| 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 | 50.2 | Low | 60.7 | Low | 243 Ų | 243 | 155.1 Ų | 155.1 | 100% | 1.197 | 83% | 0.833 | S | S | * | * | 0 | 89.1 | 0 | -93.4 | 170.6 | 167.2 | 0 | 0 | 108.5 | |||||
| 2 | S | 59 | Low | 60.9 | Low | 105 Ų | 105 | 150.7 Ų | 150.7 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | trans | 158.6 | 91.2 | 151.1 | 54.8 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 3 | D | 59.6 | Low | 61.1 | Low | 150 Ų | 150 | 151.2 Ų | 151.2 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -69 | 145.5 | 176.2 | -59.3 | -56.5 | 0 | 0 | 0 | 111.1 | ||||
| 4 | Y | 72.2 | Confident | 60.8 | Low | 223 Ų | 223 | 152.9 Ų | 152.9 | 88% | 0.875 | 81% | 0.809 | S | S | * | * | trans | -119.4 | 108.3 | 157 | -88.3 | -88.2 | 0 | 0 | 0 | 107.3 | ||||
| 5 | V | 65.7 | Low | 60.4 | Low | 112 Ų | 112 | 151.9 Ų | 151.9 | 68% | 0.679 | 80% | 0.804 | S | S | * | * | trans | -111.7 | 126.9 | 167 | -178 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 6 | L | 64.5 | Low | 60.3 | Low | 166 Ų | 166 | 153.9 Ų | 153.9 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | trans | -132.9 | 92.6 | 172.8 | -120 | 152.9 | 0 | 0 | 0 | 106 | ||||
| 7 | D | 57.1 | Low | 59.7 | Low | 148 Ų | 148 | 157.4 Ų | 157.4 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | trans | -72.3 | 141.5 | 161.5 | -71 | -56.8 | 0 | 0 | 0 | 108.5 | ||||
| 8 | G | 60.9 | Low | 59.2 | Low | 67 Ų | 67 | 152.6 Ų | 152.6 | 69% | 0.691 | 81% | 0.811 | S | S | * | * | trans | -173.3 | 71.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 9 | D | 62.9 | Low | 58.7 | Low | 168 Ų | 168 | 151.4 Ų | 151.4 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | trans | 43.6 | 126.1 | 143.6 | -56.5 | -40.6 | 0 | 0 | 0 | 121.6 | ||||
| 10 | H | 53.4 | Low | 58.6 | Low | 152 Ų | 152 | 153.1 Ų | 153.1 | 70% | 0.704 | 81% | 0.808 | S | S | * | * | trans | -73 | 133.1 | 174.4 | 176.9 | 82 | 0 | 0 | 0 | 112.1 | V12 | H10-V12 WeakPolarHBondContact CE1-CG2 3.26Š| ||
| 11 | D | 62.1 | Low | 58 | Low | 172 Ų | 172 | 152.2 Ų | 152.2 | 92% | 0.92 | 80% | 0.803 | S | S | * | * | trans | -137.7 | 96.7 | 154.5 | -95 | -41.8 | 0 | 0 | 0 | 107.5 | ||||
| 12 | V | 63 | Low | 57.8 | Low | 102 Ų | 102 | 144.2 Ų | 144.2 | 62% | 0.618 | 78% | 0.784 | S | S | * | * | trans | -104.2 | 109.9 | 165.9 | 177.1 | 0 | 0 | 0 | 0 | 106.3 | H10 E14 | H10-V12 WeakPolarHBondContact CE1-CG2 3.26Å; V12-E14 PolarHBondContact O-N 2.94Å | ||
| 13 | H | 63.5 | Low | 57.2 | Low | 157 Ų | 157 | 148.5 Ų | 148.5 | 73% | 0.727 | 79% | 0.789 | S | S | * | * | trans | -78.9 | 113.1 | 174.7 | -157.9 | -43.2 | 0 | 0 | 0 | 108.6 | D15 | H13-D15 IonicContact CE1-OD1 3.1Å; H13-D15 PolarHBondContact CE1-OD1 3.39Å; H13-D15 IonicContact ND1-OD1 3.97Å; H13-D15 PolarHBondContact ND1-OD1 3.15Å | ||
| 14 | E | 56.9 | Low | 56.9 | Low | 175 Ų | 175 | 149.5 Ų | 149.5 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -75.6 | 125.1 | 165.5 | -62.1 | 179.9 | 162 | 0 | 0 | 108 | V12 | V12-E14 PolarHBondContact O-N 2.94Š| ||
| 15 | D | 55.3 | Low | 55.5 | Low | 138 Ų | 138 | 146.5 Ų | 146.5 | 74% | 0.738 | 79% | 0.788 | S | S | * | * | trans | -120.3 | 105.3 | 162.4 | -76.8 | -27.8 | 0 | 0 | 0 | 108.1 | H13 | H13-D15 IonicContact CE1-OD1 3.1Å; H13-D15 PolarHBondContact CE1-OD1 3.39Å; H13-D15 IonicContact ND1-OD1 3.97Å; H13-D15 PolarHBondContact ND1-OD1 3.15Å | ||
| 16 | E | 58.4 | Low | 54.9 | Low | 184 Ų | 184 | 146.5 Ų | 146.5 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -75.7 | 124.7 | 179.7 | -169.1 | -177.3 | -158.2 | 0 | 0 | 110.3 | ||||
| 17 | F | 51 | Low | 54.1 | Low | 213 Ų | 213 | 142 Ų | 142 | 93% | 0.934 | 77% | 0.771 | S | S | * | * | trans | -138.7 | 99.8 | 160.8 | -100.2 | -84.8 | 0 | 0 | 0 | 110.7 | ||||
| 18 | G | 49.6 | Very low | 53.9 | Low | 72 Ų | 72 | 140.5 Ų | 140.5 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | 73.7 | 92.9 | 123.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 19 | D | 51.1 | Low | 53.5 | Low | 129 Ų | 129 | 141.4 Ų | 141.4 | 69% | 0.69 | 76% | 0.759 | S | S | * | * | trans | -46.1 | 139 | 160.4 | 178 | 19.9 | 0 | 0 | 0 | 113.9 | N21 | D19-N21 PolarHBondContact OD1-N 3.09Å; D19-N21 VanDerWaalsContact OD1-N 3.16Å | ||
| 20 | E | 55 | Low | 53 | Low | 186 Ų | 186 | 138.2 Ų | 138.2 | 87% | 0.869 | 74% | 0.741 | S | S | * | * | trans | -161 | 94.8 | 135.3 | -108 | 174.3 | -152.4 | 0 | 0 | 111.6 | ||||
| 21 | N | 47.3 | Very low | 53 | Low | 134 Ų | 134 | 138.3 Ų | 138.3 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | trans | 28.4 | 115.2 | 140.1 | -71.1 | -69.7 | 0 | 0 | 0 | 120.3 | D19 | D19-N21 PolarHBondContact OD1-N 3.09Å; D19-N21 VanDerWaalsContact OD1-N 3.16Å | ||
| 22 | G | 45.3 | Very low | 52.7 | Low | 76 Ų | 76 | 136.4 Ų | 136.4 | 78% | 0.784 | 73% | 0.73 | S | S | * | * | trans | -167.8 | 79.7 | 160.9 | 0 | 0 | 0 | 0 | 0 | 112 | E24 | G22-E24 PolarHBondContact O-N 2.69Š| ||
| 23 | K | 45.8 | Very low | 52.5 | Low | 194 Ų | 194 | 137 Ų | 137 | 84% | 0.843 | 73% | 0.725 | S | S | * | * | trans | -56 | 124.7 | 166.9 | -76.6 | 174.2 | 171.5 | 109.8 | 0 | 109.2 | ||||
| 24 | E | 53.1 | Low | 52.5 | Low | 171 Ų | 171 | 136 Ų | 136 | 80% | 0.799 | 72% | 0.719 | S | S | * | * | trans | -168.9 | 93.1 | 158.2 | -104.1 | 158.6 | -132.6 | 0 | 0 | 109.7 | G22 V26 | G22-E24 PolarHBondContact O-N 2.69Å; E24-V26 PolarHBondContact O-N 2.8Å | ||
| 25 | D | 44.1 | Very low | 53.5 | Low | 160 Ų | 160 | 132.5 Ų | 132.5 | 86% | 0.856 | 71% | 0.706 | S | S | * | * | trans | 34.1 | 70.9 | 140.1 | -48.8 | -26.2 | 0 | 0 | 0 | 118.8 | S27 | D25-S27 PolarHBondContact O-N 2.68Š| ||
| 26 | V | 52.8 | Low | 54.6 | Low | 112 Ų | 112 | 128.7 Ų | 128.7 | 68% | 0.679 | 69% | 0.693 | S | S | * | * | trans | -87.7 | 90.6 | 166.3 | -171.1 | 0 | 0 | 0 | 0 | 109.1 | E24 D30 | E24-V26 PolarHBondContact O-N 2.8Å; V26-D30 HydrophobicContact CG1-CB 3.91Å; V26-D30 WeakPolarHBondContact CG1-OD2 3.25Å | ||
| 27 | S | 48.5 | Very low | 55.4 | Low | 72 Ų | 72 | 124.6 Ų | 124.6 | 50% | 0.503 | 67% | 0.674 | S | S | . | * | trans | -52.6 | 150.1 | 177.3 | 46 | 0 | 0 | 0 | 0 | 113.1 | D25 T29 D30 | D25-S27 PolarHBondContact O-N 2.68Å; S27-T29 PolarHBondContact O-N 3.13Å; S27-T29 PolarHBondContact O-OG1 3.1Å; S27-T29 PolarHBondContact OG-OG1 2.8Å; S27-D30 PolarHBondContact O-N 3.12Å; S27-D30 VanDerWaalsContact O-N 3.15Å | ||
| 28 | V | 52.8 | Low | 56.7 | Low | 116 Ų | 116 | 117.7 Ų | 117.7 | 70% | 0.703 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -29.6 | -17.2 | 167.9 | 179.8 | 0 | 0 | 0 | 0 | 116.7 | M32 | V28-M32 WeakPolarHBondContact O-CG 3.46Å; V28-M32 PolarHBondContact O-N 3.36Å |
| 29 | T | 51.5 | Low | 58.4 | Low | 86 Ų | 86 | 121 Ų | 121 | 53% | 0.528 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -63.2 | -33.4 | 174.1 | 49.7 | 0 | 0 | 0 | 0 | 114.8 | S27 H33 | S27-T29 PolarHBondContact O-N 3.13Å; S27-T29 PolarHBondContact O-OG1 3.1Å; S27-T29 PolarHBondContact OG-OG1 2.8Å; T29-H33 PolarHBondContact O-N 3.21Å; T29-H33 VanDerWaalsContact O-N 3.17Å |
| 30 | D | 52.3 | Low | 60.1 | Low | 101 Ų | 101 | 117.5 Ų | 117.5 | 54% | 0.54 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -78.8 | -33.2 | -178.3 | -92.2 | 0.8 | 0 | 0 | 0 | 113 | V26 S27 M32 H33 F34 | V26-D30 HydrophobicContact CG1-CB 3.91Å; V26-D30 WeakPolarHBondContact CG1-OD2 3.25Å; S27-D30 PolarHBondContact O-N 3.12Å; S27-D30 VanDerWaalsContact O-N 3.15Å; D30-M32 VanDerWaalsContact C-N 3.35Å; D30-H33 WeakPolarHBondContact O-CB 3.3Å; D30-H33 PolarHBondContact O-N 3.3Å; D30-F34 PolarHBondContact O-N 3.34Å |
| 31 | E | 53.4 | Low | 61.4 | Low | 154 Ų | 154 | 114 Ų | 114 | 72% | 0.72 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67.8 | -37.9 | 171.9 | -67.3 | -155.2 | 161.9 | 0 | 0 | 111.3 | H33 F34 D35 | E31-H33 PolarHBondContact O-N 3.17Å; E31-F34 PolarHBondContact O-N 3.39Å; E31-D35 WeakPolarHBondContact O-CB 3.28Å; E31-D35 PolarHBondContact O-N 3.49Å |
| 32 | M | 56.3 | Low | 63.3 | Low | 133 Ų | 133 | 113.9 Ų | 113.9 | 66% | 0.655 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -63.3 | -30 | 172.3 | -71.1 | -174.9 | 60.9 | 0 | 0 | 112.8 | V28 D30 A36 | V28-M32 WeakPolarHBondContact O-CG 3.46Å; V28-M32 PolarHBondContact O-N 3.36Å; D30-M32 VanDerWaalsContact C-N 3.35Å; M32-A36 WeakPolarHBondContact O-CB 3.21Å; M32-A36 PolarHBondContact O-N 2.64Å |
| 33 | H | 58.9 | Low | 65.4 | Low | 113 Ų | 113 | 116 Ų | 116 | 52% | 0.523 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -74.6 | -41.3 | 176.6 | -161.2 | -80 | 0 | 0 | 0 | 111.6 | T29 D30 E31 A36 E37 | T29-H33 PolarHBondContact O-N 3.21Å; T29-H33 VanDerWaalsContact O-N 3.17Å; D30-H33 WeakPolarHBondContact O-CB 3.3Å; D30-H33 PolarHBondContact O-N 3.3Å; E31-H33 PolarHBondContact O-N 3.17Å; H33-A36 PolarHBondContact O-N 2.84Å; H33-E37 IonicContact CE1-OE1 2.96Å; H33-E37 PolarHBondContact CE1-OE1 3.47Å; H33-E37 IonicContact ND1-OE1 3.09Å; H33-E37 PolarHBondContact ND1-OE1 3.2Å; H33-E37 VanDerWaalsContact ND1-OE1 3.09Å; H33-E37 WeakPolarHBondContact O-CG 3.47Å; H33-E37 PolarHBondContact O-N 3.46Å |
| 34 | F | 63.9 | Low | 67.2 | Low | 138 Ų | 138 | 115.1 Ų | 115.1 | 61% | 0.605 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -67.5 | -40.2 | 176.9 | -169.5 | -97.5 | 0 | 0 | 0 | 112.5 | D30 E31 E37 L38 | D30-F34 PolarHBondContact O-N 3.34Å; E31-F34 PolarHBondContact O-N 3.39Å; F34-E37 PolarHBondContact O-N 3.25Å; F34-L38 WeakPolarHBondContact O-CB 3.47Å; F34-L38 PolarHBondContact O-N 3.34Å |
| 35 | D | 77.1 | Confident | 68.8 | Low | 101 Ų | 101 | 112.9 Ų | 112.9 | 54% | 0.54 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -65.3 | -39.8 | 176.3 | -78.2 | -17.4 | 0 | 0 | 0 | 112 | E31 L38 E39 | E31-D35 WeakPolarHBondContact O-CB 3.28Å; E31-D35 PolarHBondContact O-N 3.49Å; D35-L38 PolarHBondContact O-N 2.93Å; D35-E39 PolarHBondContact O-N 2.99Å |
| 36 | A | 79.2 | Confident | 71 | Confident | 57 Ų | 57 | 112.5 Ų | 112.5 | 47% | 0.471 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -65.4 | -40.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | M32 H33 E39 A40 | M32-A36 WeakPolarHBondContact O-CB 3.21Å; M32-A36 PolarHBondContact O-N 2.64Å; H33-A36 PolarHBondContact O-N 2.84Å; A36-E39 PolarHBondContact O-N 2.75Å; A36-A40 PolarHBondContact O-N 2.92Å |
| 37 | E | 75.7 | Confident | 72.6 | Confident | 98 Ų | 98 | 112.9 Ų | 112.9 | 46% | 0.458 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.5 | -40.3 | 173.8 | -75.1 | -178 | -176.2 | 0 | 0 | 112.1 | H33 F34 A40 I41 | H33-E37 IonicContact CE1-OE1 2.96Å; H33-E37 PolarHBondContact CE1-OE1 3.47Å; H33-E37 IonicContact ND1-OE1 3.09Å; H33-E37 PolarHBondContact ND1-OE1 3.2Å; H33-E37 VanDerWaalsContact ND1-OE1 3.09Å; H33-E37 WeakPolarHBondContact O-CG 3.47Å; H33-E37 PolarHBondContact O-N 3.46Å; F34-E37 PolarHBondContact O-N 3.25Å; E37-A40 PolarHBondContact O-N 2.94Å; E37-I41 VanDerWaalsContact O-CG1 3.28Å; E37-I41 WeakPolarHBondContact O-CG1 3.45Å; E37-I41 PolarHBondContact O-N 3.27Å |
| 38 | L | 77.6 | Confident | 74.4 | Confident | 68 Ų | 68 | 113.7 Ų | 113.7 | 36% | 0.356 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.3 | -38.5 | 177.3 | -170.3 | 72.6 | 0 | 0 | 0 | 111.8 | F34 D35 I41 K42 | F34-L38 WeakPolarHBondContact O-CB 3.47Å; F34-L38 PolarHBondContact O-N 3.34Å; D35-L38 PolarHBondContact O-N 2.93Å; L38-I41 PolarHBondContact O-N 3.05Å; L38-K42 VanDerWaalsContact O-CG 3.31Å; L38-K42 WeakPolarHBondContact O-CG 3.41Å; L38-K42 PolarHBondContact O-N 3.39Å |
| 39 | E | 85.1 | Confident | 75.8 | Confident | 143 Ų | 143 | 112.9 Ų | 112.9 | 67% | 0.668 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65.9 | -43.1 | 175.3 | -167.9 | 165.9 | -159 | 0 | 0 | 111.4 | D35 A36 I41 K42 E43 | D35-E39 PolarHBondContact O-N 2.99Å; A36-E39 PolarHBondContact O-N 2.75Å; E39-I41 VanDerWaalsContact C-N 3.34Å; E39-I41 PolarHBondContact O-N 2.8Å; E39-K42 PolarHBondContact O-N 3.21Å; E39-E43 WeakPolarHBondContact O-CB 3.48Å; E39-E43 PolarHBondContact O-N 3.23Å |
| 40 | A | 86.5 | Confident | 77.5 | Confident | 55 Ų | 55 | 110.7 Ų | 110.7 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A36 E37 R44 | A36-A40 PolarHBondContact O-N 2.92Å; E37-A40 PolarHBondContact O-N 2.94Å; A40-R44 WeakPolarHBondContact O-CB 3.27Å; A40-R44 PolarHBondContact O-N 3.45Å |
| 41 | I | 82.4 | Confident | 78.9 | Confident | 111 Ų | 111 | 110 Ų | 110 | 57% | 0.569 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.8 | -41.9 | 175.7 | -67.9 | 165.6 | 0 | 0 | 0 | 111 | E37 L38 E39 R44 F45 | E37-I41 VanDerWaalsContact O-CG1 3.28Å; E37-I41 WeakPolarHBondContact O-CG1 3.45Å; E37-I41 PolarHBondContact O-N 3.27Å; L38-I41 PolarHBondContact O-N 3.05Å; E39-I41 VanDerWaalsContact C-N 3.34Å; E39-I41 PolarHBondContact O-N 2.8Å; I41-R44 PolarHBondContact O-N 3.26Å; I41-F45 WeakPolarHBondContact O-CB 3.4Å; I41-F45 PolarHBondContact O-N 3.02Å |
| 42 | K | 86.4 | Confident | 80.4 | Confident | 132 Ų | 132 | 105.1 Ų | 105.1 | 57% | 0.574 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.2 | -40.6 | 176.3 | -75.1 | 170.9 | -178.2 | 168.4 | 0 | 111.8 | L38 E39 F45 K46 | L38-K42 VanDerWaalsContact O-CG 3.31Å; L38-K42 WeakPolarHBondContact O-CG 3.41Å; L38-K42 PolarHBondContact O-N 3.39Å; E39-K42 PolarHBondContact O-N 3.21Å; K42-F45 PolarHBondContact O-N 3.47Å; K42-K46 PolarHBondContact O-N 3.26Å |
| 43 | E | 90.1 | Very high | 81.8 | Confident | 121 Ų | 121 | 103.9 Ų | 103.9 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.5 | -47.4 | 175.7 | -172.9 | 171.4 | -156.5 | 0 | 0 | 110.9 | E39 F45 K46 E47 | E39-E43 WeakPolarHBondContact O-CB 3.48Å; E39-E43 PolarHBondContact O-N 3.23Å; E43-F45 VanDerWaalsContact C-N 3.3Å; E43-F45 PolarHBondContact O-N 3.47Å; E43-K46 WeakPolarHBondContact O-CB 3.21Å; E43-K46 PolarHBondContact O-N 2.97Å; E43-K46 VanDerWaalsContact O-N 3.14Å; E43-E47 PolarHBondContact O-N 3.12Å |
| 44 | R | 83.9 | Confident | 83 | Confident | 175 Ų | 175 | 104.2 Ų | 104.2 | 66% | 0.66 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.8 | -40.8 | 174.7 | -169.7 | -167.1 | 178.7 | -156.6 | 0.1 | 112.3 | A40 I41 K46 E47 I48 | A40-R44 WeakPolarHBondContact O-CB 3.27Å; A40-R44 PolarHBondContact O-N 3.45Å; I41-R44 PolarHBondContact O-N 3.26Å; R44-K46 VanDerWaalsContact C-N 3.33Å; R44-E47 PolarHBondContact O-N 3.07Å; R44-I48 HydrophobicContact CG-CD1 4.05Å; R44-I48 VanDerWaalsContact O-CG1 3.26Å; R44-I48 WeakPolarHBondContact O-CG1 3.49Å; R44-I48 PolarHBondContact O-N 3.3Å |
| 45 | F | 86.5 | Confident | 83.7 | Confident | 124 Ų | 124 | 103.1 Ų | 103.1 | 54% | 0.544 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 178 | -162.7 | -100.8 | 0 | 0 | 0 | 111.5 | I41 K42 E43 E47 I48 E49 | I41-F45 WeakPolarHBondContact O-CB 3.4Å; I41-F45 PolarHBondContact O-N 3.02Å; K42-F45 PolarHBondContact O-N 3.47Å; E43-F45 VanDerWaalsContact C-N 3.3Å; E43-F45 PolarHBondContact O-N 3.47Å; F45-E47 PolarHBondContact O-N 2.91Å; F45-I48 PolarHBondContact O-N 3.23Å; F45-E49 HydrophobicContact CD1-CG 4.13Å; F45-E49 HydrophobicContact CE1-CG 4.02Å; F45-E49 WeakPolarHBondContact CE1-OE1 3.34Å; F45-E49 WeakPolarHBondContact O-CG 3.39Å; F45-E49 PolarHBondContact O-N 3.3Å |
| 46 | K | 89.8 | Confident | 83.8 | Confident | 153 Ų | 153 | 102.9 Ų | 102.9 | 67% | 0.665 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.6 | -38.2 | 176.2 | -171.2 | -179.2 | -179.6 | -176.7 | 0 | 112.7 | K42 E43 R44 A50 | K42-K46 PolarHBondContact O-N 3.26Å; E43-K46 WeakPolarHBondContact O-CB 3.21Å; E43-K46 PolarHBondContact O-N 2.97Å; E43-K46 VanDerWaalsContact O-N 3.14Å; R44-K46 VanDerWaalsContact C-N 3.33Å; K46-A50 WeakPolarHBondContact O-CB 3.45Å; K46-A50 PolarHBondContact O-N 3.45Å |
| 47 | E | 86.8 | Confident | 83.9 | Confident | 119 Ų | 119 | 104.1 Ų | 104.1 | 56% | 0.556 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.8 | -44.8 | 173.5 | -69.7 | -174.8 | 160.6 | 0 | 0 | 111.7 | E43 R44 F45 E49 A50 D51 | E43-E47 PolarHBondContact O-N 3.12Å; R44-E47 PolarHBondContact O-N 3.07Å; F45-E47 PolarHBondContact O-N 2.91Å; E47-E49 PolarHBondContact O-N 2.63Å; E47-A50 PolarHBondContact O-N 3.25Å; E47-D51 PolarHBondContact O-N 3.41Å |
| 48 | I | 85.4 | Confident | 83.9 | Confident | 89 Ų | 89 | 104.4 Ų | 104.4 | 46% | 0.456 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 177.2 | -68.2 | 165.5 | 0 | 0 | 0 | 110.9 | R44 F45 D51 A52 | R44-I48 HydrophobicContact CG-CD1 4.05Å; R44-I48 VanDerWaalsContact O-CG1 3.26Å; R44-I48 WeakPolarHBondContact O-CG1 3.49Å; R44-I48 PolarHBondContact O-N 3.3Å; F45-I48 PolarHBondContact O-N 3.23Å; I48-D51 PolarHBondContact O-N 2.84Å; I48-A52 WeakPolarHBondContact O-CB 3.32Å; I48-A52 PolarHBondContact O-N 3Å |
| 49 | E | 83.1 | Confident | 83.9 | Confident | 99 Ų | 99 | 107.4 Ų | 107.4 | 46% | 0.463 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.6 | -41.4 | 175.9 | -74.6 | -173.9 | 155.9 | 0 | 0 | 112.3 | F45 E47 D51 A52 N53 | F45-E49 HydrophobicContact CD1-CG 4.13Å; F45-E49 HydrophobicContact CE1-CG 4.02Å; F45-E49 WeakPolarHBondContact CE1-OE1 3.34Å; F45-E49 WeakPolarHBondContact O-CG 3.39Å; F45-E49 PolarHBondContact O-N 3.3Å; E47-E49 PolarHBondContact O-N 2.63Å; E49-D51 VanDerWaalsContact C-N 3.32Å; E49-D51 PolarHBondContact O-N 3.16Å; E49-A52 PolarHBondContact O-N 2.86Å; E49-N53 WeakPolarHBondContact O-CB 3.32Å; E49-N53 VanDerWaalsContact O-CG 3.26Å; E49-N53 PolarHBondContact O-N 3.48Å; E49-N53 PolarHBondContact O-ND2 2.93Å; E49-N53 VanDerWaalsContact O-ND2 3.16Å |
| 50 | A | 86.5 | Confident | 83.5 | Confident | 40 Ų | 40 | 107 Ų | 107 | 33% | 0.331 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.1 | -39.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K46 E47 K54 | K46-A50 WeakPolarHBondContact O-CB 3.45Å; K46-A50 PolarHBondContact O-N 3.45Å; E47-A50 PolarHBondContact O-N 3.25Å; A50-K54 VanDerWaalsContact O-CG 3.26Å; A50-K54 WeakPolarHBondContact O-CG 3.27Å; A50-K54 PolarHBondContact O-N 3.04Å |
| 51 | D | 82.9 | Confident | 82.9 | Confident | 86 Ų | 86 | 109.2 Ų | 109.2 | 46% | 0.46 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.5 | -37.1 | 176.6 | -79.8 | -2.3 | 0 | 0 | 0 | 112.5 | E47 I48 E49 N53 K54 L55 | E47-D51 PolarHBondContact O-N 3.41Å; I48-D51 PolarHBondContact O-N 2.84Å; E49-D51 VanDerWaalsContact C-N 3.32Å; E49-D51 PolarHBondContact O-N 3.16Å; D51-N53 VanDerWaalsContact C-N 3.35Å; D51-N53 PolarHBondContact O-N 3.48Å; D51-K54 PolarHBondContact O-N 3.23Å; D51-K54 IonicContact OD1-NZ 2.79Å; D51-K54 PolarHBondContact OD1-NZ 3.45Å; D51-L55 WeakPolarHBondContact O-CB 3.22Å; D51-L55 VanDerWaalsContact O-CG 3.29Å; D51-L55 WeakPolarHBondContact O-CG 3.32Å; D51-L55 PolarHBondContact O-N 3.05Å |
| 52 | A | 84.6 | Confident | 82.3 | Confident | 52 Ų | 52 | 107.5 Ų | 107.5 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.8 | -42.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I48 E49 L55 H56 | I48-A52 WeakPolarHBondContact O-CB 3.32Å; I48-A52 PolarHBondContact O-N 3Å; E49-A52 PolarHBondContact O-N 2.86Å; A52-L55 PolarHBondContact O-N 2.63Å; A52-H56 WeakPolarHBondContact O-CB 3.49Å; A52-H56 PolarHBondContact O-N 3.13Å |
| 53 | N | 85.4 | Confident | 81.3 | Confident | 107 Ų | 107 | 105.7 Ų | 105.7 | 57% | 0.572 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65 | -44.4 | 176.2 | -73.2 | -31.4 | 0 | 0 | 0 | 111.8 | E49 D51 L55 H56 D57 | E49-N53 WeakPolarHBondContact O-CB 3.32Å; E49-N53 VanDerWaalsContact O-CG 3.26Å; E49-N53 PolarHBondContact O-N 3.48Å; E49-N53 PolarHBondContact O-ND2 2.93Å; E49-N53 VanDerWaalsContact O-ND2 3.16Å; D51-N53 VanDerWaalsContact C-N 3.35Å; D51-N53 PolarHBondContact O-N 3.48Å; N53-L55 VanDerWaalsContact C-N 3.33Å; N53-L55 PolarHBondContact O-N 2.66Å; N53-H56 WeakPolarHBondContact O-CB 3.28Å; N53-H56 PolarHBondContact O-N 2.81Å; N53-D57 PolarHBondContact O-N 3.27Å |
| 54 | K | 84.5 | Confident | 80.2 | Confident | 121 Ų | 121 | 108.2 Ų | 108.2 | 53% | 0.526 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.3 | -43.5 | 174 | -70.4 | 169 | -156.3 | 156.3 | 0 | 111.6 | A50 D51 H56 D57 L58 | A50-K54 VanDerWaalsContact O-CG 3.26Å; A50-K54 WeakPolarHBondContact O-CG 3.27Å; A50-K54 PolarHBondContact O-N 3.04Å; D51-K54 PolarHBondContact O-N 3.23Å; D51-K54 IonicContact OD1-NZ 2.79Å; D51-K54 PolarHBondContact OD1-NZ 3.45Å; K54-H56 VanDerWaalsContact C-N 3.32Å; K54-H56 PolarHBondContact O-N 3.11Å; K54-D57 PolarHBondContact O-N 3.29Å; K54-L58 VanDerWaalsContact O-CG 3.31Å; K54-L58 WeakPolarHBondContact O-CG 3.43Å; K54-L58 PolarHBondContact O-N 2.89Å |
| 55 | L | 77.9 | Confident | 78.5 | Confident | 115 Ų | 115 | 101.7 Ų | 101.7 | 60% | 0.602 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64 | -38.2 | 177.5 | -74.7 | 173.5 | 0 | 0 | 0 | 111.9 | D51 A52 N53 L58 R59 | D51-L55 WeakPolarHBondContact O-CB 3.22Å; D51-L55 VanDerWaalsContact O-CG 3.29Å; D51-L55 WeakPolarHBondContact O-CG 3.32Å; D51-L55 PolarHBondContact O-N 3.05Å; A52-L55 PolarHBondContact O-N 2.63Å; N53-L55 VanDerWaalsContact C-N 3.33Å; N53-L55 PolarHBondContact O-N 2.66Å; L55-L58 PolarHBondContact O-N 3.13Å; L55-R59 WeakPolarHBondContact O-CB 3.42Å; L55-R59 PolarHBondContact O-N 3.19Å |
| 56 | H | 78.6 | Confident | 77 | Confident | 95 Ų | 95 | 101.1 Ų | 101.1 | 44% | 0.44 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 176.8 | -172.7 | -92.1 | 0 | 0 | 0 | 112.1 | A52 N53 K54 R59 R60 | A52-H56 WeakPolarHBondContact O-CB 3.49Å; A52-H56 PolarHBondContact O-N 3.13Å; N53-H56 WeakPolarHBondContact O-CB 3.28Å; N53-H56 PolarHBondContact O-N 2.81Å; K54-H56 VanDerWaalsContact C-N 3.32Å; K54-H56 PolarHBondContact O-N 3.11Å; H56-R59 PolarHBondContact O-N 3.44Å; H56-R60 PolarHBondContact CE1-NE 2.95Å; H56-R60 PolarHBondContact CE1-NH2 3.39Å; H56-R60 WeakPolarHBondContact O-CG 3.2Å; H56-R60 PolarHBondContact O-N 3Å |
| 57 | D | 81 | Confident | 75.3 | Confident | 84 Ų | 84 | 100.8 Ų | 100.8 | 45% | 0.449 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.7 | -40.4 | 175.9 | -71.8 | -26.5 | 0 | 0 | 0 | 112.2 | N53 K54 R59 R60 V61 | N53-D57 PolarHBondContact O-N 3.27Å; K54-D57 PolarHBondContact O-N 3.29Å; D57-R59 VanDerWaalsContact C-N 3.28Å; D57-R59 PolarHBondContact O-N 2.75Å; D57-R60 WeakPolarHBondContact O-CB 3.35Å; D57-R60 PolarHBondContact O-N 3.27Å; D57-R60 IonicContact OD1-NH1 3.62Å; D57-V61 WeakPolarHBondContact O-CG2 3.27Å; D57-V61 PolarHBondContact O-N 3.45Å |
| 58 | L | 76.7 | Confident | 73.4 | Confident | 103 Ų | 103 | 97.9 Ų | 97.9 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.9 | -41.7 | 171 | -71.5 | 173.2 | 0 | 0 | 0 | 111.2 | K54 L55 V61 I62 | K54-L58 VanDerWaalsContact O-CG 3.31Å; K54-L58 WeakPolarHBondContact O-CG 3.43Å; K54-L58 PolarHBondContact O-N 2.89Å; L55-L58 PolarHBondContact O-N 3.13Å; L58-V61 PolarHBondContact O-N 2.91Å; L58-I62 WeakPolarHBondContact O-CB 3.45Å; L58-I62 WeakPolarHBondContact O-CD1 3.44Å; L58-I62 WeakPolarHBondContact O-CG1 3.15Å; L58-I62 PolarHBondContact O-N 2.78Å |
| 59 | R | 77.2 | Confident | 71.9 | Confident | 131 Ų | 131 | 100.4 Ų | 100.4 | 49% | 0.494 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.3 | -45.7 | 176.2 | -177.9 | 65.4 | -164.2 | -178.4 | 5.4 | 111.6 | L55 H56 D57 V61 I62 D63 | L55-R59 WeakPolarHBondContact O-CB 3.42Å; L55-R59 PolarHBondContact O-N 3.19Å; H56-R59 PolarHBondContact O-N 3.44Å; D57-R59 VanDerWaalsContact C-N 3.28Å; D57-R59 PolarHBondContact O-N 2.75Å; R59-V61 VanDerWaalsContact C-N 3.31Å; R59-V61 PolarHBondContact O-N 2.87Å; R59-I62 PolarHBondContact O-N 2.99Å; R59-D63 IonicContact CZ-OD1 2.81Å; R59-D63 IonicContact CZ-OD2 3.75Å; R59-D63 IonicContact NE-OD1 3.08Å; R59-D63 PolarHBondContact NE-OD1 3Å; R59-D63 VanDerWaalsContact NE-OD1 3.14Å; R59-D63 IonicContact NE-OD2 3.63Å; R59-D63 PolarHBondContact NE-OD2 2.79Å; R59-D63 IonicContact NH1-OD1 2.8Å; R59-D63 IonicContact NH2-OD1 3.29Å; R59-D63 PolarHBondContact NH2-OD1 2.98Å; R59-D63 IonicContact NH2-OD2 3.97Å; R59-D63 WeakPolarHBondContact O-CB 3.2Å; R59-D63 PolarHBondContact O-N 2.8Å |
| 60 | R | 77.2 | Confident | 70.4 | Confident | 135 Ų | 135 | 99 Ų | 99 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.1 | -39.9 | 175.1 | -80.3 | 175.7 | 167.1 | 164.9 | -2.1 | 112.6 | H56 D57 K64 | H56-R60 PolarHBondContact CE1-NE 2.95Å; H56-R60 PolarHBondContact CE1-NH2 3.39Å; H56-R60 WeakPolarHBondContact O-CG 3.2Å; H56-R60 PolarHBondContact O-N 3Å; D57-R60 WeakPolarHBondContact O-CB 3.35Å; D57-R60 PolarHBondContact O-N 3.27Å; D57-R60 IonicContact OD1-NH1 3.62Å; R60-K64 WeakPolarHBondContact O-CB 3.2Å; R60-K64 VanDerWaalsContact O-CG 3.24Å; R60-K64 WeakPolarHBondContact O-CG 3.46Å; R60-K64 PolarHBondContact O-N 2.93Å; R60-K64 VanDerWaalsContact O-N 3.12Å |
| 61 | V | 74.4 | Confident | 68.9 | Low | 101 Ų | 101 | 102.4 Ų | 102.4 | 61% | 0.612 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.1 | -42.1 | 177.1 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | D57 L58 R59 K64 S65 | D57-V61 WeakPolarHBondContact O-CG2 3.27Å; D57-V61 PolarHBondContact O-N 3.45Å; L58-V61 PolarHBondContact O-N 2.91Å; R59-V61 VanDerWaalsContact C-N 3.31Å; R59-V61 PolarHBondContact O-N 2.87Å; V61-K64 PolarHBondContact O-N 2.93Å; V61-S65 PolarHBondContact O-N 3.14Å |
| 62 | I | 68.7 | Low | 67.8 | Low | 75 Ų | 75 | 101 Ų | 101 | 39% | 0.385 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.6 | -45.4 | 177.3 | -69.3 | 164.4 | 0 | 0 | 0 | 111 | L58 R59 K64 S65 | L58-I62 WeakPolarHBondContact O-CB 3.45Å; L58-I62 WeakPolarHBondContact O-CD1 3.44Å; L58-I62 WeakPolarHBondContact O-CG1 3.15Å; L58-I62 PolarHBondContact O-N 2.78Å; R59-I62 PolarHBondContact O-N 2.99Å; I62-K64 VanDerWaalsContact C-N 3.25Å; I62-K64 PolarHBondContact O-N 3.5Å; I62-S65 WeakPolarHBondContact O-CB 3.48Å; I62-S65 PolarHBondContact O-N 2.79Å; I62-S65 PolarHBondContact O-OG 2.96Å |
| 63 | D | 65.2 | Low | 66.6 | Low | 94 Ų | 94 | 102.4 Ų | 102.4 | 50% | 0.503 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.5 | -26.1 | 179.6 | -70.4 | -26.4 | 0 | 0 | 0 | 112.3 | R59 | R59-D63 IonicContact CZ-OD1 2.81Å; R59-D63 IonicContact CZ-OD2 3.75Å; R59-D63 IonicContact NE-OD1 3.08Å; R59-D63 PolarHBondContact NE-OD1 3Å; R59-D63 VanDerWaalsContact NE-OD1 3.14Å; R59-D63 IonicContact NE-OD2 3.63Å; R59-D63 PolarHBondContact NE-OD2 2.79Å; R59-D63 IonicContact NH1-OD1 2.8Å; R59-D63 IonicContact NH2-OD1 3.29Å; R59-D63 PolarHBondContact NH2-OD1 2.98Å; R59-D63 IonicContact NH2-OD2 3.97Å; R59-D63 WeakPolarHBondContact O-CB 3.2Å; R59-D63 PolarHBondContact O-N 2.8Å |
| 64 | K | 66.8 | Low | 65.6 | Low | 174 Ų | 174 | 103.4 Ų | 103.4 | 76% | 0.757 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -83.2 | -13.7 | 172.2 | -73 | 175.9 | -179 | -178.5 | 0 | 113.8 | R60 V61 I62 | R60-K64 WeakPolarHBondContact O-CB 3.2Å; R60-K64 VanDerWaalsContact O-CG 3.24Å; R60-K64 WeakPolarHBondContact O-CG 3.46Å; R60-K64 PolarHBondContact O-N 2.93Å; R60-K64 VanDerWaalsContact O-N 3.12Å; V61-K64 PolarHBondContact O-N 2.93Å; I62-K64 VanDerWaalsContact C-N 3.25Å; I62-K64 PolarHBondContact O-N 3.5Å |
| 65 | S | 48.2 | Very low | 64.8 | Low | 38 Ų | 38 | 100.7 Ų | 100.7 | 27% | 0.266 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -81.7 | 127 | 177.1 | 75.6 | 0 | 0 | 0 | 0 | 110.3 | V61 I62 I67 S68 | V61-S65 PolarHBondContact O-N 3.14Å; I62-S65 WeakPolarHBondContact O-CB 3.48Å; I62-S65 PolarHBondContact O-N 2.79Å; I62-S65 PolarHBondContact O-OG 2.96Å; S65-I67 PolarHBondContact O-N 3.42Å; S65-S68 PolarHBondContact OG-OG 3.25Å |
| 66 | P | 55.7 | Low | 64.9 | Low | 112 Ų | 112 | 97.8 Ų | 97.8 | 73% | 0.727 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -3.9 | -179.3 | 27.4 | -34.6 | 0 | 0 | 0 | 113.8 | ||
| 67 | I | 54.7 | Low | 65.1 | Low | 146 Ų | 146 | 99 Ų | 99 | 75% | 0.749 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.2 | -14.7 | -169 | -91.5 | 150.5 | 0 | 0 | 0 | 113.9 | S65 | S65-I67 PolarHBondContact O-N 3.42Š|
| 68 | S | 47.3 | Very low | 65.2 | Low | 59 Ų | 59 | 102.3 Ų | 102.3 | 41% | 0.413 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -98.5 | 4.3 | -175 | -61.5 | 0 | 0 | 0 | 0 | 115.3 | S65 S70 | S65-S68 PolarHBondContact OG-OG 3.25Å; S68-S70 PolarHBondContact O-N 3.04Å |
| 69 | K | 52.9 | Low | 65.6 | Low | 142 Ų | 142 | 100.7 Ų | 100.7 | 62% | 0.617 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | 7.7 | 175.5 | -64.2 | -175.5 | -179.2 | 179.9 | 0 | 114.2 | R114 | K69-R114 PolarHBondContact O-NH1 3.24Š|
| 70 | S | 53.1 | Low | 66 | Low | 70 Ų | 70 | 97.1 Ų | 97.1 | 49% | 0.49 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -16.4 | -171.2 | 62.2 | 0 | 0 | 0 | 0 | 114.4 | S68 R114 | S68-S70 PolarHBondContact O-N 3.04Å; S70-R114 PolarHBondContact O-NH1 3.38Å |
| 71 | N | 54.5 | Low | 66.4 | Low | 110 Ų | 110 | 93.6 Ų | 93.6 | 59% | 0.588 | 51% | 0.511 | S | S | * | . | trans | -110.7 | 90.9 | -175.7 | -69.6 | -20.5 | 0 | 0 | 0 | 112.7 | S73 | N71-S73 PolarHBondContact O-N 2.85Š| ||
| 72 | N | 58.6 | Low | 67.1 | Low | 56 Ų | 56 | 93.1 Ų | 93.1 | 30% | 0.299 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -61.5 | 2.6 | 167 | -83.8 | 17.6 | 0 | 0 | 0 | 113.6 | N74 K80 | N72-N74 VanDerWaalsContact C-N 3.25Å; N72-N74 PolarHBondContact O-N 3.14Å; N72-K80 WeakPolarHBondContact O-CE 3.43Å |
| 73 | S | 61 | Low | 68.2 | Low | 83 Ų | 83 | 90.2 Ų | 90.2 | 58% | 0.58 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -70.1 | -21.4 | 179 | 57.9 | 0 | 0 | 0 | 0 | 113.3 | N71 | N71-S73 PolarHBondContact O-N 2.85Š|
| 74 | N | 64.3 | Low | 69.4 | Low | 127 Ų | 127 | 86.7 Ų | 86.7 | 68% | 0.679 | 47% | 0.469 | S | S | * | . | G | 310 helix | trans | -108 | 2.3 | -171.6 | -62.1 | 4.2 | 0 | 0 | 0 | 113.8 | N72 | N72-N74 VanDerWaalsContact C-N 3.25Å; N72-N74 PolarHBondContact O-N 3.14Å |
| 75 | L | 67.1 | Low | 70.6 | Confident | 65 Ų | 65 | 82.9 Ų | 82.9 | 34% | 0.34 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -82 | 145.1 | 175.8 | -68.1 | 176.2 | 0 | 0 | 0 | 109.8 | D79 K80 | L75-D79 HydrophobicContact CB-CB 3.97Å; L75-D79 HydrophobicContact CD2-CB 4.28Å; L75-K80 HydrophobicContact CB-CG 3.94Å; L75-K80 WeakPolarHBondContact O-CE 3.05Å; L75-K80 PolarHBondContact O-NZ 3.12Å |
| 76 | S | 80.5 | Confident | 72.7 | Confident | 54 Ų | 54 | 83.5 Ų | 83.5 | 38% | 0.378 | 45% | 0.453 | S | S | . | . | trans | -59.7 | 157.6 | 170.4 | 72.7 | 0 | 0 | 0 | 0 | 109.4 | E78 D79 K80 | S76-E78 PolarHBondContact O-N 3.33Å; S76-D79 WeakPolarHBondContact CB-OD2 3.46Å; S76-D79 PolarHBondContact N-OD2 3.22Å; S76-D79 PolarHBondContact O-N 2.84Å; S76-D79 PolarHBondContact OG-N 2.82Å; S76-D79 VanDerWaalsContact OG-N 3.16Å; S76-D79 PolarHBondContact OG-OD2 2.99Å; S76-K80 WeakPolarHBondContact O-CG 3.45Å; S76-K80 PolarHBondContact O-N 2.79Å | ||
| 77 | D | 81.8 | Confident | 74.6 | Confident | 120 Ų | 120 | 78.3 Ų | 78.3 | 64% | 0.642 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.1 | -29.6 | 179.9 | -67 | -30.8 | 0 | 0 | 0 | 111.5 | K80 T81 | D77-K80 PolarHBondContact O-N 3.42Å; D77-K80 IonicContact OD1-NZ 2.9Å; D77-K80 PolarHBondContact OD1-NZ 3.1Å; D77-T81 VanDerWaalsContact O-CG2 3.28Å; D77-T81 WeakPolarHBondContact O-CG2 3.45Å; D77-T81 PolarHBondContact O-N 3.3Å |
| 78 | E | 83 | Confident | 76.5 | Confident | 153 Ų | 153 | 71.4 Ų | 71.4 | 72% | 0.715 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -62.4 | -51.7 | 171.9 | -63.2 | 179.8 | 175.1 | 0 | 0 | 111 | S76 K80 T81 E82 | S76-E78 PolarHBondContact O-N 3.33Å; E78-K80 VanDerWaalsContact C-N 3.29Å; E78-K80 PolarHBondContact O-N 3.32Å; E78-T81 WeakPolarHBondContact O-CA 3.1Å; E78-T81 PolarHBondContact O-N 3.42Å; E78-T81 PolarHBondContact O-OG1 2.92Å; E78-E82 PolarHBondContact O-N 3.25Å |
| 79 | D | 85.7 | Confident | 78.9 | Confident | 69 Ų | 69 | 72.1 Ų | 72.1 | 37% | 0.369 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.9 | -40.8 | 178.1 | -62.9 | -42.5 | 0 | 0 | 0 | 112.1 | L75 S76 T81 E82 V83 | L75-D79 HydrophobicContact CB-CB 3.97Å; L75-D79 HydrophobicContact CD2-CB 4.28Å; S76-D79 WeakPolarHBondContact CB-OD2 3.46Å; S76-D79 PolarHBondContact N-OD2 3.22Å; S76-D79 PolarHBondContact O-N 2.84Å; S76-D79 PolarHBondContact OG-N 2.82Å; S76-D79 VanDerWaalsContact OG-N 3.16Å; S76-D79 PolarHBondContact OG-OD2 2.99Å; D79-T81 VanDerWaalsContact C-N 3.31Å; D79-T81 PolarHBondContact O-N 2.93Å; D79-E82 PolarHBondContact O-N 3.25Å; D79-V83 WeakPolarHBondContact O-CB 3.42Å; D79-V83 VanDerWaalsContact O-CG2 3.27Å; D79-V83 WeakPolarHBondContact O-CG2 3.29Å; D79-V83 PolarHBondContact O-N 2.8Å |
| 80 | K | 85.2 | Confident | 80.9 | Confident | 56 Ų | 56 | 65.3 Ų | 65.3 | 24% | 0.243 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 175.8 | -68.5 | 173.3 | -163.8 | 138.5 | 0 | 111 | N72 L75 S76 D77 E78 V83 D84 | N72-K80 WeakPolarHBondContact O-CE 3.43Å; L75-K80 HydrophobicContact CB-CG 3.94Å; L75-K80 WeakPolarHBondContact O-CE 3.05Å; L75-K80 PolarHBondContact O-NZ 3.12Å; S76-K80 WeakPolarHBondContact O-CG 3.45Å; S76-K80 PolarHBondContact O-N 2.79Å; D77-K80 PolarHBondContact O-N 3.42Å; D77-K80 IonicContact OD1-NZ 2.9Å; D77-K80 PolarHBondContact OD1-NZ 3.1Å; E78-K80 VanDerWaalsContact C-N 3.29Å; E78-K80 PolarHBondContact O-N 3.32Å; K80-V83 PolarHBondContact O-N 2.91Å; K80-D84 VanDerWaalsContact O-CB 3.28Å; K80-D84 WeakPolarHBondContact O-CB 3.35Å; K80-D84 PolarHBondContact O-N 3.18Å |
| 81 | T | 86.8 | Confident | 82.9 | Confident | 61 Ų | 61 | 62 Ų | 62 | 37% | 0.374 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 177.2 | 62.9 | 0 | 0 | 0 | 0 | 111.6 | D77 E78 D79 D84 L85 T163 | D77-T81 VanDerWaalsContact O-CG2 3.28Å; D77-T81 WeakPolarHBondContact O-CG2 3.45Å; D77-T81 PolarHBondContact O-N 3.3Å; E78-T81 WeakPolarHBondContact O-CA 3.1Å; E78-T81 PolarHBondContact O-N 3.42Å; E78-T81 PolarHBondContact O-OG1 2.92Å; D79-T81 VanDerWaalsContact C-N 3.31Å; D79-T81 PolarHBondContact O-N 2.93Å; T81-D84 PolarHBondContact O-N 3.36Å; T81-L85 WeakPolarHBondContact O-CB 3.3Å; T81-L85 WeakPolarHBondContact O-CG 3.37Å; T81-L85 PolarHBondContact O-N 3.45Å; T81-T163 HydrophobicContact CG2-CG2 4.24Å |
| 82 | E | 89.1 | Confident | 84.8 | Confident | 92 Ų | 92 | 60.4 Ų | 60.4 | 43% | 0.43 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 176.9 | -67.9 | -167.3 | 165.2 | 0 | 0 | 113 | E78 D79 D84 L85 R86 | E78-E82 PolarHBondContact O-N 3.25Å; D79-E82 PolarHBondContact O-N 3.25Å; E82-D84 VanDerWaalsContact C-N 3.33Å; E82-L85 PolarHBondContact O-N 3.46Å; E82-R86 PolarHBondContact O-N 2.85Å; E82-R86 VanDerWaalsContact O-N 3.13Å |
| 83 | V | 90.1 | Very high | 86.5 | Confident | 14 Ų | 14 | 57.9 Ų | 57.9 | 9% | 0.085 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 172.3 | 170.6 | 0 | 0 | 0 | 0 | 110 | D79 K80 L85 R86 S87 E133 | D79-V83 WeakPolarHBondContact O-CB 3.42Å; D79-V83 VanDerWaalsContact O-CG2 3.27Å; D79-V83 WeakPolarHBondContact O-CG2 3.29Å; D79-V83 PolarHBondContact O-N 2.8Å; K80-V83 PolarHBondContact O-N 2.91Å; V83-L85 VanDerWaalsContact C-N 3.34Å; V83-L85 PolarHBondContact O-N 3.05Å; V83-R86 CarbonylContact O-C 3.46Å; V83-R86 PolarHBondContact O-N 3.39Å; V83-S87 WeakPolarHBondContact O-CB 3.17Å; V83-S87 PolarHBondContact O-N 3.18Å; V83-S87 VanDerWaalsContact O-N 3.13Å; V83-S87 PolarHBondContact O-OG 2.84Å; V83-E133 HydrophobicContact CG1-CG 4.05Å |
| 84 | D | 90.5 | Very high | 88 | Confident | 19 Ų | 19 | 55.4 Ų | 55.4 | 10% | 0.102 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.1 | -37.5 | 177.8 | -75 | -10.4 | 0 | 0 | 0 | 112.2 | K80 T81 E82 R86 S87 K161 T163 | K80-D84 VanDerWaalsContact O-CB 3.28Å; K80-D84 WeakPolarHBondContact O-CB 3.35Å; K80-D84 PolarHBondContact O-N 3.18Å; T81-D84 PolarHBondContact O-N 3.36Å; E82-D84 VanDerWaalsContact C-N 3.33Å; D84-R86 VanDerWaalsContact C-N 3.29Å; D84-R86 PolarHBondContact O-N 3.04Å; D84-S87 WeakPolarHBondContact O-CB 3.33Å; D84-S87 PolarHBondContact O-N 3.23Å; D84-S87 VanDerWaalsContact O-N 3.11Å; D84-K161 HydrophobicContact CB-CD 4.37Å; D84-K161 WeakPolarHBondContact OD1-CE 3.37Å; D84-K161 IonicContact OD1-NZ 3.14Å; D84-K161 PolarHBondContact OD1-NZ 3.4Å; D84-T163 HydrophobicContact CB-CG2 3.78Å |
| 85 | L | 92.4 | Very high | 89.3 | Confident | 94 Ų | 94 | 56 Ų | 56 | 49% | 0.492 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.2 | -29.7 | 174.8 | -72.8 | 171.5 | 0 | 0 | 0 | 112.9 | T81 E82 V83 S87 | T81-L85 WeakPolarHBondContact O-CB 3.3Å; T81-L85 WeakPolarHBondContact O-CG 3.37Å; T81-L85 PolarHBondContact O-N 3.45Å; E82-L85 PolarHBondContact O-N 3.46Å; V83-L85 VanDerWaalsContact C-N 3.34Å; V83-L85 PolarHBondContact O-N 3.05Å; L85-S87 VanDerWaalsContact C-N 3.3Å |
| 86 | R | 93.5 | Very high | 90.5 | Very high | 52 Ų | 52 | 54.8 Ų | 54.8 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 9 | 173.4 | -66.6 | -173.2 | -69.2 | 153.1 | 1.6 | 113.2 | E82 V83 D84 F134 D135 R137 V140 | E82-R86 PolarHBondContact O-N 2.85Å; E82-R86 VanDerWaalsContact O-N 3.13Å; V83-R86 CarbonylContact O-C 3.46Å; V83-R86 PolarHBondContact O-N 3.39Å; D84-R86 VanDerWaalsContact C-N 3.29Å; D84-R86 PolarHBondContact O-N 3.04Å; R86-F134 WeakPolarHBondContact CB-O 3.41Å; R86-F134 PolarHBondContact O-N 3.35Å; R86-D135 WeakPolarHBondContact CD-O 3.33Å; R86-D135 PolarHBondContact NH1-O 3.34Å; R86-D135 IonicContact NH1-OD1 3.25Å; R86-D135 PolarHBondContact NH1-OD1 3.03Å; R86-R137 HydrophobicContact CG-CG 3.72Å; R86-V140 VanDerWaalsContact C-CG2 3.42Å; R86-V140 WeakPolarHBondContact O-CG2 3.28Å |
| 87 | S | 94.6 | Very high | 91 | Very high | 3 Ų | 3 | 52.9 Ų | 52.9 | 2% | 0.021 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 148.9 | -176.8 | -66.4 | 0 | 0 | 0 | 0 | 112.7 | V83 D84 L85 I132 K161 | V83-S87 WeakPolarHBondContact O-CB 3.17Å; V83-S87 PolarHBondContact O-N 3.18Å; V83-S87 VanDerWaalsContact O-N 3.13Å; V83-S87 PolarHBondContact O-OG 2.84Å; D84-S87 WeakPolarHBondContact O-CB 3.33Å; D84-S87 PolarHBondContact O-N 3.23Å; D84-S87 VanDerWaalsContact O-N 3.11Å; L85-S87 VanDerWaalsContact C-N 3.3Å; S87-I132 CarbonylContact C-O 3.57Å; S87-I132 WeakPolarHBondContact CA-O 3.06Å; S87-K161 WeakPolarHBondContact O-CB 3.41Å; S87-K161 PolarHBondContact O-N 2.93Å |
| 88 | V | 95.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 139.5 | 179.3 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | V90 Y131 I132 F134 V140 A143 V158 L159 | V88-V90 HydrophobicContact CG1-CG2 4.37Å; V88-Y131 VanDerWaalsContact O-CA 3.3Å; V88-Y131 WeakPolarHBondContact O-CA 3.06Å; V88-I132 PolarHBondContact N-O 3.3Å; V88-I132 PolarHBondContact O-N 3.44Å; V88-F134 HydrophobicContact CB-CE2 4.09Å; V88-F134 HydrophobicContact CG2-CD2 4.03Å; V88-F134 HydrophobicContact CG2-CE2 3.63Å; V88-V140 HydrophobicContact CG2-CB 4.05Å; V88-V140 HydrophobicContact CG2-CG1 3.68Å; V88-V140 HydrophobicContact CG2-CG2 3.98Å; V88-A143 HydrophobicContact CG1-CB 4.5Å; V88-A143 HydrophobicContact CG2-CB 4.1Å; V88-V158 HydrophobicContact CG1-CG1 3.23Å; V88-L159 WeakPolarHBondContact CG1-O 3.47Å |
| 89 | Y | 96 | Very high | 92 | Very high | 73 Ų | 73 | 45.1 Ų | 45.1 | 29% | 0.286 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 125.9 | 166.8 | 169.4 | -95.8 | 0 | 0 | 0 | 109.7 | F129 Y131 V158 L159 | Y89-F129 HydrophobicContact CD2-CD2 4.49Å; Y89-F129 HydrophobicContact CE2-CB 3.76Å; Y89-F129 AromaticContact CE2-CD2 3.9Å; Y89-F129 HydrophobicContact CE2-CD2 3.9Å; Y89-F129 HydrophobicContact CE2-CG 4.13Å; Y89-Y131 HydrophobicContact CD2-CD1 4.34Å; Y89-Y131 AromaticContact CD2-CE1 3.7Å; Y89-Y131 HydrophobicContact CD2-CE1 3.7Å; Y89-Y131 HydrophobicContact CG-CE1 4.41Å; Y89-V158 WeakPolarHBondContact O-CA 3.48Å; Y89-L159 WeakPolarHBondContact CA-O 3.31Å; Y89-L159 WeakPolarHBondContact CB-O 3.26Å; Y89-L159 HydrophobicContact CD1-CB 4.21Å; Y89-L159 PolarHBondContact N-O 3Å; Y89-L159 PolarHBondContact O-N 3.01Å |
| 90 | V | 95.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 114.7 | 173.2 | -171.4 | 0 | 0 | 0 | 0 | 108.4 | V88 V93 F106 F129 A130 I132 L156 K157 | V88-V90 HydrophobicContact CG1-CG2 4.37Å; V90-V93 HydrophobicContact CB-CG2 4.13Å; V90-V93 HydrophobicContact CG1-CG2 3.56Å; V90-F106 HydrophobicContact CG1-CE2 4.24Å; V90-F106 HydrophobicContact CG1-CZ 4.24Å; V90-F106 HydrophobicContact CG2-CE2 3.92Å; V90-F106 HydrophobicContact CG2-CZ 3.86Å; V90-F129 CarbonylContact O-C 3.51Å; V90-F129 WeakPolarHBondContact O-CA 2.97Å; V90-F129 WeakPolarHBondContact O-CB 3.32Å; V90-A130 PolarHBondContact N-O 3.43Å; V90-A130 PolarHBondContact O-N 3.21Å; V90-I132 HydrophobicContact CG2-CD1 3.79Å; V90-I132 HydrophobicContact CG2-CG1 4.16Å; V90-L156 HydrophobicContact CG1-CB 4.31Å; V90-L156 HydrophobicContact CG1-CD1 4.09Å; V90-L156 HydrophobicContact CG1-CD2 4.14Å; V90-L156 HydrophobicContact CG1-CG 4.42Å; V90-K157 CarbonylContact C-O 3.49Å; V90-K157 WeakPolarHBondContact CA-O 3.27Å |
| 91 | G | 95.3 | Very high | 92.8 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 166.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V93 K157 | G91-V93 PolarHBondContact O-N 2.87Å; G91-K157 PolarHBondContact N-O 3.31Å; G91-K157 PolarHBondContact O-N 3.41Å |
| 92 | N | 94.7 | Very high | 93.2 | Very high | 76 Ų | 76 | 45.1 Ų | 45.1 | 41% | 0.406 | 24% | 0.238 | S | C | . | . | S | Bend | trans | 59.6 | 26.1 | -178.4 | -160.7 | 35.3 | 0 | 0 | 0 | 114.3 | G128 R154 Q155 | N92-G128 PolarHBondContact N-O 3.3Å; N92-R154 PolarHBondContact O-NE 3.34Å; N92-R154 PolarHBondContact OD1-NH2 2.81Å; N92-Q155 PolarHBondContact ND2-O 3.46Å |
| 93 | V | 93.5 | Very high | 93.4 | Very high | 2 Ų | 2 | 44.7 Ų | 44.7 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | trans | -65.3 | 142.6 | 176.6 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | V90 G91 S97 L102 G128 A130 F151 L156 | V90-V93 HydrophobicContact CB-CG2 4.13Å; V90-V93 HydrophobicContact CG1-CG2 3.56Å; G91-V93 PolarHBondContact O-N 2.87Å; V93-S97 WeakPolarHBondContact CG1-OG 3.44Å; V93-L102 HydrophobicContact CG1-CD1 4.28Å; V93-L102 HydrophobicContact CG1-CD2 4.08Å; V93-L102 HydrophobicContact CG2-CD2 4.48Å; V93-G128 PolarHBondContact N-O 3.48Å; V93-G128 VanDerWaalsContact O-CA 3.28Å; V93-G128 WeakPolarHBondContact O-CA 3.29Å; V93-A130 HydrophobicContact CG2-CB 4.43Å; V93-F151 HydrophobicContact CG1-CE1 4.46Å; V93-L156 HydrophobicContact CG2-CD2 4.17Å | ||
| 94 | D | 93.1 | Very high | 93.6 | Very high | 32 Ų | 32 | 47.2 Ų | 47.2 | 17% | 0.171 | 26% | 0.258 | C | S | . | . | trans | -63.1 | 147.9 | 177.5 | -173.5 | 48.7 | 0 | 0 | 0 | 112.5 | G96 S97 R152 R154 | D94-G96 PolarHBondContact O-N 3.29Å; D94-G96 PolarHBondContact OD2-N 3.04Å; D94-S97 WeakPolarHBondContact O-CB 3.46Å; D94-S97 PolarHBondContact O-N 2.85Å; D94-S97 PolarHBondContact O-OG 3.16Å; D94-R152 HydrophobicContact CB-CB 4.07Å; D94-R152 IonicContact OD2-CZ 2.63Å; D94-R152 IonicContact OD2-NE 3.55Å; D94-R152 PolarHBondContact OD2-NE 2.88Å; D94-R152 IonicContact OD2-NH2 3.56Å; D94-R152 PolarHBondContact OD2-NH2 2.8Å; D94-R154 IonicContact OD1-NH1 2.84Å | ||
| 95 | Y | 92.7 | Very high | 93.7 | Very high | 138 Ų | 138 | 48.8 Ų | 48.8 | 54% | 0.541 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -19.1 | -179.5 | -55.1 | -61.9 | 0 | 0 | 0 | 112.8 | P126 | Y95-P126 HydrophobicContact CD1-CG 4.3Å; Y95-P126 WeakPolarHBondContact CD1-O 3.39Å; Y95-P126 WeakPolarHBondContact O-CG 3.49Å |
| 96 | G | 90.7 | Very high | 93.8 | Very high | 40 Ų | 40 | 44.3 Ų | 44.3 | 41% | 0.412 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | 6.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114.3 | D94 R152 | D94-G96 PolarHBondContact O-N 3.29Å; D94-G96 PolarHBondContact OD2-N 3.04Å; G96-R152 PolarHBondContact O-NH1 3.34Å |
| 97 | S | 91.2 | Very high | 93.8 | Very high | 14 Ų | 14 | 50.9 Ų | 50.9 | 10% | 0.098 | 27% | 0.266 | C | S | . | . | trans | -69.4 | 135.9 | -176.5 | 69.5 | 0 | 0 | 0 | 0 | 111.9 | V93 D94 | V93-S97 WeakPolarHBondContact CG1-OG 3.44Å; D94-S97 WeakPolarHBondContact O-CB 3.46Å; D94-S97 PolarHBondContact O-N 2.85Å; D94-S97 PolarHBondContact O-OG 3.16Å | ||
| 98 | T | 93 | Very high | 93.7 | Very high | 68 Ų | 68 | 54.6 Ų | 54.6 | 42% | 0.417 | 30% | 0.304 | S | S | . | . | trans | -94.9 | 163.3 | 170.8 | 64.8 | 0 | 0 | 0 | 0 | 111 | D100 E101 L102 | T98-D100 PolarHBondContact O-N 2.75Å; T98-E101 PolarHBondContact O-N 2.9Å; T98-E101 WeakPolarHBondContact OG1-CG 3.24Å; T98-E101 PolarHBondContact OG1-N 3.24Å; T98-L102 PolarHBondContact O-N 3.14Å | ||
| 99 | A | 92.5 | Very high | 93.6 | Very high | 43 Ų | 43 | 55.7 Ų | 55.7 | 36% | 0.355 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.4 | -36.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L102 E103 V115 I117 | A99-L102 PolarHBondContact O-N 3.48Å; A99-E103 WeakPolarHBondContact O-CB 3.21Å; A99-E103 PolarHBondContact O-N 2.7Å; A99-V115 HydrophobicContact CB-CB 4.27Å; A99-V115 HydrophobicContact CB-CG1 4.2Å; A99-I117 HydrophobicContact CB-CD1 4.3Å |
| 100 | D | 94.7 | Very high | 93.5 | Very high | 120 Ų | 120 | 52.9 Ų | 52.9 | 64% | 0.642 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.4 | -41.6 | 178.5 | -172.1 | 40.1 | 0 | 0 | 0 | 112.2 | T98 L102 E103 A104 | T98-D100 PolarHBondContact O-N 2.75Å; D100-L102 PolarHBondContact O-N 3.22Å; D100-E103 PolarHBondContact O-N 3.05Å; D100-A104 WeakPolarHBondContact O-CB 3.41Å; D100-A104 PolarHBondContact O-N 3.32Å |
| 101 | E | 94.1 | Very high | 93.5 | Very high | 66 Ų | 66 | 56.4 Ų | 56.4 | 31% | 0.308 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.2 | -40 | 175.6 | -74.2 | 174.5 | -174.3 | 0 | 0 | 112.4 | T98 H105 F151 R152 | T98-E101 PolarHBondContact O-N 2.9Å; T98-E101 WeakPolarHBondContact OG1-CG 3.24Å; T98-E101 PolarHBondContact OG1-N 3.24Å; E101-H105 PolarHBondContact O-N 3.39Å; E101-H105 VanDerWaalsContact O-N 3.12Å; E101-F151 HydrophobicContact CB-CE2 4.1Å; E101-F151 HydrophobicContact CB-CZ 3.86Å; E101-R152 VanDerWaalsContact CD-NH1 3.27Å; E101-R152 IonicContact OE1-NH1 2.75Å; E101-R152 PolarHBondContact OE1-NH1 3.32Å; E101-R152 WeakPolarHBondContact OE2-CD 3.28Å; E101-R152 IonicContact OE2-CZ 3.44Å; E101-R152 IonicContact OE2-NE 3.4Å; E101-R152 IonicContact OE2-NH1 2.93Å; E101-R152 PolarHBondContact OE2-NH1 2.94Å |
| 102 | L | 93.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.7 | -42 | 175.2 | -70.8 | 175.3 | 0 | 0 | 0 | 111.1 | V93 T98 A99 D100 H105 F106 V115 I117 A130 F151 | V93-L102 HydrophobicContact CG1-CD1 4.28Å; V93-L102 HydrophobicContact CG1-CD2 4.08Å; V93-L102 HydrophobicContact CG2-CD2 4.48Å; T98-L102 PolarHBondContact O-N 3.14Å; A99-L102 PolarHBondContact O-N 3.48Å; D100-L102 PolarHBondContact O-N 3.22Å; L102-H105 PolarHBondContact O-N 3.04Å; L102-F106 WeakPolarHBondContact O-CD2 3.42Å; L102-F106 PolarHBondContact O-N 2.85Å; L102-F106 VanDerWaalsContact O-N 3.1Å; L102-V115 HydrophobicContact CB-CG1 4.16Å; L102-V115 HydrophobicContact CD1-CG1 4.01Å; L102-I117 HydrophobicContact CD1-CD1 4.01Å; L102-I117 HydrophobicContact CD1-CG1 3.89Å; L102-A130 HydrophobicContact CD1-CB 3.75Å; L102-F151 HydrophobicContact CD2-CE1 4.2Å; L102-F151 HydrophobicContact CD2-CE2 4.39Å; L102-F151 HydrophobicContact CD2-CZ 4.01Å; L102-F151 HydrophobicContact CG-CZ 4.5Å |
| 103 | E | 94.7 | Very high | 93.4 | Very high | 83 Ų | 83 | 57 Ų | 57 | 39% | 0.388 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.2 | -49.2 | 175.8 | -168.4 | -178.8 | 153.2 | 0 | 0 | 110.7 | A99 D100 H105 F106 R107 I112 V115 | A99-E103 WeakPolarHBondContact O-CB 3.21Å; A99-E103 PolarHBondContact O-N 2.7Å; D100-E103 PolarHBondContact O-N 3.05Å; E103-H105 VanDerWaalsContact C-N 3.31Å; E103-H105 PolarHBondContact O-N 3.35Å; E103-F106 PolarHBondContact O-N 3.12Å; E103-R107 VanDerWaalsContact O-CB 3.27Å; E103-R107 WeakPolarHBondContact O-CB 3.41Å; E103-R107 PolarHBondContact O-N 3.01Å; E103-I112 HydrophobicContact CB-CD1 4.33Å; E103-I112 HydrophobicContact CG-CB 4.37Å; E103-I112 HydrophobicContact CG-CD1 3.75Å; E103-I112 WeakPolarHBondContact O-CD1 3.45Å; E103-V115 HydrophobicContact CB-CG2 4.32Å |
| 104 | A | 94.2 | Very high | 93.3 | Very high | 66 Ų | 66 | 60.6 Ų | 60.6 | 55% | 0.545 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.5 | -39.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | D100 | D100-A104 WeakPolarHBondContact O-CB 3.41Å; D100-A104 PolarHBondContact O-N 3.32Å |
| 105 | H | 93.4 | Very high | 93.3 | Very high | 53 Ų | 53 | 60.4 Ų | 60.4 | 25% | 0.245 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 178.2 | -177.5 | -78.5 | 0 | 0 | 0 | 112.3 | E101 L102 E103 S149 F151 | E101-H105 PolarHBondContact O-N 3.39Å; E101-H105 VanDerWaalsContact O-N 3.12Å; L102-H105 PolarHBondContact O-N 3.04Å; E103-H105 VanDerWaalsContact C-N 3.31Å; E103-H105 PolarHBondContact O-N 3.35Å; H105-S149 PolarHBondContact CE1-OG 3.24Å; H105-S149 PolarHBondContact NE2-OG 3.01Å; H105-F151 HydrophobicContact CB-CD2 4.36Å; H105-F151 HydrophobicContact CB-CE2 4.45Å |
| 106 | F | 94.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -91.5 | -6.8 | -177.1 | -73 | -78.6 | 0 | 0 | 0 | 114.3 | V90 L102 E103 G108 C109 I112 I132 F134 A143 L146 L156 V158 | V90-F106 HydrophobicContact CG1-CE2 4.24Å; V90-F106 HydrophobicContact CG1-CZ 4.24Å; V90-F106 HydrophobicContact CG2-CE2 3.92Å; V90-F106 HydrophobicContact CG2-CZ 3.86Å; L102-F106 WeakPolarHBondContact O-CD2 3.42Å; L102-F106 PolarHBondContact O-N 2.85Å; L102-F106 VanDerWaalsContact O-N 3.1Å; E103-F106 PolarHBondContact O-N 3.12Å; F106-G108 PolarHBondContact O-N 3.2Å; F106-G108 VanDerWaalsContact O-N 3.14Å; F106-C109 WeakPolarHBondContact O-CB 3.37Å; F106-C109 PolarHBondContact O-N 3.2Å; F106-I112 HydrophobicContact CB-CD1 3.88Å; F106-I132 HydrophobicContact CB-CD1 4.18Å; F106-I132 HydrophobicContact CD2-CD1 3.16Å; F106-I132 HydrophobicContact CE2-CD1 3.59Å; F106-I132 HydrophobicContact CG-CD1 3.71Å; F106-I132 HydrophobicContact CZ-CD1 4.42Å; F106-F134 HydrophobicContact CB-CE1 4.27Å; F106-F134 HydrophobicContact CB-CZ 4.06Å; F106-F134 HydrophobicContact CD1-CZ 4.33Å; F106-F134 HydrophobicContact CG-CZ 4.46Å; F106-A143 HydrophobicContact CD1-CB 4.03Å; F106-A143 HydrophobicContact CE1-CB 4.21Å; F106-L146 HydrophobicContact CD1-CD1 4.48Å; F106-L156 HydrophobicContact CE2-CD1 4.14Å; F106-L156 HydrophobicContact CZ-CD1 4.15Å; F106-V158 HydrophobicContact CE1-CG1 4.33Å; F106-V158 HydrophobicContact CE1-CG2 4.2Å; F106-V158 HydrophobicContact CZ-CG2 3.94Å |
| 107 | R | 93.6 | Very high | 93.5 | Very high | 189 Ų | 189 | 56.2 Ų | 56.2 | 71% | 0.713 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -29.9 | 178.3 | -172.7 | 173.6 | -177.6 | -179.9 | 2.3 | 113.4 | E103 C109 G110 | E103-R107 VanDerWaalsContact O-CB 3.27Å; E103-R107 WeakPolarHBondContact O-CB 3.41Å; E103-R107 PolarHBondContact O-N 3.01Å; R107-C109 PolarHBondContact O-N 2.85Å; R107-G110 PolarHBondContact O-N 3.41Å |
| 108 | G | 92.1 | Very high | 93.4 | Very high | 81 Ų | 81 | 58.2 Ų | 58.2 | 84% | 0.835 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -20 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | F106 | F106-G108 PolarHBondContact O-N 3.2Å; F106-G108 VanDerWaalsContact O-N 3.14Å |
| 109 | C | 92.7 | Very high | 93.3 | Very high | 24 Ų | 24 | 58.2 Ų | 58.2 | 16% | 0.162 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -31.8 | 178.7 | -60.3 | 0 | 0 | 0 | 0 | 112.3 | F106 R107 F134 A142 A143 L146 | F106-C109 WeakPolarHBondContact O-CB 3.37Å; F106-C109 PolarHBondContact O-N 3.2Å; R107-C109 PolarHBondContact O-N 2.85Å; C109-F134 HydrophobicContact CB-CE1 4.46Å; C109-A142 HydrophobicContact CB-CB 3.86Å; C109-A143 HydrophobicContact CB-CB 4.41Å; C109-L146 WeakPolarHBondContact SG-CD1 3.49Å |
| 110 | G | 94.1 | Very high | 93.1 | Very high | 14 Ų | 14 | 59.2 Ų | 59.2 | 14% | 0.144 | 33% | 0.333 | C | S | . | . | S | Bend | trans | 165.4 | 175.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R107 | R107-G110 PolarHBondContact O-N 3.41Š|
| 111 | P | 94.8 | Very high | 92.8 | Very high | 74 Ų | 74 | 63 Ų | 63 | 48% | 0.481 | 34% | 0.344 | S | S | . | . | trans | -65.8 | 131.5 | 175.8 | 27.2 | -34 | 0 | 0 | 0 | 111.6 | D135 | P111-D135 HydrophobicContact CB-CB 4.32Å; P111-D135 HydrophobicContact CG-CB 3.85Å; P111-D135 PolarHBondContact O-N 2.93Å | ||
| 112 | I | 95 | Very high | 92.5 | Very high | 33 Ų | 33 | 69.1 Ų | 69.1 | 17% | 0.169 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 129.1 | -177.4 | -64.3 | 166.6 | 0 | 0 | 0 | 109.1 | E103 F106 V115 I132 F134 | E103-I112 HydrophobicContact CB-CD1 4.33Å; E103-I112 HydrophobicContact CG-CB 4.37Å; E103-I112 HydrophobicContact CG-CD1 3.75Å; E103-I112 WeakPolarHBondContact O-CD1 3.45Å; F106-I112 HydrophobicContact CB-CD1 3.88Å; I112-V115 HydrophobicContact CG2-CG2 3.85Å; I112-I132 HydrophobicContact CD1-CG2 4.26Å; I112-I132 HydrophobicContact CG1-CG2 4.11Å; I112-I132 HydrophobicContact CG2-CG2 3.89Å; I112-F134 HydrophobicContact CD1-CE1 4.21Å; I112-F134 HydrophobicContact CG1-CD1 3.78Å; I112-F134 HydrophobicContact CG1-CE1 3.6Å |
| 113 | N | 92.9 | Very high | 92.3 | Very high | 58 Ų | 58 | 72.7 Ų | 72.7 | 31% | 0.31 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | -43.9 | 174.5 | -79.8 | -16.9 | 0 | 0 | 0 | 111.6 | E133 | N113-E133 HydrophobicContact CB-CB 4.32Å; N113-E133 HydrophobicContact CB-CG 3.97Å; N113-E133 WeakPolarHBondContact CB-OE1 3.49Å; N113-E133 PolarHBondContact N-O 3.42Å; N113-E133 PolarHBondContact ND2-OE1 3.43Å; N113-E133 VanDerWaalsContact ND2-OE1 3.14Å |
| 114 | R | 91.4 | Very high | 92 | Very high | 76 Ų | 76 | 71.2 Ų | 71.2 | 29% | 0.287 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.2 | 139 | -173.2 | 179.7 | 176.8 | 160.8 | 174.4 | -2.7 | 112.2 | K69 S70 T116 E133 | K69-R114 PolarHBondContact O-NH1 3.24Å; S70-R114 PolarHBondContact O-NH1 3.38Å; R114-T116 PolarHBondContact NE-OG1 3.47Å; R114-E133 HydrophobicContact CB-CB 4.22Å; R114-E133 PolarHBondContact N-O 2.97Å; R114-E133 PolarHBondContact O-N 2.85Å |
| 115 | V | 94.3 | Very high | 91.6 | Very high | 28 Ų | 28 | 74.3 Ų | 74.3 | 17% | 0.17 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 129.7 | 168.4 | -178 | 0 | 0 | 0 | 0 | 109.3 | A99 L102 E103 I112 I117 I132 | A99-V115 HydrophobicContact CB-CB 4.27Å; A99-V115 HydrophobicContact CB-CG1 4.2Å; L102-V115 HydrophobicContact CB-CG1 4.16Å; L102-V115 HydrophobicContact CD1-CG1 4.01Å; E103-V115 HydrophobicContact CB-CG2 4.32Å; I112-V115 HydrophobicContact CG2-CG2 3.85Å; V115-I117 HydrophobicContact CG1-CG1 4.45Å; V115-I132 HydrophobicContact CG1-CG1 4.38Å; V115-I132 HydrophobicContact CG2-CG1 4.4Å; V115-I132 HydrophobicContact CG2-CG2 4.48Å |
| 116 | T | 93 | Very high | 91.3 | Very high | 41 Ų | 41 | 73.2 Ų | 73.2 | 25% | 0.252 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 107.1 | 179.1 | -56.5 | 0 | 0 | 0 | 0 | 110.1 | R114 L118 A130 Y131 | R114-T116 PolarHBondContact NE-OG1 3.47Å; T116-L118 HydrophobicContact CG2-CD1 4.13Å; T116-A130 CarbonylContact O-C 3.49Å; T116-A130 VanDerWaalsContact O-CA 3.24Å; T116-A130 WeakPolarHBondContact O-CA 3.48Å; T116-Y131 PolarHBondContact N-O 2.93Å; T116-Y131 PolarHBondContact O-N 2.93Å |
| 117 | I | 92.7 | Very high | 91 | Very high | 49 Ų | 49 | 80 Ų | 80 | 25% | 0.251 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 127.3 | 174.2 | -61.7 | 169.5 | 0 | 0 | 0 | 108.8 | A99 L102 V115 A130 | A99-I117 HydrophobicContact CB-CD1 4.3Å; L102-I117 HydrophobicContact CD1-CD1 4.01Å; L102-I117 HydrophobicContact CD1-CG1 3.89Å; V115-I117 HydrophobicContact CG1-CG1 4.45Å; I117-A130 HydrophobicContact CG1-CB 4.2Å |
| 118 | L | 90.5 | Very high | 91 | Very high | 56 Ų | 56 | 71.4 Ų | 71.4 | 29% | 0.293 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 119.5 | 178.7 | -81.2 | 89.9 | 0 | 0 | 0 | 111.8 | T116 K127 F129 Y131 | T116-L118 HydrophobicContact CG2-CD1 4.13Å; L118-K127 PolarHBondContact O-N 3.38Å; L118-F129 HydrophobicContact CB-CD1 4.42Å; L118-F129 HydrophobicContact CB-CD2 4.11Å; L118-F129 HydrophobicContact CB-CE1 3.77Å; L118-F129 HydrophobicContact CB-CE2 3.47Å; L118-F129 VanDerWaalsContact CB-CE2 3.47Å; L118-F129 HydrophobicContact CB-CZ 3.27Å; L118-F129 HydrophobicContact CD1-CD2 4.12Å; L118-F129 HydrophobicContact CD1-CE2 3.63Å; L118-F129 HydrophobicContact CD1-CZ 4.28Å; L118-F129 HydrophobicContact CD2-CE2 3.53Å; L118-F129 HydrophobicContact CD2-CZ 3.52Å; L118-F129 HydrophobicContact CG-CE2 3.68Å; L118-F129 HydrophobicContact CG-CZ 3.82Å; L118-F129 PolarHBondContact N-O 2.91Å; L118-Y131 HydrophobicContact CD1-CD2 3.37Å; L118-Y131 HydrophobicContact CD1-CE2 3.4Å; L118-Y131 HydrophobicContact CD2-CE2 4.34Å |
| 119 | C | 89.8 | Confident | 91.1 | Very high | 68 Ų | 68 | 68.6 Ų | 68.6 | 46% | 0.459 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 149.4 | 173 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | K121 | C119-K121 PolarHBondContact O-N 3.49Å |
| 120 | N | 90 | Very high | 91.2 | Very high | 64 Ų | 64 | 67.5 Ų | 67.5 | 34% | 0.342 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -68.1 | 125.2 | 173 | -176.4 | -1.3 | 0 | 0 | 0 | 109.5 | F122 T123 G124 H125 | N120-F122 PolarHBondContact O-N 2.85Å; N120-F122 WeakPolarHBondContact OD1-CD2 3.5Å; N120-F122 PolarHBondContact OD1-N 2.92Å; N120-T123 WeakPolarHBondContact CB-OG1 3.5Å; N120-T123 PolarHBondContact ND2-OG1 3.49Å; N120-G124 VanDerWaalsContact O-CA 3.29Å; N120-G124 WeakPolarHBondContact O-CA 3.24Å; N120-G124 PolarHBondContact O-N 3.37Å; N120-H125 WeakPolarHBondContact CB-O 3.47Å; N120-H125 PolarHBondContact N-O 3.29Å |
| 121 | K | 88.3 | Confident | 91.3 | Very high | 201 Ų | 201 | 70.1 Ų | 70.1 | 87% | 0.874 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -26.8 | -176.7 | -60.5 | 179.2 | -179.4 | -174.1 | 0 | 113.5 | C119 | C119-K121 PolarHBondContact O-N 3.49Š|
| 122 | F | 87.6 | Confident | 91.3 | Very high | 194 Ų | 194 | 66.6 Ų | 66.6 | 85% | 0.851 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.5 | -37.8 | -175.4 | -58 | -71.6 | 0 | 0 | 0 | 113.2 | N120 | N120-F122 PolarHBondContact O-N 2.85Å; N120-F122 WeakPolarHBondContact OD1-CD2 3.5Å; N120-F122 PolarHBondContact OD1-N 2.92Å |
| 123 | T | 89.4 | Confident | 91.3 | Very high | 75 Ų | 75 | 66.6 Ų | 66.6 | 46% | 0.46 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -12.6 | -175.8 | 59.2 | 0 | 0 | 0 | 0 | 113.3 | N120 H125 | N120-T123 WeakPolarHBondContact CB-OG1 3.5Å; N120-T123 PolarHBondContact ND2-OG1 3.49Å; T123-H125 PolarHBondContact O-N 3.36Å; T123-H125 PolarHBondContact OG1-N 2.9Å |
| 124 | G | 87.4 | Confident | 91.4 | Very high | 52 Ų | 52 | 63.8 Ų | 63.8 | 54% | 0.536 | 32% | 0.324 | S | S | . | . | trans | 69.2 | -13.8 | -170 | 0 | 0 | 0 | 0 | 0 | 114 | N120 | N120-G124 VanDerWaalsContact O-CA 3.29Å; N120-G124 WeakPolarHBondContact O-CA 3.24Å; N120-G124 PolarHBondContact O-N 3.37Å | ||
| 125 | H | 85.2 | Confident | 91.5 | Very high | 130 Ų | 130 | 64 Ų | 64 | 60% | 0.602 | 33% | 0.331 | S | S | * | . | trans | -65.5 | 136.2 | -179.4 | -64.4 | -49.8 | 0 | 0 | 0 | 111.2 | N120 T123 K127 | N120-H125 WeakPolarHBondContact CB-O 3.47Å; N120-H125 PolarHBondContact N-O 3.29Å; T123-H125 PolarHBondContact O-N 3.36Å; T123-H125 PolarHBondContact OG1-N 2.9Å; H125-K127 PolarHBondContact O-N 3.16Å | ||
| 126 | P | 87.5 | Confident | 91.5 | Very high | 30 Ų | 30 | 65.4 Ų | 65.4 | 20% | 0.195 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 137.1 | 174.4 | 17.8 | -22.7 | 0 | 0 | 0 | 109.8 | Y95 G128 | Y95-P126 HydrophobicContact CD1-CG 4.3Å; Y95-P126 WeakPolarHBondContact CD1-O 3.39Å; Y95-P126 WeakPolarHBondContact O-CG 3.49Å; P126-G128 PolarHBondContact O-N 3.46Å |
| 127 | K | 89.8 | Confident | 91.5 | Very high | 142 Ų | 142 | 70 Ų | 70 | 62% | 0.617 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84 | -3.3 | -177.6 | -178 | 166.3 | 141.3 | -157.6 | 0 | 112.3 | L118 H125 F129 | L118-K127 PolarHBondContact O-N 3.38Å; H125-K127 PolarHBondContact O-N 3.16Å; K127-F129 HydrophobicContact CB-CD1 3.74Å; K127-F129 HydrophobicContact CB-CE1 3.5Å; K127-F129 VanDerWaalsContact CB-CE1 3.5Å; K127-F129 HydrophobicContact CD-CD1 4.14Å; K127-F129 HydrophobicContact CD-CE1 3.42Å; K127-F129 VanDerWaalsContact CD-CE1 3.42Å; K127-F129 HydrophobicContact CD-CZ 4.35Å; K127-F129 HydrophobicContact CG-CD1 3.68Å; K127-F129 HydrophobicContact CG-CE1 3.43Å; K127-F129 VanDerWaalsContact CG-CE1 3.43Å |
| 128 | G | 92.6 | Very high | 91.6 | Very high | 9 Ų | 9 | 73.2 Ų | 73.2 | 9% | 0.093 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 82.7 | 29.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | N92 V93 P126 | N92-G128 PolarHBondContact N-O 3.3Å; V93-G128 PolarHBondContact N-O 3.48Å; V93-G128 VanDerWaalsContact O-CA 3.28Å; V93-G128 WeakPolarHBondContact O-CA 3.29Å; P126-G128 PolarHBondContact O-N 3.46Å |
| 129 | F | 94.2 | Very high | 91.8 | Very high | 23 Ų | 23 | 70.5 Ų | 70.5 | 10% | 0.101 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 151.1 | 171.7 | 72.2 | -80.2 | 0 | 0 | 0 | 112 | Y89 V90 L118 K127 Y131 | Y89-F129 HydrophobicContact CD2-CD2 4.49Å; Y89-F129 HydrophobicContact CE2-CB 3.76Å; Y89-F129 AromaticContact CE2-CD2 3.9Å; Y89-F129 HydrophobicContact CE2-CD2 3.9Å; Y89-F129 HydrophobicContact CE2-CG 4.13Å; V90-F129 CarbonylContact O-C 3.51Å; V90-F129 WeakPolarHBondContact O-CA 2.97Å; V90-F129 WeakPolarHBondContact O-CB 3.32Å; L118-F129 HydrophobicContact CB-CD1 4.42Å; L118-F129 HydrophobicContact CB-CD2 4.11Å; L118-F129 HydrophobicContact CB-CE1 3.77Å; L118-F129 HydrophobicContact CB-CE2 3.47Å; L118-F129 VanDerWaalsContact CB-CE2 3.47Å; L118-F129 HydrophobicContact CB-CZ 3.27Å; L118-F129 HydrophobicContact CD1-CD2 4.12Å; L118-F129 HydrophobicContact CD1-CE2 3.63Å; L118-F129 HydrophobicContact CD1-CZ 4.28Å; L118-F129 HydrophobicContact CD2-CE2 3.53Å; L118-F129 HydrophobicContact CD2-CZ 3.52Å; L118-F129 HydrophobicContact CG-CE2 3.68Å; L118-F129 HydrophobicContact CG-CZ 3.82Å; L118-F129 PolarHBondContact N-O 2.91Å; K127-F129 HydrophobicContact CB-CD1 3.74Å; K127-F129 HydrophobicContact CB-CE1 3.5Å; K127-F129 VanDerWaalsContact CB-CE1 3.5Å; K127-F129 HydrophobicContact CD-CD1 4.14Å; K127-F129 HydrophobicContact CD-CE1 3.42Å; K127-F129 VanDerWaalsContact CD-CE1 3.42Å; K127-F129 HydrophobicContact CD-CZ 4.35Å; K127-F129 HydrophobicContact CG-CD1 3.68Å; K127-F129 HydrophobicContact CG-CE1 3.43Å; K127-F129 VanDerWaalsContact CG-CE1 3.43Å; F129-Y131 HydrophobicContact CD2-CE2 4.41Å; F129-Y131 HydrophobicContact CE2-CE2 4.08Å |
| 130 | A | 95 | Very high | 92 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 159.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V90 V93 L102 T116 I117 | V90-A130 PolarHBondContact N-O 3.43Å; V90-A130 PolarHBondContact O-N 3.21Å; V93-A130 HydrophobicContact CG2-CB 4.43Å; L102-A130 HydrophobicContact CD1-CB 3.75Å; T116-A130 CarbonylContact O-C 3.49Å; T116-A130 VanDerWaalsContact O-CA 3.24Å; T116-A130 WeakPolarHBondContact O-CA 3.48Å; I117-A130 HydrophobicContact CG1-CB 4.2Å |
| 131 | Y | 95.4 | Very high | 92.2 | Very high | 69 Ų | 69 | 71.5 Ų | 71.5 | 27% | 0.271 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 136.6 | 166.5 | -60.8 | -69.5 | 0 | 0 | 0 | 109.7 | V88 Y89 T116 L118 F129 K161 | V88-Y131 VanDerWaalsContact O-CA 3.3Å; V88-Y131 WeakPolarHBondContact O-CA 3.06Å; Y89-Y131 HydrophobicContact CD2-CD1 4.34Å; Y89-Y131 AromaticContact CD2-CE1 3.7Å; Y89-Y131 HydrophobicContact CD2-CE1 3.7Å; Y89-Y131 HydrophobicContact CG-CE1 4.41Å; T116-Y131 PolarHBondContact N-O 2.93Å; T116-Y131 PolarHBondContact O-N 2.93Å; L118-Y131 HydrophobicContact CD1-CD2 3.37Å; L118-Y131 HydrophobicContact CD1-CE2 3.4Å; L118-Y131 HydrophobicContact CD2-CE2 4.34Å; F129-Y131 HydrophobicContact CD2-CE2 4.41Å; F129-Y131 HydrophobicContact CE2-CE2 4.08Å; Y131-K161 HydrophobicContact CD1-CD 4.01Å; Y131-K161 HydrophobicContact CD1-CG 4.03Å; Y131-K161 HydrophobicContact CE1-CD 4.4Å; Y131-K161 HydrophobicContact CE1-CG 4.07Å |
| 132 | I | 95.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 63.8 Ų | 63.8 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 123.7 | 176.8 | -57.5 | 179.7 | 0 | 0 | 0 | 107.4 | S87 V88 V90 F106 I112 V115 F134 | S87-I132 CarbonylContact C-O 3.57Å; S87-I132 WeakPolarHBondContact CA-O 3.06Å; V88-I132 PolarHBondContact N-O 3.3Å; V88-I132 PolarHBondContact O-N 3.44Å; V90-I132 HydrophobicContact CG2-CD1 3.79Å; V90-I132 HydrophobicContact CG2-CG1 4.16Å; F106-I132 HydrophobicContact CB-CD1 4.18Å; F106-I132 HydrophobicContact CD2-CD1 3.16Å; F106-I132 HydrophobicContact CE2-CD1 3.59Å; F106-I132 HydrophobicContact CG-CD1 3.71Å; F106-I132 HydrophobicContact CZ-CD1 4.42Å; I112-I132 HydrophobicContact CD1-CG2 4.26Å; I112-I132 HydrophobicContact CG1-CG2 4.11Å; I112-I132 HydrophobicContact CG2-CG2 3.89Å; V115-I132 HydrophobicContact CG1-CG1 4.38Å; V115-I132 HydrophobicContact CG2-CG1 4.4Å; V115-I132 HydrophobicContact CG2-CG2 4.48Å; I132-F134 HydrophobicContact CB-CE2 4.36Å; I132-F134 HydrophobicContact CG2-CD2 4.39Å; I132-F134 HydrophobicContact CG2-CE1 4.08Å; I132-F134 HydrophobicContact CG2-CE2 3.9Å; I132-F134 HydrophobicContact CG2-CZ 3.74Å |
| 133 | E | 95 | Very high | 92.9 | Very high | 32 Ų | 32 | 54.6 Ų | 54.6 | 15% | 0.15 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 122.4 | 173.8 | -176.8 | -167.8 | 145.8 | 0 | 0 | 108.7 | V83 N113 R114 | V83-E133 HydrophobicContact CG1-CG 4.05Å; N113-E133 HydrophobicContact CB-CB 4.32Å; N113-E133 HydrophobicContact CB-CG 3.97Å; N113-E133 WeakPolarHBondContact CB-OE1 3.49Å; N113-E133 PolarHBondContact N-O 3.42Å; N113-E133 PolarHBondContact ND2-OE1 3.43Å; N113-E133 VanDerWaalsContact ND2-OE1 3.14Å; R114-E133 HydrophobicContact CB-CB 4.22Å; R114-E133 PolarHBondContact N-O 2.97Å; R114-E133 PolarHBondContact O-N 2.85Å |
| 134 | F | 96 | Very high | 93.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 160 | 173.7 | -65.4 | -78.2 | 0 | 0 | 0 | 111.3 | R86 V88 F106 C109 I112 I132 A139 V140 A143 | R86-F134 WeakPolarHBondContact CB-O 3.41Å; R86-F134 PolarHBondContact O-N 3.35Å; V88-F134 HydrophobicContact CB-CE2 4.09Å; V88-F134 HydrophobicContact CG2-CD2 4.03Å; V88-F134 HydrophobicContact CG2-CE2 3.63Å; F106-F134 HydrophobicContact CB-CE1 4.27Å; F106-F134 HydrophobicContact CB-CZ 4.06Å; F106-F134 HydrophobicContact CD1-CZ 4.33Å; F106-F134 HydrophobicContact CG-CZ 4.46Å; C109-F134 HydrophobicContact CB-CE1 4.46Å; I112-F134 HydrophobicContact CD1-CE1 4.21Å; I112-F134 HydrophobicContact CG1-CD1 3.78Å; I112-F134 HydrophobicContact CG1-CE1 3.6Å; I132-F134 HydrophobicContact CB-CE2 4.36Å; I132-F134 HydrophobicContact CG2-CD2 4.39Å; I132-F134 HydrophobicContact CG2-CE1 4.08Å; I132-F134 HydrophobicContact CG2-CE2 3.9Å; I132-F134 HydrophobicContact CG2-CZ 3.74Å; F134-A139 HydrophobicContact CB-CB 3.72Å; F134-A139 HydrophobicContact CD1-CB 3.66Å; F134-A139 HydrophobicContact CD2-CB 4.37Å; F134-A139 HydrophobicContact CE1-CB 4.34Å; F134-A139 HydrophobicContact CG-CB 3.66Å; F134-V140 HydrophobicContact CD2-CG2 4.04Å; F134-A143 HydrophobicContact CE2-CB 3.77Å; F134-A143 HydrophobicContact CZ-CB 3.79Å |
| 135 | D | 93.4 | Very high | 93.5 | Very high | 81 Ų | 81 | 55.6 Ų | 55.6 | 43% | 0.433 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -75.6 | -34 | 173.7 | -161 | 28.1 | 0 | 0 | 0 | 112.2 | R86 P111 | R86-D135 WeakPolarHBondContact CD-O 3.33Å; R86-D135 PolarHBondContact NH1-O 3.34Å; R86-D135 IonicContact NH1-OD1 3.25Å; R86-D135 PolarHBondContact NH1-OD1 3.03Å; P111-D135 HydrophobicContact CB-CB 4.32Å; P111-D135 HydrophobicContact CG-CB 3.85Å; P111-D135 PolarHBondContact O-N 2.93Å |
| 136 | T | 93.5 | Very high | 93.8 | Very high | 56 Ų | 56 | 52.6 Ų | 52.6 | 34% | 0.344 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -113.7 | 154.4 | -178.1 | 60.9 | 0 | 0 | 0 | 0 | 112.1 | A139 | T136-A139 WeakPolarHBondContact OG1-CB 3.29Å; T136-A139 PolarHBondContact OG1-N 2.92Å |
| 137 | R | 92.9 | Very high | 94.1 | Very high | 137 Ų | 137 | 54.1 Ų | 54.1 | 52% | 0.517 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -71.1 | -34.8 | 172.9 | -66.9 | 179.7 | -175.7 | 175.4 | 2.8 | 111.3 | R86 A139 V140 E141 | R86-R137 HydrophobicContact CG-CG 3.72Å; R137-A139 PolarHBondContact O-N 3.29Å; R137-V140 WeakPolarHBondContact O-CA 3.42Å; R137-V140 WeakPolarHBondContact O-CB 3.36Å; R137-V140 PolarHBondContact O-N 3.4Å; R137-E141 PolarHBondContact O-N 3.05Å |
| 138 | D | 94.3 | Very high | 94.2 | Very high | 117 Ų | 117 | 52 Ų | 52 | 63% | 0.626 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -59.5 | -33.8 | 178.3 | -52.4 | -13.6 | 0 | 0 | 0 | 112.1 | V140 E141 A142 | D138-V140 PolarHBondContact O-N 3.35Å; D138-E141 PolarHBondContact O-N 3.42Å; D138-A142 PolarHBondContact O-N 3.04Å |
| 139 | A | 94.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.9 | -28.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | F134 T136 R137 A143 | F134-A139 HydrophobicContact CB-CB 3.72Å; F134-A139 HydrophobicContact CD1-CB 3.66Å; F134-A139 HydrophobicContact CD2-CB 4.37Å; F134-A139 HydrophobicContact CE1-CB 4.34Å; F134-A139 HydrophobicContact CG-CB 3.66Å; T136-A139 WeakPolarHBondContact OG1-CB 3.29Å; T136-A139 PolarHBondContact OG1-N 2.92Å; R137-A139 PolarHBondContact O-N 3.29Å; A139-A143 VanDerWaalsContact O-CB 3.27Å; A139-A143 WeakPolarHBondContact O-CB 3.43Å; A139-A143 PolarHBondContact O-N 3.21Å |
| 140 | V | 94.7 | Very high | 94.1 | Very high | 11 Ų | 11 | 56.3 Ų | 56.3 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.8 | -44.1 | 173.6 | 172.3 | 0 | 0 | 0 | 0 | 110.6 | R86 V88 F134 R137 D138 A143 I144 | R86-V140 VanDerWaalsContact C-CG2 3.42Å; R86-V140 WeakPolarHBondContact O-CG2 3.28Å; V88-V140 HydrophobicContact CG2-CB 4.05Å; V88-V140 HydrophobicContact CG2-CG1 3.68Å; V88-V140 HydrophobicContact CG2-CG2 3.98Å; F134-V140 HydrophobicContact CD2-CG2 4.04Å; R137-V140 WeakPolarHBondContact O-CA 3.42Å; R137-V140 WeakPolarHBondContact O-CB 3.36Å; R137-V140 PolarHBondContact O-N 3.4Å; D138-V140 PolarHBondContact O-N 3.35Å; V140-A143 PolarHBondContact O-N 2.95Å; V140-I144 HydrophobicContact CG1-CD1 3.9Å; V140-I144 WeakPolarHBondContact O-CD1 3.34Å; V140-I144 VanDerWaalsContact O-CG1 3.27Å; V140-I144 WeakPolarHBondContact O-CG1 3.49Å; V140-I144 PolarHBondContact O-N 3.48Å |
| 141 | E | 95 | Very high | 93.9 | Very high | 141 Ų | 141 | 57.1 Ų | 57.1 | 66% | 0.659 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.5 | -43.2 | 178.1 | -61.4 | -173.5 | 172.6 | 0 | 0 | 111.3 | R137 D138 A143 I144 A145 | R137-E141 PolarHBondContact O-N 3.05Å; D138-E141 PolarHBondContact O-N 3.42Å; E141-A143 VanDerWaalsContact C-N 3.34Å; E141-A143 PolarHBondContact O-N 3.04Å; E141-I144 PolarHBondContact O-N 3.09Å; E141-A145 PolarHBondContact O-N 3.34Å; E141-A145 VanDerWaalsContact O-N 3.12Å |
| 142 | A | 95 | Very high | 93.7 | Very high | 40 Ų | 40 | 59.1 Ų | 59.1 | 33% | 0.331 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.4 | -39.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | C109 D138 A145 L146 | C109-A142 HydrophobicContact CB-CB 3.86Å; D138-A142 PolarHBondContact O-N 3.04Å; A142-A145 WeakPolarHBondContact O-CB 3.31Å; A142-A145 PolarHBondContact O-N 3.34Å; A142-L146 PolarHBondContact O-N 3.25Å |
| 143 | A | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -66.5 | -38.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | V88 F106 C109 F134 A139 V140 E141 A145 L146 V158 | V88-A143 HydrophobicContact CG1-CB 4.5Å; V88-A143 HydrophobicContact CG2-CB 4.1Å; F106-A143 HydrophobicContact CD1-CB 4.03Å; F106-A143 HydrophobicContact CE1-CB 4.21Å; C109-A143 HydrophobicContact CB-CB 4.41Å; F134-A143 HydrophobicContact CE2-CB 3.77Å; F134-A143 HydrophobicContact CZ-CB 3.79Å; A139-A143 VanDerWaalsContact O-CB 3.27Å; A139-A143 WeakPolarHBondContact O-CB 3.43Å; A139-A143 PolarHBondContact O-N 3.21Å; V140-A143 PolarHBondContact O-N 2.95Å; E141-A143 VanDerWaalsContact C-N 3.34Å; E141-A143 PolarHBondContact O-N 3.04Å; A143-A145 PolarHBondContact O-N 2.93Å; A143-L146 WeakPolarHBondContact O-CB 3.46Å; A143-L146 PolarHBondContact O-N 2.96Å; A143-V158 VanDerWaalsContact O-CG1 3.32Å; A143-V158 WeakPolarHBondContact O-CG1 3.22Å |
| 144 | I | 94.8 | Very high | 93.4 | Very high | 64 Ų | 64 | 66.5 Ų | 66.5 | 33% | 0.328 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.4 | -33.6 | 173.7 | -68 | 160.1 | 0 | 0 | 0 | 110.9 | V140 E141 L146 D147 P160 | V140-I144 HydrophobicContact CG1-CD1 3.9Å; V140-I144 WeakPolarHBondContact O-CD1 3.34Å; V140-I144 VanDerWaalsContact O-CG1 3.27Å; V140-I144 WeakPolarHBondContact O-CG1 3.49Å; V140-I144 PolarHBondContact O-N 3.48Å; E141-I144 PolarHBondContact O-N 3.09Å; I144-L146 PolarHBondContact O-N 2.97Å; I144-D147 WeakPolarHBondContact O-CB 3.49Å; I144-D147 PolarHBondContact O-N 3.31Å; I144-P160 HydrophobicContact CD1-CB 4.22Å; I144-P160 HydrophobicContact CD1-CG 4.27Å |
| 145 | A | 94.4 | Very high | 93.4 | Very high | 85 Ų | 85 | 72.5 Ų | 72.5 | 70% | 0.702 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -17 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E141 A142 A143 D147 | E141-A145 PolarHBondContact O-N 3.34Å; E141-A145 VanDerWaalsContact O-N 3.12Å; A142-A145 WeakPolarHBondContact O-CB 3.31Å; A142-A145 PolarHBondContact O-N 3.34Å; A143-A145 PolarHBondContact O-N 2.93Å; A145-D147 VanDerWaalsContact C-N 3.31Å |
| 146 | L | 91.8 | Very high | 93.4 | Very high | 66 Ų | 66 | 68.7 Ų | 68.7 | 35% | 0.346 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 19 | 170.7 | -63.8 | -175.2 | 0 | 0 | 0 | 113.3 | F106 C109 A142 A143 I144 S149 | F106-L146 HydrophobicContact CD1-CD1 4.48Å; C109-L146 WeakPolarHBondContact SG-CD1 3.49Å; A142-L146 PolarHBondContact O-N 3.25Å; A143-L146 WeakPolarHBondContact O-CB 3.46Å; A143-L146 PolarHBondContact O-N 2.96Å; I144-L146 PolarHBondContact O-N 2.97Å; L146-S149 WeakPolarHBondContact O-CB 3.13Å; L146-S149 PolarHBondContact O-N 2.96Å; L146-S149 PolarHBondContact O-OG 3.35Å |
| 147 | D | 93.7 | Very high | 93.6 | Very high | 63 Ų | 63 | 71.4 Ų | 71.4 | 34% | 0.337 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | 143.8 | 168.6 | -162.8 | 24.6 | 0 | 0 | 0 | 110.5 | I144 A145 S149 K157 V158 | I144-D147 WeakPolarHBondContact O-CB 3.49Å; I144-D147 PolarHBondContact O-N 3.31Å; A145-D147 VanDerWaalsContact C-N 3.31Å; D147-S149 PolarHBondContact O-N 3.37Å; D147-K157 WeakPolarHBondContact OD1-CA 3.47Å; D147-V158 HydrophobicContact CB-CB 4.36Å; D147-V158 PolarHBondContact OD1-N 3.14Å |
| 148 | D | 92.7 | Very high | 93.7 | Very high | 97 Ų | 97 | 64.9 Ų | 64.9 | 52% | 0.519 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.1 | 14.2 | -174.1 | -60.8 | -40.7 | 0 | 0 | 0 | 116.5 | L156 | D148-L156 VanDerWaalsContact CA-O 3.22Å; D148-L156 WeakPolarHBondContact CA-O 3.43Å; D148-L156 PolarHBondContact N-O 2.97Å |
| 149 | S | 92.5 | Very high | 93.8 | Very high | 22 Ų | 22 | 62.7 Ų | 62.7 | 15% | 0.154 | 34% | 0.344 | C | S | . | . | trans | -61.7 | 144.7 | 174.1 | 80.3 | 0 | 0 | 0 | 0 | 112.1 | H105 L146 D147 F151 Q155 L156 | H105-S149 PolarHBondContact CE1-OG 3.24Å; H105-S149 PolarHBondContact NE2-OG 3.01Å; L146-S149 WeakPolarHBondContact O-CB 3.13Å; L146-S149 PolarHBondContact O-N 2.96Å; L146-S149 PolarHBondContact O-OG 3.35Å; D147-S149 PolarHBondContact O-N 3.37Å; S149-F151 PolarHBondContact O-N 3.01Å; S149-Q155 WeakPolarHBondContact O-CA 3.46Å; S149-L156 PolarHBondContact O-N 3.37Å | ||
| 150 | S | 91.5 | Very high | 93.7 | Very high | 101 Ų | 101 | 66.1 Ų | 66.1 | 71% | 0.706 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 115.7 | 179.5 | 60.4 | 0 | 0 | 0 | 0 | 111.5 | ||
| 151 | F | 91.7 | Very high | 93.7 | Very high | 16 Ų | 16 | 67.8 Ų | 67.8 | 7% | 0.07 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 120.3 | 175.8 | -178.3 | -97.5 | 0 | 0 | 0 | 110 | V93 E101 L102 H105 S149 S153 R154 L156 | V93-F151 HydrophobicContact CG1-CE1 4.46Å; E101-F151 HydrophobicContact CB-CE2 4.1Å; E101-F151 HydrophobicContact CB-CZ 3.86Å; L102-F151 HydrophobicContact CD2-CE1 4.2Å; L102-F151 HydrophobicContact CD2-CE2 4.39Å; L102-F151 HydrophobicContact CD2-CZ 4.01Å; L102-F151 HydrophobicContact CG-CZ 4.5Å; H105-F151 HydrophobicContact CB-CD2 4.36Å; H105-F151 HydrophobicContact CB-CE2 4.45Å; S149-F151 PolarHBondContact O-N 3.01Å; F151-S153 PolarHBondContact O-N 3.42Å; F151-R154 PolarHBondContact N-O 3.02Å; F151-R154 PolarHBondContact O-N 3.45Å; F151-L156 HydrophobicContact CB-CD1 3.62Å; F151-L156 HydrophobicContact CB-CD2 3.81Å; F151-L156 HydrophobicContact CB-CG 3.57Å; F151-L156 HydrophobicContact CD1-CD2 4.07Å; F151-L156 HydrophobicContact CG-CD1 4.05Å; F151-L156 HydrophobicContact CG-CD2 4.2Å; F151-L156 HydrophobicContact CG-CG 4.32Å |
| 152 | R | 90.8 | Very high | 93.3 | Very high | 111 Ų | 111 | 69.2 Ų | 69.2 | 42% | 0.419 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 44.9 | -178.2 | -62.3 | 173.9 | 68.6 | 110.6 | 2.3 | 113 | D94 G96 E101 R154 | D94-R152 HydrophobicContact CB-CB 4.07Å; D94-R152 IonicContact OD2-CZ 2.63Å; D94-R152 IonicContact OD2-NE 3.55Å; D94-R152 PolarHBondContact OD2-NE 2.88Å; D94-R152 IonicContact OD2-NH2 3.56Å; D94-R152 PolarHBondContact OD2-NH2 2.8Å; G96-R152 PolarHBondContact O-NH1 3.34Å; E101-R152 VanDerWaalsContact CD-NH1 3.27Å; E101-R152 IonicContact OE1-NH1 2.75Å; E101-R152 PolarHBondContact OE1-NH1 3.32Å; E101-R152 WeakPolarHBondContact OE2-CD 3.28Å; E101-R152 IonicContact OE2-CZ 3.44Å; E101-R152 IonicContact OE2-NE 3.4Å; E101-R152 IonicContact OE2-NH1 2.93Å; E101-R152 PolarHBondContact OE2-NH1 2.94Å; R152-R154 PolarHBondContact O-N 2.94Å |
| 153 | S | 90.2 | Very high | 92.9 | Very high | 131 Ų | 131 | 69.7 Ų | 69.7 | 92% | 0.916 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 16.6 | -178.4 | -46.6 | 0 | 0 | 0 | 0 | 115.6 | F151 | F151-S153 PolarHBondContact O-N 3.42Š|
| 154 | R | 92.8 | Very high | 92.1 | Very high | 58 Ų | 58 | 76.4 Ų | 76.4 | 22% | 0.219 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 144.4 | 175 | -62 | 171.7 | 68.3 | 157 | 0.9 | 109.1 | N92 D94 F151 R152 | N92-R154 PolarHBondContact O-NE 3.34Å; N92-R154 PolarHBondContact OD1-NH2 2.81Å; D94-R154 IonicContact OD1-NH1 2.84Å; F151-R154 PolarHBondContact N-O 3.02Å; F151-R154 PolarHBondContact O-N 3.45Å; R152-R154 PolarHBondContact O-N 2.94Å |
| 155 | Q | 95.2 | Very high | 91.3 | Very high | 125 Ų | 125 | 77 Ų | 77 | 58% | 0.584 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 126.4 | 173.2 | -71.1 | 172.9 | -27.8 | 0 | 0 | 109.4 | N92 S149 | N92-Q155 PolarHBondContact ND2-O 3.46Å; S149-Q155 WeakPolarHBondContact O-CA 3.46Å |
| 156 | L | 95.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 78.5 Ų | 78.5 | 1% | 0.005 | 42% | 0.416 | C | S | . | . | trans | -76.4 | 147.3 | 176.2 | -63 | -177.9 | 0 | 0 | 0 | 110.3 | V90 V93 F106 D148 S149 F151 V158 | V90-L156 HydrophobicContact CG1-CB 4.31Å; V90-L156 HydrophobicContact CG1-CD1 4.09Å; V90-L156 HydrophobicContact CG1-CD2 4.14Å; V90-L156 HydrophobicContact CG1-CG 4.42Å; V93-L156 HydrophobicContact CG2-CD2 4.17Å; F106-L156 HydrophobicContact CE2-CD1 4.14Å; F106-L156 HydrophobicContact CZ-CD1 4.15Å; D148-L156 VanDerWaalsContact CA-O 3.22Å; D148-L156 WeakPolarHBondContact CA-O 3.43Å; D148-L156 PolarHBondContact N-O 2.97Å; S149-L156 PolarHBondContact O-N 3.37Å; F151-L156 HydrophobicContact CB-CD1 3.62Å; F151-L156 HydrophobicContact CB-CD2 3.81Å; F151-L156 HydrophobicContact CB-CG 3.57Å; F151-L156 HydrophobicContact CD1-CD2 4.07Å; F151-L156 HydrophobicContact CG-CD1 4.05Å; F151-L156 HydrophobicContact CG-CD2 4.2Å; F151-L156 HydrophobicContact CG-CG 4.32Å; L156-V158 HydrophobicContact CB-CG2 4.25Å | ||
| 157 | K | 96.1 | Very high | 89.5 | Confident | 113 Ų | 113 | 79.4 Ų | 79.4 | 49% | 0.491 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 113.3 | 169.7 | -178.8 | 166.3 | -175.1 | 163.2 | 0 | 109.6 | V90 G91 D147 L159 | V90-K157 CarbonylContact C-O 3.49Å; V90-K157 WeakPolarHBondContact CA-O 3.27Å; G91-K157 PolarHBondContact N-O 3.31Å; G91-K157 PolarHBondContact O-N 3.41Å; D147-K157 WeakPolarHBondContact OD1-CA 3.47Å; K157-L159 HydrophobicContact CG-CG 4.44Å |
| 158 | V | 96.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 118.3 | -172.9 | -168.9 | 0 | 0 | 0 | 0 | 110 | V88 Y89 F106 A143 D147 L156 | V88-V158 HydrophobicContact CG1-CG1 3.23Å; Y89-V158 WeakPolarHBondContact O-CA 3.48Å; F106-V158 HydrophobicContact CE1-CG1 4.33Å; F106-V158 HydrophobicContact CE1-CG2 4.2Å; F106-V158 HydrophobicContact CZ-CG2 3.94Å; A143-V158 VanDerWaalsContact O-CG1 3.32Å; A143-V158 WeakPolarHBondContact O-CG1 3.22Å; D147-V158 HydrophobicContact CB-CB 4.36Å; D147-V158 PolarHBondContact OD1-N 3.14Å; L156-V158 HydrophobicContact CB-CG2 4.25Å |
| 159 | L | 95.2 | Very high | 86.8 | Confident | 71 Ų | 71 | 79.6 Ų | 79.6 | 37% | 0.372 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 151.5 | -179.8 | -66.2 | 176.5 | 0 | 0 | 0 | 110.5 | V88 Y89 K157 K161 | V88-L159 WeakPolarHBondContact CG1-O 3.47Å; Y89-L159 WeakPolarHBondContact CA-O 3.31Å; Y89-L159 WeakPolarHBondContact CB-O 3.26Å; Y89-L159 HydrophobicContact CD1-CB 4.21Å; Y89-L159 PolarHBondContact N-O 3Å; Y89-L159 PolarHBondContact O-N 3.01Å; K157-L159 HydrophobicContact CG-CG 4.44Å; L159-K161 PolarHBondContact O-N 3.25Å |
| 160 | P | 94.4 | Very high | 85.5 | Confident | 72 Ų | 72 | 85.7 Ų | 85.7 | 47% | 0.468 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 140.3 | 171.2 | 25 | -32.8 | 0 | 0 | 0 | 110.8 | I144 | I144-P160 HydrophobicContact CD1-CB 4.22Å; I144-P160 HydrophobicContact CD1-CG 4.27Å |
| 161 | K | 93.4 | Very high | 84.6 | Confident | 47 Ų | 47 | 84.5 Ų | 84.5 | 20% | 0.204 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -67 | 138.3 | 177.7 | -173.7 | -176.1 | 179.9 | -168.7 | 0 | 109.7 | D84 S87 Y131 L159 | D84-K161 HydrophobicContact CB-CD 4.37Å; D84-K161 WeakPolarHBondContact OD1-CE 3.37Å; D84-K161 IonicContact OD1-NZ 3.14Å; D84-K161 PolarHBondContact OD1-NZ 3.4Å; S87-K161 WeakPolarHBondContact O-CB 3.41Å; S87-K161 PolarHBondContact O-N 2.93Å; Y131-K161 HydrophobicContact CD1-CD 4.01Å; Y131-K161 HydrophobicContact CD1-CG 4.03Å; Y131-K161 HydrophobicContact CE1-CD 4.4Å; Y131-K161 HydrophobicContact CE1-CG 4.07Å; L159-K161 PolarHBondContact O-N 3.25Å |
| 162 | R | 87.5 | Confident | 83.3 | Confident | 171 Ų | 171 | 91.9 Ų | 91.9 | 65% | 0.645 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -85.8 | 135.9 | 175.2 | -63 | 175.7 | 64 | -166.1 | -0.2 | 109.9 | M168 | R162-M168 VanDerWaalsContact NH2-CE 3.25Š|
| 163 | T | 85.3 | Confident | 82.2 | Confident | 49 Ų | 49 | 95 Ų | 95 | 30% | 0.301 | 52% | 0.515 | S | S | . | . | P | Polyproline II helix | trans | -68.3 | 137.1 | 168.3 | 53.7 | 0 | 0 | 0 | 0 | 109.8 | T81 D84 V165 | T81-T163 HydrophobicContact CG2-CG2 4.24Å; D84-T163 HydrophobicContact CB-CG2 3.78Å; T163-V165 PolarHBondContact O-N 2.98Å; T163-V165 VanDerWaalsContact O-N 3.17Å |
| 164 | N | 78.9 | Confident | 81 | Confident | 141 Ų | 141 | 93.5 Ų | 93.5 | 75% | 0.754 | 50% | 0.502 | S | S | * | . | trans | -81.9 | 94 | 177.1 | -176.5 | 7.7 | 0 | 0 | 0 | 109.8 | P166 | N164-P166 VanDerWaalsContact O-CD 3.3Å; N164-P166 WeakPolarHBondContact O-CD 3.26Å | ||
| 165 | V | 77.2 | Confident | 79.6 | Confident | 76 Ų | 76 | 96 Ų | 96 | 46% | 0.461 | 53% | 0.526 | S | S | . | . | trans | -90.3 | 107.5 | 171.9 | -172.3 | 0 | 0 | 0 | 0 | 108.8 | T163 G167 M168 | T163-V165 PolarHBondContact O-N 2.98Å; T163-V165 VanDerWaalsContact O-N 3.17Å; V165-G167 PolarHBondContact O-N 2.79Å; V165-M168 HydrophobicContact CB-CB 4.37Å; V165-M168 HydrophobicContact CB-CG 4.26Å; V165-M168 HydrophobicContact CB-SD 3.78Å; V165-M168 HydrophobicContact CG2-SD 4.21Å; V165-M168 VanDerWaalsContact O-CG 3.25Å; V165-M168 WeakPolarHBondContact O-CG 3.41Å; V165-M168 PolarHBondContact O-N 3.2Å | ||
| 166 | P | 75.6 | Confident | 77.9 | Confident | 117 Ų | 117 | 99 Ų | 99 | 76% | 0.76 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | 133 | 177.9 | 25.6 | -33 | 0 | 0 | 0 | 110.1 | N164 | N164-P166 VanDerWaalsContact O-CD 3.3Å; N164-P166 WeakPolarHBondContact O-CD 3.26Å |
| 167 | G | 73.1 | Confident | 75.8 | Confident | 85 Ų | 85 | 103.8 Ų | 103.8 | 88% | 0.876 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.1 | -4.8 | 179 | 0 | 0 | 0 | 0 | 0 | 115.7 | V165 S169 | V165-G167 PolarHBondContact O-N 2.79Å; G167-S169 PolarHBondContact O-N 3.04Å; G167-S169 VanDerWaalsContact O-N 3.12Å |
| 168 | M | 65.9 | Low | 73.8 | Confident | 86 Ų | 86 | 110.5 Ų | 110.5 | 42% | 0.424 | 59% | 0.588 | S | S | . | * | trans | -71.5 | 106.1 | 170 | 75.3 | -176.3 | -73.7 | 0 | 0 | 110.1 | R162 V165 M170 | R162-M168 VanDerWaalsContact NH2-CE 3.25Å; V165-M168 HydrophobicContact CB-CB 4.37Å; V165-M168 HydrophobicContact CB-CG 4.26Å; V165-M168 HydrophobicContact CB-SD 3.78Å; V165-M168 HydrophobicContact CG2-SD 4.21Å; V165-M168 VanDerWaalsContact O-CG 3.25Å; V165-M168 WeakPolarHBondContact O-CG 3.41Å; V165-M168 PolarHBondContact O-N 3.2Å; M168-M170 HydrophobicContact CE-CE 3.62Å | ||
| 169 | S | 64.3 | Low | 71.6 | Confident | 78 Ų | 78 | 113.8 Ų | 113.8 | 55% | 0.545 | 62% | 0.623 | S | S | . | * | trans | -104 | 121 | 166.3 | -165.5 | 0 | 0 | 0 | 0 | 108.7 | G167 T171 | G167-S169 PolarHBondContact O-N 3.04Å; G167-S169 VanDerWaalsContact O-N 3.12Å; S169-T171 PolarHBondContact O-N 2.93Å; S169-T171 PolarHBondContact OG-N 3.01Å | ||
| 170 | M | 66.3 | Low | 69.4 | Low | 151 Ų | 151 | 121.5 Ų | 121.5 | 74% | 0.744 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -67.1 | -10 | 169 | -68.2 | -80.9 | 129.1 | 0 | 0 | 112 | M168 | M168-M170 HydrophobicContact CE-CE 3.62Š|
| 171 | T | 71.6 | Confident | 66.9 | Low | 76 Ų | 76 | 122.4 Ų | 122.4 | 47% | 0.466 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -84.9 | 126.6 | 173.5 | -46 | 0 | 0 | 0 | 0 | 107 | S169 R173 | S169-T171 PolarHBondContact O-N 2.93Å; S169-T171 PolarHBondContact OG-N 3.01Å; T171-R173 HydrophobicContact CG2-CB 3.86Å; T171-R173 HydrophobicContact CG2-CG 3.76Å; T171-R173 PolarHBondContact O-N 2.65Å |
| 172 | N | 64.1 | Low | 64.5 | Low | 171 Ų | 171 | 133.1 Ų | 133.1 | 91% | 0.914 | 70% | 0.7 | S | S | * | * | trans | -62.7 | 30.3 | 165.7 | -66.9 | -49.5 | 0 | 0 | 0 | 112.7 | P174 | N172-P174 WeakPolarHBondContact O-CD 3.41Š| ||
| 173 | R | 68.8 | Low | 62.5 | Low | 176 Ų | 176 | 127.8 Ų | 127.8 | 66% | 0.664 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 120 | 171.9 | -100.4 | 175.7 | 177.4 | 157.4 | -0.7 | 106.2 | T171 | T171-R173 HydrophobicContact CG2-CB 3.86Å; T171-R173 HydrophobicContact CG2-CG 3.76Å; T171-R173 PolarHBondContact O-N 2.65Å |
| 174 | P | 64.5 | Low | 60.4 | Low | 99 Ų | 99 | 136.1 Ų | 136.1 | 64% | 0.643 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 143.4 | 169.1 | 23.7 | -31.8 | 0 | 0 | 0 | 107.9 | N172 F176 | N172-P174 WeakPolarHBondContact O-CD 3.41Å; P174-F176 PolarHBondContact O-N 3.15Å; P174-F176 VanDerWaalsContact O-N 3.13Å |
| 175 | P | 62.9 | Low | 58.6 | Low | 111 Ų | 111 | 133.1 Ų | 133.1 | 72% | 0.721 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 129.8 | 176.7 | 21.5 | -32.2 | 0 | 0 | 0 | 107.4 | V177 | P175-V177 PolarHBondContact O-N 3.17Š|
| 176 | F | 58.8 | Low | 56.9 | Low | 189 Ų | 189 | 136.4 Ų | 136.4 | 83% | 0.829 | 74% | 0.738 | S | S | * | * | trans | -63 | 89 | 173.8 | -103.1 | -94.3 | 0 | 0 | 0 | 106.8 | P174 R178 | P174-F176 PolarHBondContact O-N 3.15Å; P174-F176 VanDerWaalsContact O-N 3.13Å; F176-R178 PolarHBondContact O-N 3.05Å | ||
| 177 | V | 53.2 | Low | 55.3 | Low | 100 Ų | 100 | 136.7 Ų | 136.7 | 61% | 0.606 | 74% | 0.743 | S | S | * | * | trans | -67.9 | 87.6 | 166.4 | -178.6 | 0 | 0 | 0 | 0 | 104.9 | P175 G179 R180 | P175-V177 PolarHBondContact O-N 3.17Å; V177-G179 PolarHBondContact O-N 3.4Å; V177-R180 HydrophobicContact CG1-CG 4.41Å | ||
| 178 | R | 53.5 | Low | 53.7 | Low | 254 Ų | 254 | 140.8 Ų | 140.8 | 96% | 0.958 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 82.5 | 169.4 | -165.9 | -174.4 | -123.7 | 170.4 | -0.1 | 106.3 | F176 | F176-R178 PolarHBondContact O-N 3.05Š|
| 179 | G | 50.2 | Low | 52.6 | Low | 70 Ų | 70 | 139.5 Ų | 139.5 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 159.7 | -5.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 120.9 | V177 | V177-G179 PolarHBondContact O-N 3.4Š|
| 180 | R | 47.4 | Very low | 51.7 | Low | 232 Ų | 232 | 145.4 Ų | 145.4 | 88% | 0.875 | 77% | 0.768 | S | S | * | * | trans | -106 | 100.4 | -179.3 | -79.6 | -156.2 | -177.7 | -151.1 | 4 | 115 | V177 | V177-R180 HydrophobicContact CG1-CG 4.41Š| ||
| 181 | A | 42.5 | Very low | 50.7 | Low | 91 Ų | 91 | 149.7 Ų | 149.7 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | trans | 48.7 | 88.2 | 134.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | G183 | A181-G183 PolarHBondContact O-N 3.46Å; A181-G183 VanDerWaalsContact O-N 3.09Å | ||
| 182 | R | 43.7 | Very low | 49.3 | Very low | 273 Ų | 273 | 151.5 Ų | 151.5 | 100% | 1.03 | 79% | 0.789 | S | S | * | * | trans | -76.4 | 76.9 | 144.6 | -84.9 | -169.5 | 168.3 | 96.6 | -0.1 | 108.4 | ||||
| 183 | G | 44.8 | Very low | 48.2 | Very low | 59 Ų | 59 | 147 Ų | 147 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | trans | -116.2 | 122.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | A181 | A181-G183 PolarHBondContact O-N 3.46Å; A181-G183 VanDerWaalsContact O-N 3.09Å | ||
| 184 | R | 40.9 | Very low | 47.1 | Very low | 223 Ų | 223 | 149 Ų | 149 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | trans | 50.2 | 90.1 | 154.9 | -82.6 | 176.9 | 161.3 | 132.4 | -4.9 | 117.7 | ||||
| 185 | G | 42.5 | Very low | 46.3 | Very low | 78 Ų | 78 | 149.1 Ų | 149.1 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -94.7 | 92.4 | 144.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | S187 | G185-S187 PolarHBondContact O-N 3.23Š| ||
| 186 | M | 40 | Very low | 45.3 | Very low | 145 Ų | 145 | 147 Ų | 147 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | trans | -63.4 | 118.7 | 167.4 | -77.7 | -69.9 | -171 | 0 | 0 | 108.9 | ||||
| 187 | S | 42.3 | Very low | 44.5 | Very low | 124 Ų | 124 | 150 Ų | 150 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | trans | -95.1 | 94 | 167.7 | -63.2 | 0 | 0 | 0 | 0 | 108.6 | G185 | G185-S187 PolarHBondContact O-N 3.23Š| ||
| 188 | I | 39.5 | Very low | 44.1 | Very low | 170 Ų | 170 | 152.8 Ų | 152.8 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -77.3 | 124.4 | 156.7 | -73.5 | 167.6 | 0 | 0 | 0 | 106.3 | ||||
| 189 | G | 43.5 | Very low | 43.9 | Very low | 60 Ų | 60 | 152.4 Ų | 152.4 | 62% | 0.619 | 81% | 0.805 | S | S | * | * | trans | 143.4 | 93.3 | 165.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 190 | F | 44.1 | Very low | 43.6 | Very low | 202 Ų | 202 | 158.1 Ų | 158.1 | 89% | 0.886 | 81% | 0.811 | S | S | * | * | trans | 37.8 | 107.5 | 132.8 | -79.2 | -95.4 | 0 | 0 | 0 | 118.8 | ||||
| 191 | R | 45.2 | Very low | 43.8 | Very low | 241 Ų | 241 | 152.8 Ų | 152.8 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | 176 | 141.4 | 105 | -94.2 | 173.3 | 167.5 | -136.2 | -5.4 | 111.8 | |||||
| 192 | P | 42.5 | Very low | 44.1 | Very low | 114 Ų | 114 | 158.6 Ų | 158.6 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | trans | -99.6 | 158.4 | -168 | 38.6 | -30.5 | 0 | 0 | 0 | 113.7 | ||||
| 193 | A | 42 | Very low | 44.2 | Very low | 76 Ų | 76 | 155.9 Ų | 155.9 | 63% | 0.628 | 80% | 0.8 | S | S | * | * | trans | 72.4 | 133.7 | 139.6 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 194 | Y | 45.1 | Very low | 44.4 | Very low | 218 Ų | 218 | 163.9 Ų | 163.9 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | trans | 67.2 | 142.8 | 153.4 | 70.2 | -100.3 | 0 | 0 | 0 | 120 | ||||
| 195 | A | 47.3 | Very low | 44.6 | Very low | 101 Ų | 101 | 164.3 Ų | 164.3 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | 81.4 | 124.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 196 | G | 41.9 | Very low | 44.8 | Very low | 68 Ų | 68 | 172.5 Ų | 172.5 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | trans | 107.1 | 79.2 | 155.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | M198 | G196-M198 PolarHBondContact O-N 3.06Š| ||
| 197 | R | 43.7 | Very low | 45.2 | Very low | 252 Ų | 252 | 168.1 Ų | 168.1 | 95% | 0.951 | 81% | 0.812 | S | S | * | * | trans | -53.3 | 99.6 | 153.7 | -75.9 | -100.5 | -156.8 | -89.6 | 0.1 | 109.2 | ||||
| 198 | M | 44.2 | Very low | 46 | Very low | 157 Ų | 157 | 166.4 Ų | 166.4 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | -108.8 | 96.8 | 162 | -74.6 | -89.8 | -171.7 | 0 | 0 | 107.4 | G196 F200 | G196-M198 PolarHBondContact O-N 3.06Å; M198-F200 PolarHBondContact O-N 3.47Å; M198-F200 VanDerWaalsContact O-N 3.15Å | ||
| 199 | R | 47.9 | Very low | 46.8 | Very low | 246 Ų | 246 | 167.1 Ų | 167.1 | 93% | 0.928 | 79% | 0.793 | S | S | * | * | trans | -59.3 | 110.9 | 161.1 | -91.1 | -177.8 | 168.5 | -175.7 | -2.5 | 106.6 | P201 | R199-P201 VanDerWaalsContact O-CD 3.26Å; R199-P201 WeakPolarHBondContact O-CD 3.32Å | ||
| 200 | F | 45.3 | Very low | 47.5 | Very low | 190 Ų | 190 | 174.3 Ų | 174.3 | 83% | 0.833 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 120.2 | 165.7 | -71.8 | -81.3 | 0 | 0 | 0 | 108.9 | M198 | M198-F200 PolarHBondContact O-N 3.47Å; M198-F200 VanDerWaalsContact O-N 3.15Å |
| 201 | P | 51.5 | Low | 48 | Very low | 121 Ų | 121 | 173.2 Ų | 173.2 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 137.8 | 162 | -14.8 | 30.9 | 0 | 0 | 0 | 109.1 | R199 | R199-P201 VanDerWaalsContact O-CD 3.26Å; R199-P201 WeakPolarHBondContact O-CD 3.32Å |
| 202 | R | 49 | Very low | 49.1 | Very low | 212 Ų | 212 | 167.2 Ų | 167.2 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -53.7 | 152.4 | 174.6 | -63.7 | 173 | 171.6 | 167.1 | -4.2 | 111.1 | ||
| 203 | Y | 45.3 | Very low | 50.3 | Low | 217 Ų | 217 | 165.5 Ų | 165.5 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | trans | 75.7 | 79.1 | 168.9 | -46.7 | -78.5 | 0 | 0 | 0 | 116.5 | ||||
| 204 | R | 48.6 | Very low | 51.2 | Low | 227 Ų | 227 | 176.7 Ų | 176.7 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | trans | -114 | 123.3 | 150.1 | -90.4 | -170.1 | 175.3 | -162.3 | -1.5 | 108.7 | ||||
| 205 | R | 45.3 | Very low | 51.5 | Low | 232 Ų | 232 | 174.7 Ų | 174.7 | 88% | 0.875 | 81% | 0.808 | S | S | * | * | 160.8 | 90.8 | 129.9 | -83.1 | -72.5 | -164.6 | -124.8 | -1 | 109.7 | |||||
| 206 | R | 47.4 | Very low | 51.8 | Low | 250 Ų | 250 | 178.5 Ų | 178.5 | 94% | 0.943 | 81% | 0.807 | S | S | * | * | trans | -135.7 | 101.2 | 141.1 | -145.4 | -174.7 | -169.7 | -137.6 | 3.4 | 105.5 | ||||
| 207 | G | 47.5 | Very low | 52.3 | Low | 53 Ų | 53 | 184.7 Ų | 184.7 | 55% | 0.546 | 81% | 0.813 | S | S | . | * | trans | -59.3 | 137.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 208 | S | 58.5 | Low | 52.8 | Low | 87 Ų | 87 | 180.7 Ų | 180.7 | 61% | 0.608 | 80% | 0.804 | S | S | * | * | 49.9 | 114.8 | 66.6 | -152.7 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 209 | Y | 56.5 | Low | 53.3 | Low | 185 Ų | 185 | 182.2 Ų | 182.2 | 73% | 0.725 | 81% | 0.806 | S | S | * | * | -164.9 | 132.6 | 82 | -63 | -58.2 | 0 | 0 | 0 | 112.2 | |||||
| 210 | Y | 58 | Low | 53.7 | Low | 211 Ų | 211 | 177.9 Ų | 177.9 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | 73.3 | 99.1 | 151.3 | -54.3 | -64.3 | 0 | 0 | 0 | 122.6 | ||||
| 211 | F | 56.2 | Low | 54.3 | Low | 180 Ų | 180 | 177.1 Ų | 177.1 | 79% | 0.789 | 80% | 0.796 | S | S | * | * | trans | -75.3 | 140.3 | 135.1 | 167.4 | -94.1 | 0 | 0 | 0 | 109.6 | P213 | F211-P213 HydrophobicContact CE1-CB 4.17Å; F211-P213 HydrophobicContact CE1-CG 4.08Å; F211-P213 HydrophobicContact CE2-CB 4.4Å; F211-P213 HydrophobicContact CZ-CB 3.79Å; F211-P213 HydrophobicContact CZ-CG 4.18Å | ||
| 212 | S | 67 | Low | 54.5 | Low | 115 Ų | 115 | 181.4 Ų | 181.4 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -152.5 | 135.1 | 153.2 | -156.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 213 | P | 69.2 | Low | 55 | Low | 78 Ų | 78 | 178.8 Ų | 178.8 | 51% | 0.506 | 80% | 0.796 | S | S | . | * | trans | -101.9 | 160.1 | -158 | 37.8 | -32 | 0 | 0 | 0 | 114.8 | F211 | F211-P213 HydrophobicContact CE1-CB 4.17Å; F211-P213 HydrophobicContact CE1-CG 4.08Å; F211-P213 HydrophobicContact CE2-CB 4.4Å; F211-P213 HydrophobicContact CZ-CB 3.79Å; F211-P213 HydrophobicContact CZ-CG 4.18Å | ||
| 214 | Y | 60.4 | Low | 55.9 | Low | 311 Ų | 311 | 175.4 Ų | 175.4 | 100% | 1.22 | 79% | 0.791 | S | S | * | * | -123.8 | 0 | 128.9 | -84 | -81.9 | 0 | 0 | 0 | 107.7 |
Retrieved 214 of 214 residues in 56.8 ms
(Link to these results)