Confident | 81.5 | Confident | 2 Ų | 2 | 73.2 Ų | 73.2 | 1% | 0.009 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -102.7 | 21.9 | -176 | -60.6 | -66.3 | 0 | 0 | 0 | 112.8 | V46 I58 D59 D64 L65 I67 A98 | V46-F62 HydrophobicContact CG1-CE2 4.37Å; V46-F62 HydrophobicContact CG1-CZ 4.23Å; V46-F62 HydrophobicContact CG2-CE2 3.89Å; V46-F62 HydrophobicContact CG2-CZ 3.69Å; I58-F62 HydrophobicContact CG2-CD2 3.6Å; I58-F62 HydrophobicContact CG2-CE2 3.93Å; I58-F62 WeakPolarHBondContact O-CB 3.14Å; I58-F62 WeakPolarHBondContact O-CD2 3.35Å; I58-F62 PolarHBondContact O-N 3.17Å; D59-F62 CarbonylContact O-C 3.39Å; D59-F62 PolarHBondContact O-N 2.91Å; F62-D64 PolarHBondContact O-N 2.77Å; F62-L65 HydrophobicContact CB-CD1 4.21Å; F62-L65 HydrophobicContact CB-CG 4.47Å; F62-L65 HydrophobicContact CD1-CD1 3.56Å; F62-L65 HydrophobicContact CE1-CD1 4.41Å; F62-L65 HydrophobicContact CG-CD1 4.31Å; F62-L65 WeakPolarHBondContact O-CA 3.16Å; F62-L65 WeakPolarHBondContact O-CB 3.4Å; F62-L65 PolarHBondContact O-N 2.78Å; F62-I67 HydrophobicContact CB-CD1 3.69Å; F62-I67 HydrophobicContact CB-CG1 4.29Å; F62-A98 HydrophobicContact CE1-CB 4.29Å |
| 63 | K | 77.3 | Confident | 81.8 | Confident | 154 Ų | 154 | 67.8 Ų | 67.8 | 67% | 0.67 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -26.5 | -176.8 | 67.4 | 178.8 | -178.4 | 173.3 | 0 | 113.8 | D59 A60 | D59-K63 WeakPolarHBondContact O-CA 3.19Å; D59-K63 VanDerWaalsContact O-CB 3.3Å; D59-K63 WeakPolarHBondContact O-CB 3.46Å; D59-K63 PolarHBondContact O-N 3.2Å; A60-K63 WeakPolarHBondContact O-CG 3.4Å |
| 64 | D | 76.1 | Confident | 82.2 | Confident | 127 Ų | 127 | 74 Ų | 74 | 68% | 0.679 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -12.4 | 177.5 | -112.1 | -100.9 | 0 | 0 | 0 | 111.5 | F62 | F62-D64 PolarHBondContact O-N 2.77Š|
| 65 | L | 79 | Confident | 82.3 | Confident | 14 Ų | 14 | 72.2 Ų | 72.2 | 7% | 0.073 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -106.5 | 148.7 | -174.2 | -48.6 | -175.3 | 0 | 0 | 0 | 111.2 | F62 I67 F89 E97 A98 | F62-L65 HydrophobicContact CB-CD1 4.21Å; F62-L65 HydrophobicContact CB-CG 4.47Å; F62-L65 HydrophobicContact CD1-CD1 3.56Å; F62-L65 HydrophobicContact CE1-CD1 4.41Å; F62-L65 HydrophobicContact CG-CD1 4.31Å; F62-L65 WeakPolarHBondContact O-CA 3.16Å; F62-L65 WeakPolarHBondContact O-CB 3.4Å; F62-L65 PolarHBondContact O-N 2.78Å; L65-I67 PolarHBondContact O-N 3.19Å; L65-F89 HydrophobicContact CB-CD1 4.17Å; L65-F89 HydrophobicContact CB-CE1 3.76Å; L65-F89 HydrophobicContact CD1-CE1 3.85Å; L65-F89 HydrophobicContact CD1-CZ 4.09Å; L65-F89 HydrophobicContact CG-CE1 4.49Å; L65-E97 HydrophobicContact CD1-CB 4.49Å; L65-E97 HydrophobicContact CD2-CB 3.48Å; L65-E97 VanDerWaalsContact CD2-CB 3.48Å; L65-E97 HydrophobicContact CD2-CG 4.06Å; L65-A98 HydrophobicContact CD1-CB 3.97Å |
| 66 | S | 78.3 | Confident | 82.2 | Confident | 68 Ų | 68 | 76.8 Ų | 76.8 | 48% | 0.476 | 39% | 0.386 | S | S | . | . | trans | -81.7 | 85.9 | 179.4 | -69.1 | 0 | 0 | 0 | 0 | 111.4 | F89 D90 S94 | S66-F89 WeakPolarHBondContact O-CA 3.38Å; S66-D90 PolarHBondContact O-N 2.78Å; S66-S94 PolarHBondContact N-OG 2.77Å | ||
| 67 | I | 81.7 | Confident | 82.1 | Confident | 43 Ų | 43 | 81.9 Ų | 81.9 | 22% | 0.221 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 126.8 | 178.5 | -53.2 | 167.5 | 0 | 0 | 0 | 110.7 | F62 L65 I70 V87 F89 | F62-I67 HydrophobicContact CB-CD1 3.69Å; F62-I67 HydrophobicContact CB-CG1 4.29Å; L65-I67 PolarHBondContact O-N 3.19Å; I67-I70 HydrophobicContact CD1-CD1 4.23Å; I67-I70 HydrophobicContact CG2-CD1 4.1Å; I67-I70 HydrophobicContact CG2-CG1 3.56Å; I67-V87 HydrophobicContact CB-CG1 4.42Å; I67-V87 HydrophobicContact CD1-CG1 4.47Å; I67-V87 HydrophobicContact CG1-CG1 4.05Å; I67-V87 HydrophobicContact CG2-CG1 3.66Å; I67-F89 HydrophobicContact CG1-CD1 4.17Å; I67-F89 HydrophobicContact CG1-CE1 3.8Å |
| 68 | R | 84.6 | Confident | 82 | Confident | 160 Ų | 160 | 82.2 Ų | 82.2 | 60% | 0.604 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | -43.3 | 172.5 | -177.2 | 171 | 179.1 | -148.2 | 14.8 | 112.6 | E88 | R68-E88 HydrophobicContact CB-CG 4.34Å; R68-E88 VanDerWaalsContact CD-OE1 3.26Å; R68-E88 WeakPolarHBondContact CD-OE1 3.49Å; R68-E88 IonicContact CZ-OE1 3.47Å; R68-E88 PolarHBondContact N-O 3.25Å; R68-E88 IonicContact NE-OE1 3.62Å; R68-E88 IonicContact NH1-OE1 2.88Å; R68-E88 PolarHBondContact NH1-OE1 3.46Å |
| 69 | S | 82.9 | Confident | 81.9 | Confident | 59 Ų | 59 | 87 Ų | 87 | 41% | 0.413 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 140 | -176.6 | -172.3 | 0 | 0 | 0 | 0 | 111.6 | E88 | S69-E88 PolarHBondContact N-O 3.5Å; S69-E88 PolarHBondContact O-N 3.3Å |
| 70 | I | 86.6 | Confident | 81.8 | Confident | 20 Ų | 20 | 89.6 Ų | 89.6 | 10% | 0.103 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 124.8 | 176.6 | -53.2 | 170.6 | 0 | 0 | 0 | 108.7 | Q55 I58 I67 L72 V87 | Q55-I70 HydrophobicContact CG-CB 4.11Å; Q55-I70 HydrophobicContact CG-CD1 3.8Å; Q55-I70 HydrophobicContact CG-CG2 4.14Å; I58-I70 HydrophobicContact CD1-CG2 4.22Å; I58-I70 HydrophobicContact CG2-CD1 4.22Å; I58-I70 HydrophobicContact CG2-CG2 4.19Å; I67-I70 HydrophobicContact CD1-CD1 4.23Å; I67-I70 HydrophobicContact CG2-CD1 4.1Å; I67-I70 HydrophobicContact CG2-CG1 3.56Å; I70-L72 HydrophobicContact CG2-CG 4.48Å; I70-V87 HydrophobicContact CG1-CG1 4.46Å |
| 71 | R | 86.7 | Confident | 81.9 | Confident | 177 Ų | 177 | 87.7 Ų | 87.7 | 67% | 0.668 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 102.4 | 177.1 | -178.1 | 179.6 | 179.4 | 173.4 | 1.6 | 110.7 | C85 Y86 | R71-C85 WeakPolarHBondContact O-CA 3.32Å; R71-Y86 PolarHBondContact N-O 3.49Å; R71-Y86 PolarHBondContact O-N 3.13Å |
| 72 | L | 86.6 | Confident | 82.1 | Confident | 47 Ų | 47 | 91 Ų | 91 | 25% | 0.246 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 128.2 | 172.4 | -69.1 | 143.5 | 0 | 0 | 0 | 110.1 | Q55 I58 I70 F81 C85 | Q55-L72 HydrophobicContact CB-CD1 3.75Å; Q55-L72 HydrophobicContact CG-CD1 4.26Å; I58-L72 HydrophobicContact CD1-CD2 3.46Å; I58-L72 VanDerWaalsContact CD1-CD2 3.46Å; I58-L72 HydrophobicContact CD1-CG 4.25Å; I70-L72 HydrophobicContact CG2-CG 4.48Å; L72-F81 HydrophobicContact CB-CE2 3.86Å; L72-F81 HydrophobicContact CD2-CD2 4.13Å; L72-F81 HydrophobicContact CD2-CE2 3.26Å; L72-F81 HydrophobicContact CD2-CZ 3.56Å; L72-F81 HydrophobicContact CG-CE2 4.18Å; L72-C85 HydrophobicContact CD2-CB 4.2Å; L72-C85 HydrophobicContact CG-CB 4.49Å |
| 73 | V | 85.6 | Confident | 82.4 | Confident | 33 Ų | 33 | 91.2 Ų | 91.2 | 20% | 0.2 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 113.8 | 173.7 | -179.3 | 0 | 0 | 0 | 0 | 109.6 | K82 F84 Y86 | V73-K82 HydrophobicContact CG1-CB 4.47Å; V73-K82 HydrophobicContact CG1-CD 4.29Å; V73-K82 VanDerWaalsContact O-CB 3.29Å; V73-K82 WeakPolarHBondContact O-CB 3.41Å; V73-K82 PolarHBondContact O-N 3.3Å; V73-F84 HydrophobicContact CB-CD2 3.79Å; V73-F84 HydrophobicContact CB-CE2 3.33Å; V73-F84 HydrophobicContact CB-CZ 3.87Å; V73-F84 HydrophobicContact CG1-CD2 4.47Å; V73-F84 HydrophobicContact CG1-CE2 3.57Å; V73-F84 HydrophobicContact CG1-CZ 3.62Å; V73-F84 HydrophobicContact CG2-CD2 3.95Å; V73-F84 HydrophobicContact CG2-CE2 3.49Å; V73-F84 VanDerWaalsContact CG2-CE2 3.49Å; V73-F84 HydrophobicContact CG2-CZ 4.4Å; V73-F84 PolarHBondContact N-O 3.06Å; V73-Y86 HydrophobicContact CG2-CD2 3.95Å; V73-Y86 HydrophobicContact CG2-CE2 3.75Å |
| 74 | R | 86.7 | Confident | 82.9 | Confident | 143 Ų | 143 | 85.3 Ų | 85.3 | 54% | 0.54 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 148 | 171.1 | -68.2 | -175 | -79.1 | 165.5 | -7.7 | 110 | D79 F81 | R74-D79 IonicContact CZ-OD1 2.72Å; R74-D79 IonicContact NH1-OD1 3.72Å; R74-D79 PolarHBondContact NH1-OD1 2.82Å; R74-D79 IonicContact NH1-OD2 3.92Å; R74-D79 PolarHBondContact NH1-OD2 3.3Å; R74-F81 HydrophobicContact CG-CD2 4.08Å |
| 75 | D | 85.5 | Confident | 83.4 | Confident | 50 Ų | 50 | 79.3 Ų | 79.3 | 27% | 0.267 | 38% | 0.378 | S | S | . | . | trans | -68.2 | 134.6 | 172.7 | -172.7 | -105.8 | 0 | 0 | 0 | 109.9 | D77 T78 D79 K80 | D75-D77 VanDerWaalsContact C-N 3.35Å; D75-D77 PolarHBondContact OD1-N 3.24Å; D75-T78 WeakPolarHBondContact CB-OG1 3.33Å; D75-T78 PolarHBondContact OD1-N 3.24Å; D75-T78 PolarHBondContact OD1-OG1 3.21Å; D75-D79 WeakPolarHBondContact O-CA 3.41Å; D75-D79 PolarHBondContact O-N 2.69Å; D75-K80 PolarHBondContact N-O 3.11Å | ||
| 76 | K | 79.9 | Confident | 83.9 | Confident | 199 Ų | 199 | 82.5 Ų | 82.5 | 87% | 0.865 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -25.2 | -173.4 | -72.7 | -176.4 | 171 | -168.3 | 0 | 113.2 | ||
| 77 | D | 80.7 | Confident | 84.3 | Confident | 151 Ų | 151 | 79.2 Ų | 79.2 | 81% | 0.807 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.1 | -37.2 | -174.2 | -61.2 | -92.4 | 0 | 0 | 0 | 111.1 | D75 | D75-D77 VanDerWaalsContact C-N 3.35Å; D75-D77 PolarHBondContact OD1-N 3.24Å |
| 78 | T | 81 | Confident | 84.5 | Confident | 80 Ų | 80 | 79.3 Ų | 79.3 | 49% | 0.491 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -8 | -178.3 | 56.2 | 0 | 0 | 0 | 0 | 114.7 | D75 K80 | D75-T78 WeakPolarHBondContact CB-OG1 3.33Å; D75-T78 PolarHBondContact OD1-N 3.24Å; D75-T78 PolarHBondContact OD1-OG1 3.21Å; T78-K80 PolarHBondContact O-N 2.99Å |
| 79 | D | 79.6 | Confident | 84.5 | Confident | 101 Ų | 101 | 71.8 Ų | 71.8 | 54% | 0.54 | 34% | 0.339 | S | S | . | . | trans | 48.3 | 15 | -166.4 | -155.3 | -107.1 | 0 | 0 | 0 | 113.9 | R74 D75 | R74-D79 IonicContact CZ-OD1 2.72Å; R74-D79 IonicContact NH1-OD1 3.72Å; R74-D79 PolarHBondContact NH1-OD1 2.82Å; R74-D79 IonicContact NH1-OD2 3.92Å; R74-D79 PolarHBondContact NH1-OD2 3.3Å; D75-D79 WeakPolarHBondContact O-CA 3.41Å; D75-D79 PolarHBondContact O-N 2.69Å | ||
| 80 | K | 80.9 | Confident | 84.4 | Confident | 143 Ų | 143 | 74.5 Ų | 74.5 | 62% | 0.622 | 35% | 0.348 | S | S | * | . | trans | -78.1 | 143.1 | 178.6 | -70.2 | 176.8 | -176.4 | -178.2 | 0 | 109 | D75 T78 K82 | D75-K80 PolarHBondContact N-O 3.11Å; T78-K80 PolarHBondContact O-N 2.99Å; K80-K82 PolarHBondContact O-N 3.1Å | ||
| 81 | F | 83.7 | Confident | 84.1 | Confident | 19 Ų | 19 | 77.6 Ų | 77.6 | 8% | 0.083 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 132.9 | 173.9 | -170.9 | -120.8 | 0 | 0 | 0 | 110 | L49 F51 L72 R74 G83 F84 | L49-F81 HydrophobicContact CB-CE1 3.9Å; L49-F81 HydrophobicContact CD1-CE1 4.34Å; L49-F81 HydrophobicContact CD1-CZ 4.31Å; F51-F81 WeakPolarHBondContact CD1-O 3.13Å; L72-F81 HydrophobicContact CB-CE2 3.86Å; L72-F81 HydrophobicContact CD2-CD2 4.13Å; L72-F81 HydrophobicContact CD2-CE2 3.26Å; L72-F81 HydrophobicContact CD2-CZ 3.56Å; L72-F81 HydrophobicContact CG-CE2 4.18Å; R74-F81 HydrophobicContact CG-CD2 4.08Å; F81-G83 PolarHBondContact O-N 2.92Å; F81-F84 WeakPolarHBondContact CE2-O 3.43Å; F81-F84 WeakPolarHBondContact CZ-O 3.18Å |
| 82 | K | 82.8 | Confident | 83.8 | Confident | 120 Ų | 120 | 71.4 Ų | 71.4 | 52% | 0.522 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | -3.3 | -176.3 | -153.7 | 167.2 | 165.4 | 173.4 | 0 | 112.7 | V73 K80 F84 | V73-K82 HydrophobicContact CG1-CB 4.47Å; V73-K82 HydrophobicContact CG1-CD 4.29Å; V73-K82 VanDerWaalsContact O-CB 3.29Å; V73-K82 WeakPolarHBondContact O-CB 3.41Å; V73-K82 PolarHBondContact O-N 3.3Å; K80-K82 PolarHBondContact O-N 3.1Å; K82-F84 HydrophobicContact CB-CD1 3.9Å; K82-F84 HydrophobicContact CB-CE1 3.59Å; K82-F84 HydrophobicContact CB-CZ 4.18Å; K82-F84 HydrophobicContact CD-CD1 4.38Å; K82-F84 HydrophobicContact CD-CE1 3.3Å; K82-F84 HydrophobicContact CD-CZ 3.55Å; K82-F84 HydrophobicContact CG-CD1 3.96Å; K82-F84 HydrophobicContact CG-CE1 3.31Å; K82-F84 HydrophobicContact CG-CZ 4.04Å |
| 83 | G | 84.1 | Confident | 83.6 | Confident | 7 Ų | 7 | 72.7 Ų | 72.7 | 7% | 0.072 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 82 | 18.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | N48 L49 F81 | N48-G83 PolarHBondContact N-O 3.43Å; L49-G83 PolarHBondContact N-O 3.2Å; L49-G83 WeakPolarHBondContact O-CA 3.38Å; F81-G83 PolarHBondContact O-N 2.92Å |
| 84 | F | 87.3 | Confident | 83.3 | Confident | 31 Ų | 31 | 71.3 Ų | 71.3 | 14% | 0.136 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 151.4 | 174.1 | 62.9 | -95.8 | 0 | 0 | 0 | 113.1 | Y45 V46 V73 F81 K82 Y86 | Y45-F84 HydrophobicContact CE2-CB 3.59Å; Y45-F84 AromaticContact CE2-CD2 3.83Å; Y45-F84 HydrophobicContact CE2-CD2 3.83Å; Y45-F84 AromaticContact CE2-CG 3.87Å; Y45-F84 HydrophobicContact CE2-CG 3.87Å; V46-F84 CarbonylContact O-C 3.51Å; V46-F84 WeakPolarHBondContact O-CA 3.31Å; V46-F84 WeakPolarHBondContact O-CB 3.11Å; V73-F84 HydrophobicContact CB-CD2 3.79Å; V73-F84 HydrophobicContact CB-CE2 3.33Å; V73-F84 HydrophobicContact CB-CZ 3.87Å; V73-F84 HydrophobicContact CG1-CD2 4.47Å; V73-F84 HydrophobicContact CG1-CE2 3.57Å; V73-F84 HydrophobicContact CG1-CZ 3.62Å; V73-F84 HydrophobicContact CG2-CD2 3.95Å; V73-F84 HydrophobicContact CG2-CE2 3.49Å; V73-F84 VanDerWaalsContact CG2-CE2 3.49Å; V73-F84 HydrophobicContact CG2-CZ 4.4Å; V73-F84 PolarHBondContact N-O 3.06Å; F81-F84 WeakPolarHBondContact CE2-O 3.43Å; F81-F84 WeakPolarHBondContact CZ-O 3.18Å; K82-F84 HydrophobicContact CB-CD1 3.9Å; K82-F84 HydrophobicContact CB-CE1 3.59Å; K82-F84 HydrophobicContact CB-CZ 4.18Å; K82-F84 HydrophobicContact CD-CD1 4.38Å; K82-F84 HydrophobicContact CD-CE1 3.3Å; K82-F84 HydrophobicContact CD-CZ 3.55Å; K82-F84 HydrophobicContact CG-CD1 3.96Å; K82-F84 HydrophobicContact CG-CE1 3.31Å; K82-F84 HydrophobicContact CG-CZ 4.04Å; F84-Y86 HydrophobicContact CD2-CE2 4.12Å; F84-Y86 HydrophobicContact CE2-CE2 4.03Å |
| 85 | C | 87.9 | Confident | 82.9 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 161.3 | 175.5 | 65.8 | 0 | 0 | 0 | 0 | 110.9 | V46 L49 I58 R71 L72 | V46-C85 PolarHBondContact N-O 3.28Å; V46-C85 PolarHBondContact O-N 2.96Å; L49-C85 HydrophobicContact CD1-CB 4.38Å; L49-C85 VanDerWaalsContact CD1-SG 3.53Å; I58-C85 HydrophobicContact CD1-CB 3.89Å; I58-C85 VanDerWaalsContact CD1-SG 3.56Å; R71-C85 WeakPolarHBondContact O-CA 3.32Å; L72-C85 HydrophobicContact CD2-CB 4.2Å; L72-C85 HydrophobicContact CG-CB 4.49Å |
| 86 | Y | 88.3 | Confident | 82.7 | Confident | 81 Ų | 81 | 66.4 Ų | 66.4 | 32% | 0.318 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 131.6 | 168.2 | -61.5 | -85.9 | 0 | 0 | 0 | 108 | T43 A44 Y45 R71 V73 F84 A116 | T43-Y86 HydrophobicContact CG2-CD1 4.32Å; A44-Y86 CarbonylContact O-C 3.45Å; A44-Y86 WeakPolarHBondContact O-CA 3.49Å; Y45-Y86 HydrophobicContact CD2-CD1 4.27Å; Y45-Y86 AromaticContact CD2-CE1 3.71Å; Y45-Y86 HydrophobicContact CD2-CE1 3.71Å; Y45-Y86 AromaticContact CD2-CZ 3.98Å; Y45-Y86 HydrophobicContact CG-CE1 4.47Å; R71-Y86 PolarHBondContact N-O 3.49Å; R71-Y86 PolarHBondContact O-N 3.13Å; V73-Y86 HydrophobicContact CG2-CD2 3.95Å; V73-Y86 HydrophobicContact CG2-CE2 3.75Å; F84-Y86 HydrophobicContact CD2-CE2 4.12Å; F84-Y86 HydrophobicContact CE2-CE2 4.03Å; Y86-A116 HydrophobicContact CD1-CB 4.17Å; Y86-A116 HydrophobicContact CE1-CB 4.34Å |
| 87 | V | 86.3 | Confident | 82.7 | Confident | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 122.7 | 176.7 | -173.2 | 0 | 0 | 0 | 0 | 107.2 | T43 A44 V46 I58 I67 I70 F89 | T43-V87 CarbonylContact C-O 3.49Å; T43-V87 WeakPolarHBondContact CA-O 3.27Å; A44-V87 PolarHBondContact N-O 2.92Å; A44-V87 PolarHBondContact O-N 2.9Å; V46-V87 HydrophobicContact CG2-CG2 4.24Å; I58-V87 HydrophobicContact CG2-CG2 3.9Å; I67-V87 HydrophobicContact CB-CG1 4.42Å; I67-V87 HydrophobicContact CD1-CG1 4.47Å; I67-V87 HydrophobicContact CG1-CG1 4.05Å; I67-V87 HydrophobicContact CG2-CG1 3.66Å; I70-V87 HydrophobicContact CG1-CG1 4.46Å; V87-F89 HydrophobicContact CB-CE2 3.91Å; V87-F89 HydrophobicContact CB-CZ 3.88Å; V87-F89 HydrophobicContact CG1-CD1 4.26Å; V87-F89 HydrophobicContact CG1-CD2 4.35Å; V87-F89 HydrophobicContact CG1-CE1 3.66Å; V87-F89 HydrophobicContact CG1-CE2 3.76Å; V87-F89 HydrophobicContact CG1-CZ 3.38Å |
| 88 | E | 86.6 | Confident | 82.6 | Confident | 45 Ų | 45 | 53.5 Ų | 53.5 | 21% | 0.21 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 125.7 | 173.3 | -170.9 | 179.9 | 143.8 | 0 | 0 | 108.3 | P41 R68 S69 | P41-E88 HydrophobicContact CB-CG 3.9Å; R68-E88 HydrophobicContact CB-CG 4.34Å; R68-E88 VanDerWaalsContact CD-OE1 3.26Å; R68-E88 WeakPolarHBondContact CD-OE1 3.49Å; R68-E88 IonicContact CZ-OE1 3.47Å; R68-E88 PolarHBondContact N-O 3.25Å; R68-E88 IonicContact NE-OE1 3.62Å; R68-E88 IonicContact NH1-OE1 2.88Å; R68-E88 PolarHBondContact NH1-OE1 3.46Å; S69-E88 PolarHBondContact N-O 3.5Å; S69-E88 PolarHBondContact O-N 3.3Å |
| 89 | F | 84 | Confident | 82.5 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 1% | 0.009 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 148.5 | 176.8 | -59.1 | -79.9 | 0 | 0 | 0 | 110.1 | Y42 A44 L65 S66 I67 V87 L95 A98 | Y42-F89 PolarHBondContact O-N 3.44Å; A44-F89 HydrophobicContact CB-CD2 4.36Å; A44-F89 HydrophobicContact CB-CE2 3.62Å; L65-F89 HydrophobicContact CB-CD1 4.17Å; L65-F89 HydrophobicContact CB-CE1 3.76Å; L65-F89 HydrophobicContact CD1-CE1 3.85Å; L65-F89 HydrophobicContact CD1-CZ 4.09Å; L65-F89 HydrophobicContact CG-CE1 4.49Å; S66-F89 WeakPolarHBondContact O-CA 3.38Å; I67-F89 HydrophobicContact CG1-CD1 4.17Å; I67-F89 HydrophobicContact CG1-CE1 3.8Å; V87-F89 HydrophobicContact CB-CE2 3.91Å; V87-F89 HydrophobicContact CB-CZ 3.88Å; V87-F89 HydrophobicContact CG1-CD1 4.26Å; V87-F89 HydrophobicContact CG1-CD2 4.35Å; V87-F89 HydrophobicContact CG1-CE1 3.66Å; V87-F89 HydrophobicContact CG1-CE2 3.76Å; V87-F89 HydrophobicContact CG1-CZ 3.38Å; F89-L95 HydrophobicContact CD2-CD1 4.33Å; F89-A98 HydrophobicContact CE2-CB 4.31Å; F89-A98 HydrophobicContact CZ-CB 4.22Å |
| 90 | D | 81.7 | Confident | 82.6 | Confident | 115 Ų | 115 | 52.4 Ų | 52.4 | 62% | 0.615 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -81.7 | -26.2 | 174 | -155.7 | -110.1 | 0 | 0 | 0 | 111.5 | Y42 S66 | Y42-D90 WeakPolarHBondContact CE2-O 3.34Å; S66-D90 PolarHBondContact O-N 2.78Å |
| 91 | E | 80.8 | Confident | 82.3 | Confident | 86 Ų | 86 | 50.4 Ų | 50.4 | 40% | 0.402 | 25% | 0.246 | S | C | . | . | trans | -114.9 | 144.1 | -171.4 | -164.1 | -155 | -168.9 | 0 | 0 | 112.4 | D93 S94 L95 | E91-D93 HydrophobicContact CG-CB 4.12Å; E91-D93 WeakPolarHBondContact OE1-CB 3.29Å; E91-S94 PolarHBondContact OE2-N 3.06Å; E91-S94 VanDerWaalsContact OE2-N 3.17Å; E91-S94 PolarHBondContact OE2-OG 2.88Å; E91-L95 PolarHBondContact O-N 3.48Å | ||
| 92 | V | 80.6 | Confident | 82.1 | Confident | 47 Ų | 47 | 52.3 Ų | 52.3 | 29% | 0.285 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -70 | -30.2 | 172.7 | 67.6 | 0 | 0 | 0 | 0 | 113.2 | L36 Y42 L95 K96 | L36-V92 HydrophobicContact CB-CG2 4.04Å; L36-V92 HydrophobicContact CD1-CG2 4.09Å; L36-V92 HydrophobicContact CD2-CG2 4.33Å; L36-V92 HydrophobicContact CG-CG2 4.38Å; Y42-V92 HydrophobicContact CD1-CB 4.22Å; Y42-V92 HydrophobicContact CD1-CG2 4.35Å; Y42-V92 HydrophobicContact CE1-CB 3.64Å; Y42-V92 HydrophobicContact CE1-CG2 3.85Å; Y42-V92 HydrophobicContact CE2-CB 4.43Å; V92-L95 WeakPolarHBondContact O-CB 3.43Å; V92-L95 PolarHBondContact O-N 2.93Å; V92-K96 PolarHBondContact O-N 3.46Å |
| 93 | D | 81.9 | Confident | 81.6 | Confident | 74 Ų | 74 | 48.6 Ų | 48.6 | 40% | 0.396 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70.2 | -43.4 | -178.9 | -146.1 | -109.4 | 0 | 0 | 0 | 110.6 | E91 L95 K96 E97 | E91-D93 HydrophobicContact CG-CB 4.12Å; E91-D93 WeakPolarHBondContact OE1-CB 3.29Å; D93-L95 PolarHBondContact O-N 3.32Å; D93-K96 WeakPolarHBondContact O-CB 3.46Å; D93-K96 PolarHBondContact O-N 2.91Å; D93-K96 IonicContact OD2-NZ 3.68Å; D93-E97 WeakPolarHBondContact O-CG 3.35Å; D93-E97 PolarHBondContact O-N 2.88Å |
| 94 | S | 78.4 | Confident | 81.2 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.021 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -50.8 | -39.3 | 168 | -66.6 | 0 | 0 | 0 | 0 | 113.5 | S66 E91 A98 | S66-S94 PolarHBondContact N-OG 2.77Å; E91-S94 PolarHBondContact OE2-N 3.06Å; E91-S94 VanDerWaalsContact OE2-N 3.17Å; E91-S94 PolarHBondContact OE2-OG 2.88Å; S94-A98 WeakPolarHBondContact O-CB 3.31Å; S94-A98 PolarHBondContact O-N 3.25Å |
| 95 | L | 78.3 | Confident | 80.6 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -67 | -39.6 | 175.5 | -173.4 | 78.8 | 0 | 0 | 0 | 112.4 | L36 P37 Y42 A44 F89 E91 V92 D93 A98 L99 I115 | L36-L95 HydrophobicContact CD2-CD2 3.58Å; L36-L95 HydrophobicContact CD2-CG 4.2Å; P37-L95 HydrophobicContact CG-CD2 4.46Å; Y42-L95 HydrophobicContact CD1-CD2 4.2Å; A44-L95 HydrophobicContact CB-CD1 4.12Å; F89-L95 HydrophobicContact CD2-CD1 4.33Å; E91-L95 PolarHBondContact O-N 3.48Å; V92-L95 WeakPolarHBondContact O-CB 3.43Å; V92-L95 PolarHBondContact O-N 2.93Å; D93-L95 PolarHBondContact O-N 3.32Å; L95-A98 PolarHBondContact O-N 3.19Å; L95-L99 WeakPolarHBondContact O-CG 3.21Å; L95-L99 PolarHBondContact O-N 2.85Å; L95-I115 HydrophobicContact CD2-CD1 4.39Å; L95-I115 HydrophobicContact CD2-CG1 4.28Å; L95-I115 HydrophobicContact CD2-CG2 4.12Å; L95-I115 HydrophobicContact CG-CG1 4.45Å |
| 96 | K | 81.2 | Confident | 79.7 | Confident | 90 Ų | 90 | 58.3 Ų | 58.3 | 39% | 0.391 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -67.4 | -45.4 | 178.3 | -67 | 174.3 | -168.3 | 163.4 | 0 | 111.6 | L36 V92 D93 A98 L99 T100 | L36-K96 HydrophobicContact CD1-CD 3.95Å; L36-K96 HydrophobicContact CD1-CG 3.67Å; L36-K96 HydrophobicContact CD2-CG 3.68Å; L36-K96 HydrophobicContact CG-CG 4.33Å; V92-K96 PolarHBondContact O-N 3.46Å; D93-K96 WeakPolarHBondContact O-CB 3.46Å; D93-K96 PolarHBondContact O-N 2.91Å; D93-K96 IonicContact OD2-NZ 3.68Å; K96-A98 VanDerWaalsContact C-N 3.3Å; K96-A98 PolarHBondContact O-N 2.75Å; K96-L99 WeakPolarHBondContact O-CB 3.42Å; K96-L99 PolarHBondContact O-N 3.22Å; K96-L99 VanDerWaalsContact O-N 3.13Å; K96-T100 PolarHBondContact O-N 2.99Å; K96-T100 PolarHBondContact O-OG1 3.18Å |
| 97 | E | 81 | Confident | 78.9 | Confident | 78 Ų | 78 | 57.6 Ų | 57.6 | 36% | 0.364 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -55.9 | -48 | 175.2 | -72.9 | -94.7 | 98.3 | 0 | 0 | 109.9 | L65 D93 L99 T100 Y101 | L65-E97 HydrophobicContact CD1-CB 4.49Å; L65-E97 HydrophobicContact CD2-CB 3.48Å; L65-E97 VanDerWaalsContact CD2-CB 3.48Å; L65-E97 HydrophobicContact CD2-CG 4.06Å; D93-E97 WeakPolarHBondContact O-CG 3.35Å; D93-E97 PolarHBondContact O-N 2.88Å; E97-L99 PolarHBondContact O-N 2.95Å; E97-T100 WeakPolarHBondContact O-CA 3.22Å; E97-T100 VanDerWaalsContact O-CB 3.27Å; E97-T100 WeakPolarHBondContact O-CB 3.38Å; E97-T100 PolarHBondContact O-N 2.94Å; E97-Y101 WeakPolarHBondContact O-CD2 3.2Å; E97-Y101 PolarHBondContact O-N 3.11Å |
| 98 | A | 78.1 | Confident | 78.4 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -56.6 | -35.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | F62 L65 F89 S94 L95 K96 T100 Y101 V113 | F62-A98 HydrophobicContact CE1-CB 4.29Å; L65-A98 HydrophobicContact CD1-CB 3.97Å; F89-A98 HydrophobicContact CE2-CB 4.31Å; F89-A98 HydrophobicContact CZ-CB 4.22Å; S94-A98 WeakPolarHBondContact O-CB 3.31Å; S94-A98 PolarHBondContact O-N 3.25Å; L95-A98 PolarHBondContact O-N 3.19Å; K96-A98 VanDerWaalsContact C-N 3.3Å; K96-A98 PolarHBondContact O-N 2.75Å; A98-T100 VanDerWaalsContact C-N 3.32Å; A98-Y101 PolarHBondContact O-N 2.85Å; A98-V113 HydrophobicContact CB-CG1 4.21Å; A98-V113 WeakPolarHBondContact O-CB 3.18Å; A98-V113 WeakPolarHBondContact O-CG1 3.45Å |
| 99 | L | 79.6 | Confident | 78 | Confident | 45 Ų | 45 | 68.3 Ų | 68.3 | 24% | 0.236 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -70.3 | -28.9 | 176.8 | -67.5 | 161.5 | 0 | 0 | 0 | 112.8 | L36 L95 K96 E97 Y101 D102 I115 | L36-L99 HydrophobicContact CD2-CD1 4.36Å; L95-L99 WeakPolarHBondContact O-CG 3.21Å; L95-L99 PolarHBondContact O-N 2.85Å; K96-L99 WeakPolarHBondContact O-CB 3.42Å; K96-L99 PolarHBondContact O-N 3.22Å; K96-L99 VanDerWaalsContact O-N 3.13Å; E97-L99 PolarHBondContact O-N 2.95Å; L99-Y101 PolarHBondContact O-N 3.14Å; L99-D102 WeakPolarHBondContact O-CB 3.03Å; L99-D102 PolarHBondContact O-N 3.05Å; L99-D102 VanDerWaalsContact O-N 3.12Å; L99-I115 HydrophobicContact CD1-CD1 3.58Å; L99-I115 HydrophobicContact CD1-CG1 3.58Å; L99-I115 HydrophobicContact CD2-CD1 4.39Å; L99-I115 HydrophobicContact CD2-CG1 3.64Å; L99-I115 HydrophobicContact CG-CG1 4.06Å |
| 100 | T | 81.3 | Confident | 78 | Confident | 114 Ų | 114 | 71 Ų | 71 | 70% | 0.699 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -66.6 | -27.5 | 173.3 | -50.4 | 0 | 0 | 0 | 0 | 111.3 | K96 E97 A98 D102 | K96-T100 PolarHBondContact O-N 2.99Å; K96-T100 PolarHBondContact O-OG1 3.18Å; E97-T100 WeakPolarHBondContact O-CA 3.22Å; E97-T100 VanDerWaalsContact O-CB 3.27Å; E97-T100 WeakPolarHBondContact O-CB 3.38Å; E97-T100 PolarHBondContact O-N 2.94Å; A98-T100 VanDerWaalsContact C-N 3.32Å; T100-D102 PolarHBondContact O-N 3.09Å |
| 101 | Y | 74.8 | Confident | 78.1 | Confident | 100 Ų | 100 | 66.1 Ų | 66.1 | 39% | 0.392 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | 2.4 | 173.4 | -66.4 | -81.3 | 0 | 0 | 0 | 113.8 | E97 A98 L99 G103 A104 | E97-Y101 WeakPolarHBondContact O-CD2 3.2Å; E97-Y101 PolarHBondContact O-N 3.11Å; A98-Y101 PolarHBondContact O-N 2.85Å; L99-Y101 PolarHBondContact O-N 3.14Å; Y101-G103 PolarHBondContact O-N 3.4Å; Y101-A104 WeakPolarHBondContact O-CB 3.44Å; Y101-A104 PolarHBondContact O-N 3.42Å |
| 102 | D | 79.5 | Confident | 78.4 | Confident | 59 Ų | 59 | 68.5 Ų | 68.5 | 32% | 0.316 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | 127.3 | 172.2 | -176.4 | -127 | 0 | 0 | 0 | 111.1 | R31 L99 T100 A104 R112 V113 | R31-D102 IonicContact CZ-OD1 3.99Å; R31-D102 IonicContact CZ-OD2 2.71Å; R31-D102 IonicContact NH1-OD1 3.31Å; R31-D102 PolarHBondContact NH1-OD1 3.15Å; R31-D102 IonicContact NH1-OD2 3.28Å; R31-D102 PolarHBondContact NH1-OD2 3.22Å; R31-D102 IonicContact NH2-OD2 3.04Å; L99-D102 WeakPolarHBondContact O-CB 3.03Å; L99-D102 PolarHBondContact O-N 3.05Å; L99-D102 VanDerWaalsContact O-N 3.12Å; T100-D102 PolarHBondContact O-N 3.09Å; D102-A104 VanDerWaalsContact C-N 3.34Å; D102-R112 WeakPolarHBondContact OD2-CA 3.3Å; D102-V113 HydrophobicContact CB-CB 4.17Å; D102-V113 PolarHBondContact OD2-N 3.07Å; D102-V113 VanDerWaalsContact OD2-O 3.08Å |
| 103 | G | 73.2 | Confident | 78.6 | Confident | 43 Ų | 43 | 66.3 Ų | 66.3 | 44% | 0.443 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 84.9 | 0.8 | -179 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y101 L105 L111 | Y101-G103 PolarHBondContact O-N 3.4Å; G103-L105 PolarHBondContact O-N 3.34Å; G103-L111 WeakPolarHBondContact CA-O 3.47Å; G103-L111 PolarHBondContact N-O 2.9Å |
| 104 | A | 74.1 | Confident | 78.7 | Confident | 38 Ų | 38 | 64.7 Ų | 64.7 | 31% | 0.314 | 35% | 0.354 | S | S | . | . | trans | -59.5 | 134.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y101 D102 L106 S110 L111 | Y101-A104 WeakPolarHBondContact O-CB 3.44Å; Y101-A104 PolarHBondContact O-N 3.42Å; D102-A104 VanDerWaalsContact C-N 3.34Å; A104-L106 PolarHBondContact O-N 2.96Å; A104-S110 CarbonylContact O-C 3.39Å; A104-L111 HydrophobicContact CB-CD1 4.31Å; A104-L111 WeakPolarHBondContact O-CB 3.21Å; A104-L111 WeakPolarHBondContact O-CG 3.45Å; A104-L111 PolarHBondContact O-N 3.34Å | ||
| 105 | L | 75.1 | Confident | 78.9 | Confident | 143 Ų | 143 | 65 Ų | 65 | 75% | 0.749 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 111.9 | 179.5 | -67.2 | 169 | 0 | 0 | 0 | 109.7 | G103 | G103-L105 PolarHBondContact O-N 3.34Å |
| 106 | L | 68.2 | Low | 78.8 | Confident | 61 Ų | 61 | 65.7 Ų | 65.7 | 32% | 0.319 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 91.3 | 171.6 | -167.6 | 122.1 | 0 | 0 | 0 | 108.7 | P50 I61 A104 D108 R109 L111 | P50-L106 HydrophobicContact CG-CD2 3.78Å; I61-L106 HydrophobicContact CD1-CD1 3.62Å; I61-L106 HydrophobicContact CG1-CD1 4.31Å; A104-L106 PolarHBondContact O-N 2.96Å; L106-D108 PolarHBondContact O-N 3.2Å; L106-R109 PolarHBondContact N-O 3.28Å; L106-R109 PolarHBondContact O-N 2.92Å; L106-L111 HydrophobicContact CB-CD1 4.06Å; L106-L111 HydrophobicContact CB-CD2 3.89Å; L106-L111 HydrophobicContact CB-CG 3.82Å; L106-L111 HydrophobicContact CD1-CD1 4.08Å; L106-L111 HydrophobicContact CD1-CD2 4.4Å |
| 107 | G | 72.7 | Confident | 78.3 | Confident | 66 Ų | 66 | 68.2 Ų | 68.2 | 68% | 0.68 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | -126.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 111 | R109 | G107-R109 VanDerWaalsContact C-N 3.3Å; G107-R109 PolarHBondContact O-N 3.02Å |
| 108 | D | 76.5 | Confident | 77.3 | Confident | 175 Ų | 175 | 65.6 Ų | 65.6 | 94% | 0.936 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 7.6 | 178.4 | -66.1 | -88.3 | 0 | 0 | 0 | 114.4 | L106 | L106-D108 PolarHBondContact O-N 3.2Š|
| 109 | R | 77.8 | Confident | 76.2 | Confident | 95 Ų | 95 | 77 Ų | 77 | 36% | 0.358 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 138.5 | -175.2 | -63 | -174.9 | -179.2 | -175 | 0.1 | 111.7 | L106 G107 | L106-R109 PolarHBondContact N-O 3.28Å; L106-R109 PolarHBondContact O-N 2.92Å; G107-R109 VanDerWaalsContact C-N 3.3Å; G107-R109 PolarHBondContact O-N 3.02Å |
| 110 | S | 83.2 | Confident | 75 | Confident | 59 Ų | 59 | 81.2 Ų | 81.2 | 41% | 0.413 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 125.2 | 172.6 | 45.5 | 0 | 0 | 0 | 0 | 111.1 | N48 A104 | N48-S110 VanDerWaalsContact CB-O 3.3Å; N48-S110 WeakPolarHBondContact CB-O 3.49Å; N48-S110 PolarHBondContact ND2-O 2.85Å; A104-S110 CarbonylContact O-C 3.39Å |
| 111 | L | 84.9 | Confident | 73.6 | Confident | 11 Ų | 11 | 84.5 Ų | 84.5 | 6% | 0.058 | 44% | 0.435 | C | S | . | . | trans | -65.8 | 143.7 | 171.8 | -63.8 | 177 | 0 | 0 | 0 | 109.9 | L49 G103 A104 L106 | L49-L111 HydrophobicContact CD2-CD2 3.47Å; L49-L111 VanDerWaalsContact CD2-CD2 3.47Å; L49-L111 HydrophobicContact CG-CD2 4.43Å; G103-L111 WeakPolarHBondContact CA-O 3.47Å; G103-L111 PolarHBondContact N-O 2.9Å; A104-L111 HydrophobicContact CB-CD1 4.31Å; A104-L111 WeakPolarHBondContact O-CB 3.21Å; A104-L111 WeakPolarHBondContact O-CG 3.45Å; A104-L111 PolarHBondContact O-N 3.34Å; L106-L111 HydrophobicContact CB-CD1 4.06Å; L106-L111 HydrophobicContact CB-CD2 3.89Å; L106-L111 HydrophobicContact CB-CG 3.82Å; L106-L111 HydrophobicContact CD1-CD1 4.08Å; L106-L111 HydrophobicContact CD1-CD2 4.4Å | ||
| 112 | R | 85.2 | Confident | 72.3 | Confident | 136 Ų | 136 | 84.8 Ų | 84.8 | 51% | 0.513 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 111 | 174.5 | -172.1 | 178.4 | -177 | -158.2 | -0.2 | 109.4 | V46 G47 D102 | V46-R112 CarbonylContact C-O 3.59Å; V46-R112 WeakPolarHBondContact CA-O 3.18Å; G47-R112 PolarHBondContact N-O 3.3Å; G47-R112 PolarHBondContact O-N 3.39Å; D102-R112 WeakPolarHBondContact OD2-CA 3.3Å |
| 113 | V | 85.6 | Confident | 71 | Confident | 1 Ų | 1 | 92 Ų | 92 | 1% | 0.006 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 127.5 | 177.2 | -170 | 0 | 0 | 0 | 0 | 108.8 | R31 A44 Y45 V46 A98 D102 | R31-V113 VanDerWaalsContact CZ-O 3.27Å; R31-V113 PolarHBondContact NH1-O 2.83Å; R31-V113 PolarHBondContact NH2-O 2.74Å; A44-V113 HydrophobicContact CB-CG1 4.29Å; Y45-V113 CarbonylContact O-C 3.56Å; Y45-V113 VanDerWaalsContact O-CA 3.31Å; Y45-V113 WeakPolarHBondContact O-CA 3.3Å; V46-V113 HydrophobicContact CG1-CG2 4.35Å; V46-V113 HydrophobicContact CG2-CG1 4.35Å; V46-V113 HydrophobicContact CG2-CG2 4.4Å; A98-V113 HydrophobicContact CB-CG1 4.21Å; A98-V113 WeakPolarHBondContact O-CB 3.18Å; A98-V113 WeakPolarHBondContact O-CG1 3.45Å; D102-V113 HydrophobicContact CB-CB 4.17Å; D102-V113 PolarHBondContact OD2-N 3.07Å; D102-V113 VanDerWaalsContact OD2-O 3.08Å |
| 114 | D | 84.5 | Confident | 69.9 | Low | 40 Ų | 40 | 93 Ų | 93 | 21% | 0.214 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 149.9 | 175.6 | -153.6 | -122.9 | 0 | 0 | 0 | 109.6 | R31 A44 Y45 A116 | R31-D114 IonicContact CZ-OD2 3.73Å; R31-D114 VanDerWaalsContact CZ-OD2 3.28Å; R31-D114 IonicContact NE-OD2 3.92Å; R31-D114 PolarHBondContact NE-OD2 2.81Å; R31-D114 VanDerWaalsContact NH2-CG 3.34Å; R31-D114 IonicContact NH2-OD2 2.76Å; R31-D114 PolarHBondContact NH2-OD2 3.13Å; A44-D114 CarbonylContact C-O 3.51Å; A44-D114 WeakPolarHBondContact CA-O 3.43Å; Y45-D114 HydrophobicContact CD1-CB 4.08Å; Y45-D114 PolarHBondContact N-O 2.83Å; Y45-D114 PolarHBondContact O-N 2.79Å; D114-A116 PolarHBondContact O-N 2.97Å |
| 115 | I | 81.4 | Confident | 68.7 | Low | 9 Ų | 9 | 94.4 Ų | 94.4 | 5% | 0.046 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 117.4 | 168 | -56.4 | 171.5 | 0 | 0 | 0 | 107.8 | K34 L36 P37 L95 L99 | K34-I115 HydrophobicContact CB-CD1 4.32Å; K34-I115 WeakPolarHBondContact O-CD1 3.45Å; L36-I115 HydrophobicContact CD2-CD1 4.27Å; P37-I115 HydrophobicContact CG-CG2 4.28Å; L95-I115 HydrophobicContact CD2-CD1 4.39Å; L95-I115 HydrophobicContact CD2-CG1 4.28Å; L95-I115 HydrophobicContact CD2-CG2 4.12Å; L95-I115 HydrophobicContact CG-CG1 4.45Å; L99-I115 HydrophobicContact CD1-CD1 3.58Å; L99-I115 HydrophobicContact CD1-CG1 3.58Å; L99-I115 HydrophobicContact CD2-CD1 4.39Å; L99-I115 HydrophobicContact CD2-CG1 3.64Å; L99-I115 HydrophobicContact CG-CG1 4.06Å |
| 116 | A | 77.8 | Confident | 67.4 | Low | 16 Ų | 16 | 97.7 Ų | 97.7 | 13% | 0.132 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 114.2 | 167 | 0 | 0 | 0 | 0 | 0 | 107.7 | T43 Y86 D114 G118 | T43-A116 CarbonylContact C-O 3.51Å; T43-A116 VanDerWaalsContact CB-O 3.27Å; T43-A116 WeakPolarHBondContact CB-O 3.41Å; T43-A116 HydrophobicContact CG2-CB 4.03Å; T43-A116 CarbonylContact O-C 3.58Å; T43-A116 WeakPolarHBondContact O-CA 3.41Å; T43-A116 PolarHBondContact O-N 2.73Å; Y86-A116 HydrophobicContact CD1-CB 4.17Å; Y86-A116 HydrophobicContact CE1-CB 4.34Å; D114-A116 PolarHBondContact O-N 2.97Å; A116-G118 PolarHBondContact O-N 3.31Å |
| 117 | E | 70.1 | Confident | 66.4 | Low | 143 Ų | 143 | 97 Ų | 97 | 67% | 0.668 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63 | 114.9 | 159.7 | -75.9 | -142.5 | 109.3 | 0 | 0 | 107.1 | R119 | E117-R119 PolarHBondContact O-N 3.45Å |
| 118 | G | 59.1 | Low | 65.2 | Low | 24 Ų | 24 | 103.4 Ų | 103.4 | 25% | 0.247 | 53% | 0.527 | C | S | . | . | trans | -51.7 | 131 | 167.7 | 0 | 0 | 0 | 0 | 0 | 106.3 | A116 K120 | A116-G118 PolarHBondContact O-N 3.31Å; G118-K120 PolarHBondContact O-N 2.79Å | ||
| 119 | R | 56.7 | Low | 64 | Low | 240 Ų | 240 | 107.5 Ų | 107.5 | 91% | 0.906 | 53% | 0.529 | S | S | * | . | trans | -53.5 | 114.1 | 168.3 | -65.7 | -169.8 | -155 | -178.4 | 4.6 | 104.4 | E117 Q121 | E117-R119 PolarHBondContact O-N 3.45Å; R119-Q121 PolarHBondContact O-N 3.36Å | ||
| 120 | K | 53.5 | Low | 62.5 | Low | 133 Ų | 133 | 111 Ų | 111 | 58% | 0.578 | 55% | 0.546 | S | S | * | . | trans | -43.4 | 117 | 168 | -82.5 | -172.7 | 171.4 | -165.7 | 0 | 103.8 | E39 G118 D122 | E39-K120 WeakPolarHBondContact OE2-CE 3.47Å; E39-K120 IonicContact OE2-NZ 2.71Å; E39-K120 PolarHBondContact OE2-NZ 3.17Å; G118-K120 PolarHBondContact O-N 2.79Å; K120-D122 PolarHBondContact O-N 3.26Å | ||
| 121 | Q | 51 | Low | 60.8 | Low | 183 Ų | 183 | 112 Ų | 112 | 86% | 0.855 | 57% | 0.567 | S | S | * | * | trans | -71.3 | 82.3 | 174.3 | -166.3 | 141.2 | 30.1 | 0 | 0 | 103.2 | R119 K123 | R119-Q121 PolarHBondContact O-N 3.36Å; Q121-K123 PolarHBondContact O-N 3.47Å | ||
| 122 | D | 48.9 | Very low | 58.7 | Low | 106 Ų | 106 | 113.4 Ų | 113.4 | 57% | 0.567 | 58% | 0.584 | S | S | * | * | trans | -59.8 | 80.9 | 160.9 | -62.4 | -68.6 | 0 | 0 | 0 | 104.2 | K120 G124 | K120-D122 PolarHBondContact O-N 3.26Å; D122-G124 PolarHBondContact O-N 2.79Å | ||
| 123 | K | 51.4 | Low | 56.9 | Low | 210 Ų | 210 | 113 Ų | 113 | 91% | 0.913 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -69.7 | 73.5 | 166.3 | -159 | 176.9 | -178 | -178.9 | 0 | 104.3 | Q121 | Q121-K123 PolarHBondContact O-N 3.47Š|
| 124 | G | 50.3 | Low | 55 | Low | 63 Ų | 63 | 119.4 Ų | 119.4 | 65% | 0.649 | 63% | 0.633 | S | S | * | * | S | Bend | trans | 120.3 | 110.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | D122 | D122-G124 PolarHBondContact O-N 2.79Š|
| 125 | G | 49.9 | Very low | 53.4 | Low | 68 Ų | 68 | 124.7 Ų | 124.7 | 70% | 0.701 | 66% | 0.661 | S | S | * | * | trans | 142.2 | 13.2 | 155.6 | 0 | 0 | 0 | 0 | 0 | 120 | G127 | G125-G127 PolarHBondContact O-N 3.37Š| ||
| 126 | F | 47.6 | Very low | 51.6 | Low | 213 Ų | 213 | 136.5 Ų | 136.5 | 93% | 0.934 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -90.5 | 83.9 | 163.8 | -93.6 | -87.5 | 0 | 0 | 0 | 110.8 | ||
| 127 | G | 47.2 | Very low | 49.8 | Very low | 47 Ų | 47 | 139.3 Ų | 139.3 | 49% | 0.485 | 74% | 0.736 | S | S | . | * | S | Bend | trans | 162.5 | 123.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110 | G125 | G125-G127 PolarHBondContact O-N 3.37Š|
| 128 | F | 46.8 | Very low | 48.3 | Very low | 200 Ų | 200 | 141 Ų | 141 | 88% | 0.877 | 75% | 0.746 | S | S | * | * | trans | 86.3 | 52.6 | 173 | -35.8 | -68.8 | 0 | 0 | 0 | 118.5 | ||||
| 129 | R | 50.4 | Low | 47.8 | Very low | 260 Ų | 260 | 143.5 Ų | 143.5 | 98% | 0.981 | 77% | 0.771 | S | S | * | * | trans | -94.4 | 57.5 | 130.4 | -77 | -81.4 | -143.3 | -125 | -2.2 | 108.3 | G131 | R129-G131 PolarHBondContact O-N 3Å; R129-G131 VanDerWaalsContact O-N 3.1Å | ||
| 130 | K | 46.8 | Very low | 46.9 | Very low | 168 Ų | 168 | 136.9 Ų | 136.9 | 73% | 0.73 | 76% | 0.762 | S | S | * | * | trans | -79.4 | 84.5 | 160.9 | -172.3 | 177.5 | 177.6 | -179.1 | 0 | 105.3 | G132 | K130-G132 PolarHBondContact O-N 3.45Å; K130-G132 VanDerWaalsContact O-N 3.11Å | ||
| 131 | G | 47 | Very low | 46.4 | Very low | 81 Ų | 81 | 135.4 Ų | 135.4 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | -54.8 | 111.5 | 150.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | R129 | R129-G131 PolarHBondContact O-N 3Å; R129-G131 VanDerWaalsContact O-N 3.1Å | ||
| 132 | G | 40.8 | Very low | 45.7 | Very low | 41 Ų | 41 | 137.6 Ų | 137.6 | 42% | 0.423 | 77% | 0.769 | S | S | . | * | trans | 136.4 | 143.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K130 | K130-G132 PolarHBondContact O-N 3.45Å; K130-G132 VanDerWaalsContact O-N 3.11Å | ||
| 133 | P | 48.8 | Very low | 45.1 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | S | Bend | cis | -141.8 | 105.1 | 7.5 | 34.6 | -11.1 | 0 | 0 | 0 | 113.9 | ||
| 134 | D | 45.7 | Very low | 44.5 | Very low | 135 Ų | 135 | 136.2 Ų | 136.2 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -137.2 | 20.5 | 178.3 | 50.9 | -63.7 | 0 | 0 | 0 | 116.1 | ||
| 135 | D | 49.4 | Very low | 43.9 | Very low | 150 Ų | 150 | 144.3 Ų | 144.3 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | -145.1 | 41.2 | 176.9 | -65.9 | -77.1 | 0 | 0 | 0 | 115.8 | ||||
| 136 | R | 44.8 | Very low | 43.2 | Very low | 258 Ų | 258 | 145 Ų | 145 | 97% | 0.974 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -125.4 | 97 | 161.5 | -74.5 | -163.1 | -164.3 | 153.5 | 4.6 | 111 | ||
| 137 | G | 40.6 | Very low | 42.6 | Very low | 75 Ų | 75 | 138 Ų | 138 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | trans | 157.5 | 10.1 | 161.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | G139 | G137-G139 PolarHBondContact O-N 2.82Å; G137-G139 VanDerWaalsContact O-N 3.11Å | ||
| 138 | M | 38.1 | Very low | 42.1 | Very low | 179 Ų | 179 | 147.8 Ų | 147.8 | 88% | 0.882 | 80% | 0.803 | S | S | * | * | trans | -79.8 | 95 | 168.8 | -169.3 | 64.9 | 87.6 | 0 | 0 | 108.6 | S140 | M138-S140 PolarHBondContact O-N 3.46Å; M138-S140 VanDerWaalsContact O-N 3.14Å | ||
| 139 | G | 48.2 | Very low | 41.8 | Very low | 75 Ų | 75 | 143.8 Ų | 143.8 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -52.2 | 117.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | G137 | G137-G139 PolarHBondContact O-N 2.82Å; G137-G139 VanDerWaalsContact O-N 3.11Å | ||
| 140 | S | 36.9 | Very low | 41.2 | Very low | 102 Ų | 102 | 137 Ų | 137 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | -138.5 | 100.8 | 162.5 | -155.5 | 0 | 0 | 0 | 0 | 108.8 | M138 | M138-S140 PolarHBondContact O-N 3.46Å; M138-S140 VanDerWaalsContact O-N 3.14Å | ||
| 141 | S | 43.7 | Very low | 40.9 | Very low | 102 Ų | 102 | 137.4 Ų | 137.4 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | trans | -11.6 | 126.6 | 147.4 | -175.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 142 | R | 37.3 | Very low | 40.4 | Very low | 228 Ų | 228 | 139.3 Ų | 139.3 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | 176 | 128.1 | 125.5 | -88.9 | 149.1 | -159.9 | -173 | 6.3 | 110.9 | |||||
| 143 | E | 36.1 | Very low | 40.4 | Very low | 169 Ų | 169 | 144 Ų | 144 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -48 | 146.4 | 166.6 | -59.7 | 165.8 | 70.7 | 0 | 0 | 113.3 | ||||
| 144 | S | 38.9 | Very low | 40 | Very low | 118 Ų | 118 | 146.4 Ų | 146.4 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | trans | 179.7 | 96.9 | 146.3 | -76.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 145 | R | 37.1 | Very low | 39.9 | Very low | 234 Ų | 234 | 147.8 Ų | 147.8 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | 46.7 | 116.1 | 82.4 | -74.7 | -169.2 | 178.1 | 168.1 | 2.5 | 115.1 | |||||
| 146 | G | 34.5 | Very low | 39.4 | Very low | 83 Ų | 83 | 146.2 Ų | 146.2 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | 92.4 | 128.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 147 | G | 36.6 | Very low | 39.4 | Very low | 64 Ų | 64 | 137 Ų | 137 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | cis | 118.4 | 106.4 | 26.1 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 148 | W | 35.1 | Very low | 39.3 | Very low | 253 Ų | 253 | 143.4 Ų | 143.4 | 96% | 0.958 | 78% | 0.784 | S | S | * | * | trans | -156.2 | 94.6 | 154.4 | -83.9 | -45.2 | 0 | 0 | 0 | 109.7 | S150 | W148-S150 PolarHBondContact O-N 2.77Š| ||
| 149 | D | 40.8 | Very low | 39.3 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 63% | 0.626 | 78% | 0.78 | S | S | * | * | trans | -54.7 | 121.9 | 147.8 | -128.4 | -97.1 | 0 | 0 | 0 | 107.2 | R151 | D149-R151 WeakPolarHBondContact OD1-CD 3.46Å; D149-R151 IonicContact OD1-CZ 2.76Å; D149-R151 IonicContact OD1-NE 2.69Å; D149-R151 IonicContact OD1-NH1 3.71Å; D149-R151 PolarHBondContact OD1-NH1 3.4Å; D149-R151 IonicContact OD2-NH1 2.96Å; D149-R151 PolarHBondContact OD2-NH1 3.28Å | ||
| 150 | S | 39 | Very low | 38.8 | Very low | 116 Ų | 116 | 147.5 Ų | 147.5 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | trans | -137.1 | 79.6 | 154 | -69.9 | 0 | 0 | 0 | 0 | 105.9 | W148 | W148-S150 PolarHBondContact O-N 2.77Š| ||
| 151 | R | 39.3 | Very low | 39.1 | Very low | 178 Ų | 178 | 149.3 Ų | 149.3 | 67% | 0.672 | 78% | 0.778 | S | S | * | * | trans | -57.3 | 143.4 | 154.2 | -92.8 | 168.2 | 174.2 | 106.2 | -0.5 | 109.3 | D149 | D149-R151 WeakPolarHBondContact OD1-CD 3.46Å; D149-R151 IonicContact OD1-CZ 2.76Å; D149-R151 IonicContact OD1-NE 2.69Å; D149-R151 IonicContact OD1-NH1 3.71Å; D149-R151 PolarHBondContact OD1-NH1 3.4Å; D149-R151 IonicContact OD2-NH1 2.96Å; D149-R151 PolarHBondContact OD2-NH1 3.28Å | ||
| 152 | D | 36.7 | Very low | 38.8 | Very low | 120 Ų | 120 | 152.9 Ų | 152.9 | 64% | 0.642 | 78% | 0.781 | S | S | * | * | trans | 74.3 | 128.3 | 164.9 | -39.8 | -48.5 | 0 | 0 | 0 | 112.7 | ||||
| 153 | D | 40.1 | Very low | 39.1 | Very low | 139 Ų | 139 | 149.2 Ų | 149.2 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | cis | -160 | 126.8 | 49 | -81.6 | -93.8 | 0 | 0 | 0 | 113.5 | ||||
| 154 | F | 41.3 | Very low | 39.3 | Very low | 180 Ų | 180 | 145 Ų | 145 | 79% | 0.789 | 78% | 0.78 | S | S | * | * | trans | 42.9 | 86.5 | 132.4 | -59.8 | -93 | 0 | 0 | 0 | 121.5 | ||||
| 155 | N | 44.5 | Very low | 39.2 | Very low | 164 Ų | 164 | 143.4 Ų | 143.4 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | trans | -169 | 72.9 | 133.2 | -146.9 | -79.8 | 0 | 0 | 0 | 113.7 | ||||
| 156 | S | 38.8 | Very low | 39.3 | Very low | 116 Ų | 116 | 144.2 Ų | 144.2 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -152.7 | 66 | 163.6 | 65.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 157 | G | 43.8 | Very low | 39.4 | Very low | 64 Ų | 64 | 144 Ų | 144 | 66% | 0.66 | 78% | 0.783 | S | S | * | * | trans | -68.4 | 146.2 | 145.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 158 | F | 39.3 | Very low | 39.3 | Very low | 210 Ų | 210 | 144.6 Ų | 144.6 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | 91.2 | 79.8 | -175.5 | -62.2 | -84.3 | 0 | 0 | 0 | 116.3 | ||||
| 159 | R | 37.5 | Very low | 39.6 | Very low | 209 Ų | 209 | 138.7 Ų | 138.7 | 79% | 0.789 | 79% | 0.786 | S | S | * | * | 171.6 | 92.8 | 112.3 | -108.1 | -80.6 | -167.8 | 167.1 | -0.8 | 110.1 | |||||
| 160 | D | 37.3 | Very low | 39.3 | Very low | 132 Ų | 132 | 144.7 Ų | 144.7 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | -66.3 | 152.2 | 151.6 | -67.1 | -89.1 | 0 | 0 | 0 | 110.7 | ||||
| 161 | D | 42.9 | Very low | 39.6 | Very low | 139 Ų | 139 | 145.4 Ų | 145.4 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | trans | 72.8 | 62.5 | 149.6 | -52 | -46.5 | 0 | 0 | 0 | 121.3 | ||||
| 162 | F | 38.8 | Very low | 39.7 | Very low | 177 Ų | 177 | 140.6 Ų | 140.6 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -153.6 | 105.1 | 142.2 | -140 | -112.4 | 0 | 0 | 0 | 112.4 | ||
| 163 | L | 43.2 | Very low | 39.7 | Very low | 151 Ų | 151 | 142.1 Ų | 142.1 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | S | Bend | trans | 73.4 | 94.5 | 162.8 | -82.1 | 53.5 | 0 | 0 | 0 | 117.6 | ||
| 164 | G | 40 | Very low | 40 | Very low | 81 Ų | 81 | 147 Ų | 147 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | trans | -171.2 | 26.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | R166 | G164-R166 PolarHBondContact O-N 3.12Š| ||
| 165 | G | 36.3 | Very low | 40.2 | Very low | 84 Ų | 84 | 149.1 Ų | 149.1 | 87% | 0.866 | 83% | 0.826 | S | S | * | * | trans | -87.5 | 100.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 166 | R | 38.9 | Very low | 40.3 | Very low | 252 Ų | 252 | 148.3 Ų | 148.3 | 95% | 0.951 | 83% | 0.827 | S | S | * | * | trans | -56.9 | 131.7 | 166 | 176.1 | -179 | -177.5 | 174.5 | 0.3 | 112.4 | G164 | G164-R166 PolarHBondContact O-N 3.12Š| ||
| 167 | G | 37.4 | Very low | 40.1 | Very low | 79 Ų | 79 | 146 Ų | 146 | 81% | 0.814 | 82% | 0.822 | S | S | * | * | trans | 106.4 | 124.3 | 147 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 168 | G | 34.8 | Very low | 40.4 | Very low | 75 Ų | 75 | 148.2 Ų | 148.2 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | 168.3 | 67.4 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | R170 | G168-R170 PolarHBondContact O-N 3.4Š| ||
| 169 | S | 40.6 | Very low | 40.9 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | trans | -58.1 | 123.6 | 160.4 | -57.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 170 | R | 34.1 | Very low | 41 | Very low | 244 Ų | 244 | 142.7 Ų | 142.7 | 92% | 0.921 | 82% | 0.824 | S | S | * | * | trans | -132.4 | 136.5 | 158.1 | -77.8 | -169.1 | 175.3 | 169.6 | 0 | 111.1 | G168 | G168-R170 PolarHBondContact O-N 3.4Š| ||
| 171 | P | 45.5 | Very low | 41.3 | Very low | 130 Ų | 130 | 139 Ų | 139 | 84% | 0.844 | 82% | 0.816 | S | S | * | * | trans | -98.2 | 150.5 | -165.3 | 38.7 | -32.3 | 0 | 0 | 0 | 112.2 | ||||
| 172 | G | 41 | Very low | 41.6 | Very low | 77 Ų | 77 | 138 Ų | 138 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | 89.2 | 97.5 | 158.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 173 | D | 38.2 | Very low | 42.1 | Very low | 153 Ų | 153 | 140.2 Ų | 140.2 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | -159.9 | 91.6 | 113.9 | -155.5 | -84.1 | 0 | 0 | 0 | 109.2 | R175 | D173-R175 PolarHBondContact OD1-N 3.06Š| |||
| 174 | R | 46.2 | Very low | 42.5 | Very low | 240 Ų | 240 | 143 Ų | 143 | 91% | 0.906 | 83% | 0.83 | S | S | * | * | trans | -98.7 | 113.6 | 149.5 | -73.5 | 178.6 | -177.1 | 158.4 | 0.7 | 102.9 | ||||
| 175 | R | 44.7 | Very low | 43.1 | Very low | 226 Ų | 226 | 149.9 Ų | 149.9 | 85% | 0.853 | 83% | 0.831 | S | S | * | * | -170.2 | 135.9 | 105.1 | -56.4 | -150 | -174.3 | -172.6 | 1.8 | 111.4 | D173 | D173-R175 PolarHBondContact OD1-N 3.06Š| |||
| 176 | T | 46.2 | Very low | 43.8 | Very low | 147 Ų | 147 | 153.7 Ų | 153.7 | 90% | 0.902 | 83% | 0.831 | S | S | * | * | trans | 131.2 | 94.5 | 139.4 | -49.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 177 | G | 36.1 | Very low | 44.2 | Very low | 68 Ų | 68 | 144.6 Ų | 144.6 | 70% | 0.701 | 82% | 0.816 | S | S | * | * | trans | 177.9 | 128.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 178 | P | 50.4 | Low | 45.2 | Very low | 109 Ų | 109 | 146.6 Ų | 146.6 | 71% | 0.708 | 81% | 0.814 | S | S | * | * | trans | -72.5 | 157.9 | -175.5 | 30 | -32.4 | 0 | 0 | 0 | 112.1 | M180 | P178-M180 PolarHBondContact O-N 2.96Š| ||
| 179 | P | 48.1 | Very low | 46 | Very low | 130 Ų | 130 | 148.9 Ų | 148.9 | 84% | 0.844 | 82% | 0.816 | S | S | * | * | trans | -73.8 | 96.9 | -174.9 | 30.9 | -33 | 0 | 0 | 0 | 110.1 | G181 | P179-G181 PolarHBondContact O-N 3.45Š| ||
| 180 | M | 41.5 | Very low | 46.5 | Very low | 174 Ų | 174 | 151 Ų | 151 | 86% | 0.857 | 82% | 0.816 | S | S | * | * | trans | -77.1 | 93.3 | 173.6 | -89.6 | -71.4 | -177.3 | 0 | 0 | 110.2 | P178 | P178-M180 PolarHBondContact O-N 2.96Š| ||
| 181 | G | 42.4 | Very low | 47.3 | Very low | 53 Ų | 53 | 148.7 Ų | 148.7 | 55% | 0.546 | 81% | 0.807 | S | S | . | * | trans | 42.2 | 97.9 | 136.2 | 0 | 0 | 0 | 0 | 0 | 117 | P179 R183 | P179-G181 PolarHBondContact O-N 3.45Å; G181-R183 VanDerWaalsContact C-N 3.26Å; G181-R183 PolarHBondContact O-N 2.77Å | ||
| 182 | S | 49.1 | Very low | 47.1 | Very low | 119 Ų | 119 | 145.1 Ų | 145.1 | 83% | 0.832 | 80% | 0.795 | S | S | * | * | trans | -51.1 | 88.6 | 152.5 | -51.1 | 0 | 0 | 0 | 0 | 110.4 | F184 | S182-F184 PolarHBondContact O-N 2.81Š| ||
| 183 | R | 49.4 | Very low | 47.7 | Very low | 223 Ų | 223 | 147.4 Ų | 147.4 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | trans | -80.2 | 55.4 | 169.3 | -70.7 | -174.2 | -170.5 | -178 | 2.7 | 111 | G181 | G181-R183 VanDerWaalsContact C-N 3.26Å; G181-R183 PolarHBondContact O-N 2.77Å | ||
| 184 | F | 51.3 | Low | 48.2 | Very low | 210 Ų | 210 | 146.5 Ų | 146.5 | 92% | 0.921 | 79% | 0.793 | S | S | * | * | trans | -132.1 | 63.9 | 163.3 | -71.3 | -77.3 | 0 | 0 | 0 | 107.8 | S182 | S182-F184 PolarHBondContact O-N 2.81Š| ||
| 185 | R | 53.4 | Low | 48.3 | Very low | 226 Ų | 226 | 141.8 Ų | 141.8 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -120.1 | 138.8 | 161.3 | -161.9 | 156.4 | -162.1 | 157.5 | 4.7 | 105.6 | ||||
| 186 | D | 50.3 | Low | 48.7 | Very low | 163 Ų | 163 | 137.5 Ų | 137.5 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | trans | 97.5 | 41.3 | -176.1 | -47.4 | -46.2 | 0 | 0 | 0 | 117.7 | ||||
| 187 | G | 47.7 | Very low | 49.2 | Very low | 61 Ų | 61 | 138.6 Ų | 138.6 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -106.2 | 143.4 | 142.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 188 | P | 57.8 | Low | 50.8 | Low | 121 Ų | 121 | 145 Ų | 145 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | -58.6 | 144.2 | 179.3 | 25.2 | -32.4 | 0 | 0 | 0 | 109.7 | L190 | P188-L190 PolarHBondContact O-N 2.71Š| ||
| 189 | P | 51.5 | Low | 51.6 | Low | 124 Ų | 124 | 147.1 Ų | 147.1 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | trans | -58.9 | 128.1 | -177.3 | 24.4 | -32.4 | 0 | 0 | 0 | 109.3 | R191 | P189-R191 PolarHBondContact O-N 2.72Š| ||
| 190 | L | 52.4 | Low | 52.5 | Low | 174 Ų | 174 | 143 Ų | 143 | 91% | 0.911 | 75% | 0.747 | S | S | * | * | trans | -54.3 | 109.1 | 168.5 | -71.8 | 165.4 | 0 | 0 | 0 | 107.2 | P188 G192 | P188-L190 PolarHBondContact O-N 2.71Å; L190-G192 PolarHBondContact O-N 2.71Å | ||
| 191 | R | 49.9 | Very low | 54.1 | Low | 194 Ų | 194 | 137.9 Ų | 137.9 | 73% | 0.732 | 73% | 0.725 | S | S | * | * | trans | -55.4 | 110.5 | 179.7 | -161.2 | -178.2 | -144.1 | -162.1 | 4.1 | 107.5 | P189 M195 | P189-R191 PolarHBondContact O-N 2.72Å; R191-M195 PolarHBondContact NH1-SD 2.74Å | ||
| 192 | G | 41.3 | Very low | 55.3 | Low | 56 Ų | 56 | 143.5 Ų | 143.5 | 58% | 0.577 | 74% | 0.737 | S | S | * | * | trans | -53.5 | 153.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L190 N194 | L190-G192 PolarHBondContact O-N 2.71Å; G192-N194 PolarHBondContact O-N 3.04Å | ||
| 193 | S | 53.4 | Low | 56.2 | Low | 124 Ų | 124 | 145 Ų | 145 | 87% | 0.867 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -57.7 | 75 | 174.5 | -50.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 194 | N | 49 | Very low | 57.1 | Low | 134 Ų | 134 | 139.3 Ų | 139.3 | 72% | 0.717 | 71% | 0.714 | S | S | * | * | trans | -174 | 82.3 | 159.3 | -86.3 | -20.8 | 0 | 0 | 0 | 107.3 | G192 D196 | G192-N194 PolarHBondContact O-N 3.04Å; N194-D196 VanDerWaalsContact C-N 3.29Å; N194-D196 PolarHBondContact O-N 2.88Å | ||
| 195 | M | 47.5 | Very low | 57.8 | Low | 141 Ų | 141 | 137.4 Ų | 137.4 | 70% | 0.695 | 70% | 0.701 | S | S | * | * | trans | -79.3 | 92.8 | 151.4 | -64.3 | -156.1 | -156 | 0 | 0 | 105.7 | R191 F197 | R191-M195 PolarHBondContact NH1-SD 2.74Å; M195-F197 PolarHBondContact O-N 3.46Å | ||
| 196 | D | 54.8 | Low | 58.7 | Low | 137 Ų | 137 | 129.7 Ų | 129.7 | 73% | 0.733 | 69% | 0.686 | S | S | * | * | trans | -62.2 | 93.6 | 160.2 | -72.4 | -72 | 0 | 0 | 0 | 106.9 | N194 R198 | N194-D196 VanDerWaalsContact C-N 3.29Å; N194-D196 PolarHBondContact O-N 2.88Å; D196-R198 PolarHBondContact O-N 2.7Å | ||
| 197 | F | 56.7 | Low | 59.8 | Low | 170 Ų | 170 | 129.7 Ų | 129.7 | 75% | 0.746 | 68% | 0.68 | S | S | * | * | trans | -59.3 | 93.7 | 159.7 | 176 | -102.4 | 0 | 0 | 0 | 106.1 | M195 E199 | M195-F197 PolarHBondContact O-N 3.46Å; F197-E199 HydrophobicContact CD1-CG 3.95Å; F197-E199 HydrophobicContact CE1-CG 3.8Å; F197-E199 PolarHBondContact O-N 2.64Å | ||
| 198 | R | 70 | Confident | 60.9 | Low | 203 Ų | 203 | 134.7 Ų | 134.7 | 77% | 0.766 | 68% | 0.68 | S | S | * | * | trans | -68 | 104.7 | 174.5 | -175.7 | 174.4 | 179.8 | 175.4 | -0.8 | 107 | D196 | D196-R198 PolarHBondContact O-N 2.7Š| ||
| 199 | E | 66.3 | Low | 61.8 | Low | 153 Ų | 153 | 135.1 Ų | 135.1 | 72% | 0.715 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 124.9 | 170.6 | -72.7 | -166 | 134.8 | 0 | 0 | 108.5 | F197 T201 | F197-E199 HydrophobicContact CD1-CG 3.95Å; F197-E199 HydrophobicContact CE1-CG 3.8Å; F197-E199 PolarHBondContact O-N 2.64Å; E199-T201 PolarHBondContact O-N 3.02Å |
| 200 | P | 66.8 | Low | 63 | Low | 44 Ų | 44 | 139.2 Ų | 139.2 | 29% | 0.286 | 68% | 0.682 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 131.6 | 179.3 | 23.8 | -30.9 | 0 | 0 | 0 | 108.9 | E204 R205 | P200-E204 HydrophobicContact CB-CB 4.43Å; P200-R205 HydrophobicContact CB-CG 4.38Å; P200-R205 HydrophobicContact CG-CG 4.24Å |
| 201 | T | 76.1 | Confident | 64 | Low | 65 Ų | 65 | 137.9 Ų | 137.9 | 40% | 0.399 | 68% | 0.675 | S | S | . | * | P | Polyproline II helix | trans | -62 | 155.9 | -177.7 | 55.8 | 0 | 0 | 0 | 0 | 110.4 | E199 E203 E204 R205 | E199-T201 PolarHBondContact O-N 3.02Å; T201-E203 PolarHBondContact O-N 2.79Å; T201-E204 PolarHBondContact O-N 3.42Å; T201-R205 PolarHBondContact O-N 2.74Å |
| 202 | E | 67 | Low | 65.2 | Low | 172 Ų | 172 | 137.3 Ų | 137.3 | 80% | 0.804 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -56 | -29.5 | -175.8 | -159.7 | 166.1 | 139.2 | 0 | 0 | 112.5 | R205 A206 | E202-R205 PolarHBondContact O-N 2.98Å; E202-A206 WeakPolarHBondContact O-CB 3.1Å; E202-A206 PolarHBondContact O-N 3.02Å |
| 203 | E | 67.6 | Low | 66.6 | Low | 150 Ų | 150 | 141.7 Ų | 141.7 | 70% | 0.701 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -67.9 | -41.3 | 176.3 | -55.8 | -179.4 | 149.9 | 0 | 0 | 112.7 | T201 R205 A206 Q207 | T201-E203 PolarHBondContact O-N 2.79Å; E203-R205 VanDerWaalsContact C-N 3.34Å; E203-A206 PolarHBondContact O-N 2.97Å; E203-Q207 PolarHBondContact O-N 3.49Å |
| 204 | E | 68.5 | Low | 67.9 | Low | 104 Ų | 104 | 144.9 Ų | 144.9 | 49% | 0.486 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -72.3 | -28.5 | 175.8 | -75.2 | -171.9 | 103.3 | 0 | 0 | 112.1 | P200 T201 | P200-E204 HydrophobicContact CB-CB 4.43Å; T201-E204 PolarHBondContact O-N 3.42Å |
| 205 | R | 67.1 | Low | 69.2 | Low | 169 Ų | 169 | 144.1 Ų | 144.1 | 64% | 0.638 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -73 | -32 | 173.9 | -62.8 | 178.9 | 97.5 | -179.5 | 8.7 | 111.5 | P200 T201 E202 E203 | P200-R205 HydrophobicContact CB-CG 4.38Å; P200-R205 HydrophobicContact CG-CG 4.24Å; T201-R205 PolarHBondContact O-N 2.74Å; E202-R205 PolarHBondContact O-N 2.98Å; E203-R205 VanDerWaalsContact C-N 3.34Å |
| 206 | A | 70.3 | Confident | 69.7 | Low | 65 Ų | 65 | 147.8 Ų | 147.8 | 54% | 0.537 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -73.3 | -26 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | E202 E203 R208 | E202-A206 WeakPolarHBondContact O-CB 3.1Å; E202-A206 PolarHBondContact O-N 3.02Å; E203-A206 PolarHBondContact O-N 2.97Å; A206-R208 VanDerWaalsContact C-N 3.31Å |
| 207 | Q | 74.4 | Confident | 70.3 | Confident | 163 Ų | 163 | 148.1 Ų | 148.1 | 76% | 0.762 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -8.7 | 177 | -72.7 | 176.7 | 7.6 | 0 | 0 | 114.1 | E203 | E203-Q207 PolarHBondContact O-N 3.49Š|
| 208 | R | 70.3 | Confident | 70.7 | Confident | 166 Ų | 166 | 144.1 Ų | 144.1 | 63% | 0.626 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -73.9 | 132.5 | 173.9 | -65.3 | -177.2 | 177.6 | -156.4 | -2.1 | 109.8 | A206 R210 | A206-R208 VanDerWaalsContact C-N 3.31Å; R208-R210 PolarHBondContact O-N 2.84Å |
| 209 | P | 78 | Confident | 70.3 | Confident | 130 Ų | 130 | 139.2 Ų | 139.2 | 84% | 0.844 | 70% | 0.697 | S | S | * | * | trans | -59.9 | 112.6 | 179.6 | 24.2 | -32.9 | 0 | 0 | 0 | 109.8 | L211 | P209-L211 PolarHBondContact O-N 2.78Š| ||
| 210 | R | 75.1 | Confident | 70.4 | Confident | 209 Ų | 209 | 136.1 Ų | 136.1 | 79% | 0.789 | 69% | 0.688 | S | S | * | * | trans | -75.9 | 116.2 | -178.6 | -60.8 | -178.7 | 86 | 118.8 | -2.7 | 108.7 | R208 Q212 | R208-R210 PolarHBondContact O-N 2.84Å; R210-Q212 PolarHBondContact O-N 2.89Å; R210-Q212 VanDerWaalsContact O-N 3.14Å | ||
| 211 | L | 75 | Confident | 70.1 | Confident | 146 Ų | 146 | 138.7 Ų | 138.7 | 76% | 0.764 | 71% | 0.705 | S | S | * | * | trans | -63.3 | 112.7 | 174.3 | -175.3 | 67.3 | 0 | 0 | 0 | 109.2 | P209 L213 | P209-L211 PolarHBondContact O-N 2.78Å; L211-L213 HydrophobicContact CD2-CD1 4.15Å; L211-L213 HydrophobicContact CD2-CG 4.47Å; L211-L213 HydrophobicContact CG-CD1 4.25Å; L211-L213 PolarHBondContact O-N 2.66Å; L211-L213 VanDerWaalsContact O-N 3.1Å | ||
| 212 | Q | 74.1 | Confident | 69.2 | Low | 183 Ų | 183 | 144.2 Ų | 144.2 | 86% | 0.855 | 73% | 0.731 | S | S | * | * | trans | -78.7 | 92.3 | 175.8 | -64.1 | -175.8 | 9.8 | 0 | 0 | 109 | R210 K214 | R210-Q212 PolarHBondContact O-N 2.89Å; R210-Q212 VanDerWaalsContact O-N 3.14Å; Q212-K214 PolarHBondContact O-N 3.31Å | ||
| 213 | L | 70.8 | Confident | 68.8 | Low | 147 Ų | 147 | 143.7 Ų | 143.7 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 122.2 | 171.8 | -74.5 | 100.5 | 0 | 0 | 0 | 109.2 | L211 | L211-L213 HydrophobicContact CD2-CD1 4.15Å; L211-L213 HydrophobicContact CD2-CG 4.47Å; L211-L213 HydrophobicContact CG-CD1 4.25Å; L211-L213 PolarHBondContact O-N 2.66Å; L211-L213 VanDerWaalsContact O-N 3.1Å |
| 214 | K | 81.3 | Confident | 68.5 | Low | 192 Ų | 192 | 143.5 Ų | 143.5 | 84% | 0.835 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 144.7 | 167.9 | -66 | 179.5 | -179.4 | 177.9 | 0 | 108.8 | Q212 R216 | Q212-K214 PolarHBondContact O-N 3.31Å; K214-R216 PolarHBondContact O-N 3.01Å |
| 215 | P | 75.1 | Confident | 68.2 | Low | 118 Ų | 118 | 145 Ų | 145 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 135.1 | 178 | 24.4 | -33.4 | 0 | 0 | 0 | 109.5 | T217 | P215-T217 PolarHBondContact O-N 3.41Š|
| 216 | R | 59.8 | Low | 67.9 | Low | 218 Ų | 218 | 140.8 Ų | 140.8 | 82% | 0.823 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 129 | 174.2 | 56 | -178.1 | 179 | 173.9 | 1.2 | 109.8 | K214 V218 | K214-R216 PolarHBondContact O-N 3.01Å; R216-V218 PolarHBondContact O-N 2.66Å |
| 217 | T | 66.3 | Low | 67.5 | Low | 143 Ų | 143 | 143.7 Ų | 143.7 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -79.3 | -0.2 | -178.9 | 48.7 | 0 | 0 | 0 | 0 | 113.3 | P215 | P215-T217 PolarHBondContact O-N 3.41Š|
| 218 | V | 65.8 | Low | 67 | Low | 87 Ų | 87 | 141.4 Ų | 141.4 | 53% | 0.527 | 76% | 0.756 | S | S | . | * | trans | -118.8 | 113.4 | -179.6 | -173.9 | 0 | 0 | 0 | 0 | 108.8 | R216 T220 | R216-V218 PolarHBondContact O-N 2.66Å; V218-T220 VanDerWaalsContact CG1-OG1 3.24Å; V218-T220 WeakPolarHBondContact CG1-OG1 3.05Å | ||
| 219 | A | 61.8 | Low | 66.6 | Low | 100 Ų | 100 | 141.1 Ų | 141.1 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | trans | -88.6 | -0.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 220 | T | 66.6 | Low | 66 | Low | 88 Ų | 88 | 138.4 Ų | 138.4 | 54% | 0.54 | 75% | 0.751 | S | S | . | * | S | Bend | trans | -90 | 138.7 | -175.2 | 43.4 | 0 | 0 | 0 | 0 | 112.7 | V218 | V218-T220 VanDerWaalsContact CG1-OG1 3.24Å; V218-T220 WeakPolarHBondContact CG1-OG1 3.05Å |
| 221 | P | 61.4 | Low | 65.4 | Low | 97 Ų | 97 | 132.5 Ų | 132.5 | 63% | 0.63 | 75% | 0.747 | S | S | * | * | trans | -72.7 | 145.7 | 179.1 | 29.3 | -33.6 | 0 | 0 | 0 | 112 | N223 | P221-N223 PolarHBondContact O-N 3.43Š| ||
| 222 | L | 56.3 | Low | 64.8 | Low | 182 Ų | 182 | 132.8 Ų | 132.8 | 95% | 0.953 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | 11.4 | -167.7 | -153.9 | 82.3 | 0 | 0 | 0 | 116.6 | ||
| 223 | N | 60.1 | Low | 64.2 | Low | 160 Ų | 160 | 132.6 Ų | 132.6 | 86% | 0.856 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138 | 27.6 | -172.4 | -112.5 | 2.3 | 0 | 0 | 0 | 114 | P221 V225 | P221-N223 PolarHBondContact O-N 3.43Å; N223-V225 PolarHBondContact O-N 2.79Å |
| 224 | Q | 60.6 | Low | 63.8 | Low | 147 Ų | 147 | 128.7 Ų | 128.7 | 69% | 0.687 | 74% | 0.739 | S | S | * | * | trans | -81 | 114.7 | 161.5 | -91.7 | 175.4 | -9.4 | 0 | 0 | 108.9 | A226 | Q224-A226 PolarHBondContact O-N 2.76Å; Q224-A226 VanDerWaalsContact O-N 3.12Å | ||
| 225 | V | 61.5 | Low | 63.1 | Low | 134 Ų | 134 | 123.6 Ų | 123.6 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 118.8 | 168.2 | -170.3 | 0 | 0 | 0 | 0 | 107.4 | N223 N227 | N223-V225 PolarHBondContact O-N 2.79Å; V225-N227 PolarHBondContact O-N 3.12Å |
| 226 | A | 61.3 | Low | 62.4 | Low | 81 Ų | 81 | 122.4 Ų | 122.4 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 131.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q224 P228 | Q224-A226 PolarHBondContact O-N 2.76Å; Q224-A226 VanDerWaalsContact O-N 3.12Å; A226-P228 WeakPolarHBondContact O-CD 3.42Å; A226-P228 VanDerWaalsContact O-N 3.07Å |
| 227 | N | 61.8 | Low | 62.6 | Low | 126 Ų | 126 | 123.2 Ų | 123.2 | 67% | 0.674 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -52.5 | 116.9 | -179.1 | -105.2 | -31.6 | 0 | 0 | 0 | 109.7 | V225 N229 S230 | V225-N227 PolarHBondContact O-N 3.12Å; N227-N229 PolarHBondContact O-N 3.33Å; N227-S230 PolarHBondContact O-N 2.94Å; N227-S230 VanDerWaalsContact O-N 3.13Å; N227-S230 PolarHBondContact O-OG 2.73Å |
| 228 | P | 64.9 | Low | 62.4 | Low | 116 Ų | 116 | 122.1 Ų | 122.1 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -11 | -175.4 | 27.6 | -35.1 | 0 | 0 | 0 | 113 | A226 | A226-P228 WeakPolarHBondContact O-CD 3.42Å; A226-P228 VanDerWaalsContact O-N 3.07Å |
| 229 | N | 60.5 | Low | 62.4 | Low | 160 Ų | 160 | 129 Ų | 129 | 86% | 0.856 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | 4 | 177.6 | -73.5 | -31.7 | 0 | 0 | 0 | 114.2 | N227 | N227-N229 PolarHBondContact O-N 3.33Š|
| 230 | S | 65.4 | Low | 62.6 | Low | 73 Ų | 73 | 133 Ų | 133 | 51% | 0.51 | 76% | 0.758 | S | S | . | * | S | Bend | trans | -89.9 | 118.6 | 172.4 | 59.3 | 0 | 0 | 0 | 0 | 109.9 | N227 I232 | N227-S230 PolarHBondContact O-N 2.94Å; N227-S230 VanDerWaalsContact O-N 3.13Å; N227-S230 PolarHBondContact O-OG 2.73Å; S230-I232 PolarHBondContact O-N 3.11Å; S230-I232 VanDerWaalsContact O-N 3.12Å |
| 231 | A | 63.5 | Low | 62.3 | Low | 84 Ų | 84 | 137.1 Ų | 137.1 | 69% | 0.694 | 77% | 0.771 | S | S | * | * | trans | -60.7 | 115.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | F233 | A231-F233 PolarHBondContact O-N 3.06Š| ||
| 232 | I | 62.8 | Low | 62.3 | Low | 152 Ų | 152 | 138.7 Ų | 138.7 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -62.5 | -26.2 | -177.7 | -68.5 | -169.3 | 0 | 0 | 0 | 111.9 | S230 | S230-I232 PolarHBondContact O-N 3.11Å; S230-I232 VanDerWaalsContact O-N 3.12Å |
| 233 | F | 60.8 | Low | 62.4 | Low | 180 Ų | 180 | 136 Ų | 136 | 79% | 0.789 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -109.6 | 115.7 | 171 | -62.6 | -84.2 | 0 | 0 | 0 | 107.9 | A231 | A231-F233 PolarHBondContact O-N 3.06Š|
| 234 | G | 62.3 | Low | 62.3 | Low | 65 Ų | 65 | 136 Ų | 136 | 67% | 0.67 | 76% | 0.764 | S | S | * | * | trans | -52.3 | 146 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | A236 | G234-A236 PolarHBondContact O-N 3.18Š| ||
| 235 | G | 66.1 | Low | 62 | Low | 84 Ų | 84 | 138 Ų | 138 | 87% | 0.866 | 77% | 0.771 | S | S | * | * | trans | -63.6 | 59 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 236 | A | 59.8 | Low | 61.6 | Low | 93 Ų | 93 | 140 Ų | 140 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -74 | 121.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | G234 | G234-A236 PolarHBondContact O-N 3.18Š|
| 237 | R | 64 | Low | 60.9 | Low | 236 Ų | 236 | 144.9 Ų | 144.9 | 89% | 0.891 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 137.9 | 173.5 | -59.6 | -177.8 | -167.8 | -176.5 | 2.9 | 109.1 | ||
| 238 | P | 64 | Low | 60.1 | Low | 120 Ų | 120 | 151.8 Ų | 151.8 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 138.9 | 172.1 | 26.5 | -31.9 | 0 | 0 | 0 | 109.7 | E240 | P238-E240 PolarHBondContact O-N 3.13Š|
| 239 | R | 65.1 | Low | 59.8 | Low | 232 Ų | 232 | 153.6 Ų | 153.6 | 88% | 0.875 | 81% | 0.811 | S | S | * | * | trans | -76 | 112 | 179.8 | -164.8 | -175.9 | -168.2 | -167.1 | 2.5 | 108.3 | E241 | R239-E241 PolarHBondContact O-N 2.96Š| ||
| 240 | E | 65.1 | Low | 59.8 | Low | 183 Ų | 183 | 153.2 Ų | 153.2 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | -69.3 | 114.5 | 170.3 | -67 | -177.9 | 133.9 | 0 | 0 | 108.7 | P238 | P238-E240 PolarHBondContact O-N 3.13Š| ||
| 241 | E | 61.8 | Low | 59.5 | Low | 174 Ų | 174 | 157.7 Ų | 157.7 | 81% | 0.813 | 83% | 0.825 | S | S | * | * | trans | -78.7 | 119.6 | 165.8 | -76.7 | -167.5 | 137.6 | 0 | 0 | 109 | R239 V243 | R239-E241 PolarHBondContact O-N 2.96Å; E241-V243 PolarHBondContact O-N 2.96Å | ||
| 242 | V | 59.6 | Low | 59.2 | Low | 130 Ų | 130 | 162 Ų | 162 | 79% | 0.788 | 83% | 0.833 | S | S | * | * | trans | -72.9 | 103.9 | 175.5 | 180 | 0 | 0 | 0 | 0 | 108.4 | Q244 | V242-Q244 PolarHBondContact O-N 3.46Å; V242-Q244 VanDerWaalsContact O-N 3.16Å | ||
| 243 | V | 59.5 | Low | 59 | Low | 127 Ų | 127 | 162.6 Ų | 162.6 | 77% | 0.77 | 84% | 0.836 | S | S | * | * | trans | -71.2 | 105.7 | 167 | 179.8 | 0 | 0 | 0 | 0 | 107.7 | E241 K245 | E241-V243 PolarHBondContact O-N 2.96Å; V243-K245 PolarHBondContact O-N 3.01Å; V243-K245 VanDerWaalsContact O-N 3.14Å | ||
| 244 | Q | 56.9 | Low | 58.9 | Low | 160 Ų | 160 | 161.5 Ų | 161.5 | 75% | 0.748 | 84% | 0.839 | S | S | * | * | trans | -66 | 109.2 | 169.4 | -69.7 | 179.3 | -7 | 0 | 0 | 108.6 | V242 | V242-Q244 PolarHBondContact O-N 3.46Å; V242-Q244 VanDerWaalsContact O-N 3.16Å | ||
| 245 | K | 54.8 | Low | 58.7 | Low | 189 Ų | 189 | 168.4 Ų | 168.4 | 82% | 0.822 | 85% | 0.851 | S | S | * | * | trans | -84.2 | 104.4 | 158.5 | -79.1 | -175.4 | 176.9 | -179.8 | 0 | 107.1 | V243 | V243-K245 PolarHBondContact O-N 3.01Å; V243-K245 VanDerWaalsContact O-N 3.14Å | ||
| 246 | E | 53 | Low | 58.1 | Low | 175 Ų | 175 | 174.8 Ų | 174.8 | 82% | 0.818 | 85% | 0.85 | S | S | * | * | trans | -98.9 | 115.9 | 157.8 | -74.6 | -172.1 | 101.1 | 0 | 0 | 108.3 | ||||
| 247 | Q | 47 | Very low | 57.9 | Low | 184 Ų | 184 | 181.7 Ų | 181.7 | 86% | 0.86 | 86% | 0.857 | S | S | * | * | trans | -81.7 | 125.2 | 159.6 | -65.6 | 170.4 | 10 | 0 | 0 | 106.4 | ||||
| 248 | E | 44.5 | Very low | 57.4 | Low | 270 Ų | 270 | 176.7 Ų | 176.7 | 100% | 1.262 | 85% | 0.854 | S | S | * | * | -173.2 | 0 | 122.5 | -165.5 | 159.9 | 86.5 | 0 | 0 | 109.6 |
Retrieved 248 of 248 residues in 628.6 ms
(Link to these results)