| 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 | 59.6 | Low | 60.4 | Low | 245 Ų | 245 | 165.7 Ų | 165.7 | 100% | 1.207 | 86% | 0.857 | S | S | * | * | 0 | 119.7 | 0 | -67.1 | 155.2 | 175.2 | 0 | 0 | 107.1 | |||||
| 2 | K | 56.3 | Low | 60 | Low | 213 Ų | 213 | 157.4 Ų | 157.4 | 93% | 0.926 | 84% | 0.842 | S | S | * | * | trans | -95.5 | 138.4 | -174.5 | -85.5 | 178 | 173 | 173.7 | 0 | 110.5 | S4 | K2-S4 PolarHBondContact O-N 3.49Š| ||
| 3 | L | 54 | Low | 60.2 | Low | 178 Ų | 178 | 158.5 Ų | 158.5 | 93% | 0.932 | 85% | 0.845 | S | S | * | * | trans | -68 | 129.1 | -176 | -65.1 | 95.7 | 0 | 0 | 0 | 111.4 | ||||
| 4 | S | 58.9 | Low | 60.3 | Low | 101 Ų | 101 | 161.4 Ų | 161.4 | 71% | 0.706 | 85% | 0.847 | S | S | * | * | trans | -112.7 | 85.4 | 163.5 | -173.8 | 0 | 0 | 0 | 0 | 107.8 | K2 | K2-S4 PolarHBondContact O-N 3.49Š| ||
| 5 | G | 65.8 | Low | 60.1 | Low | 83 Ų | 83 | 162.3 Ų | 162.3 | 86% | 0.856 | 85% | 0.845 | S | S | * | * | trans | -97.1 | 92.3 | 173 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 6 | M | 70.1 | Confident | 59.8 | Low | 136 Ų | 136 | 165.3 Ų | 165.3 | 67% | 0.67 | 84% | 0.843 | S | S | * | * | trans | -87.7 | 155.6 | -167.7 | -157.6 | 90.5 | 87.3 | 0 | 0 | 112.5 | ||||
| 7 | F | 63.1 | Low | 59.4 | Low | 191 Ų | 191 | 161.5 Ų | 161.5 | 84% | 0.838 | 84% | 0.835 | S | S | * | * | trans | 69.6 | 77.4 | 166.5 | -64.7 | -62.3 | 0 | 0 | 0 | 119.4 | ||||
| 8 | R | 61.8 | Low | 59.9 | Low | 233 Ų | 233 | 156.7 Ų | 156.7 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | -60.7 | 126.9 | 146.6 | 176.7 | 175.3 | 173.5 | 172.7 | -4.1 | 111.3 | ||||
| 9 | T | 54.9 | Low | 59.4 | Low | 119 Ų | 119 | 157.5 Ų | 157.5 | 73% | 0.73 | 82% | 0.818 | S | S | * | * | trans | 43 | 117.9 | 145.8 | -42.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 10 | C | 61.8 | Low | 59.4 | Low | 111 Ų | 111 | 155 Ų | 155 | 75% | 0.75 | 81% | 0.809 | S | S | * | * | -179.3 | 164.7 | 127.3 | -102 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 11 | F | 58 | Low | 58.8 | Low | 213 Ų | 213 | 154.6 Ų | 154.6 | 93% | 0.934 | 81% | 0.808 | S | S | * | * | trans | 63.4 | 125.1 | -177.4 | -68.2 | -94.9 | 0 | 0 | 0 | 115.6 | ||||
| 12 | G | 55.2 | Low | 58.1 | Low | 66 Ų | 66 | 151.5 Ų | 151.5 | 68% | 0.68 | 79% | 0.791 | S | S | * | * | cis | 159.4 | 104.3 | 0.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | K14 | G12-K14 PolarHBondContact O-N 3.12Š| ||
| 13 | I | 63.4 | Low | 57.3 | Low | 172 Ų | 172 | 146 Ų | 146 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | -67 | 110.8 | -179.2 | -60.3 | 176.3 | 0 | 0 | 0 | 107.5 | Q15 | I13-Q15 PolarHBondContact O-N 3.07Å; I13-Q15 VanDerWaalsContact O-N 3.07Å | ||
| 14 | K | 61.1 | Low | 57 | Low | 198 Ų | 198 | 140.6 Ų | 140.6 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | trans | -64.9 | 107.8 | -177.2 | -170.4 | 173.6 | -177.5 | -179.5 | 0 | 108.4 | G12 Y16 | G12-K14 PolarHBondContact O-N 3.12Å; K14-Y16 PolarHBondContact O-N 3.2Å; K14-Y16 VanDerWaalsContact O-N 3.15Å | ||
| 15 | Q | 58.1 | Low | 56.6 | Low | 175 Ų | 175 | 144.4 Ų | 144.4 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -52.1 | 119.5 | 169.8 | -77.4 | -73.2 | -0.5 | 0 | 0 | 108.7 | I13 S17 | I13-Q15 PolarHBondContact O-N 3.07Å; I13-Q15 VanDerWaalsContact O-N 3.07Å; Q15-S17 PolarHBondContact O-N 3.02Å; Q15-S17 VanDerWaalsContact O-N 3.12Å | ||
| 16 | Y | 55.2 | Low | 56.5 | Low | 210 Ų | 210 | 145.4 Ų | 145.4 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | trans | -80.5 | 91.5 | 172.6 | -168 | -90 | 0 | 0 | 0 | 107.4 | K14 P18 | K14-Y16 PolarHBondContact O-N 3.2Å; K14-Y16 VanDerWaalsContact O-N 3.15Å; Y16-P18 VanDerWaalsContact O-CD 3.29Å; Y16-P18 WeakPolarHBondContact O-CD 3.29Å | ||
| 17 | S | 53.1 | Low | 56.8 | Low | 101 Ų | 101 | 143 Ų | 143 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | -86.1 | 110.3 | 170.6 | -171.7 | 0 | 0 | 0 | 0 | 107.4 | Q15 M19 | Q15-S17 PolarHBondContact O-N 3.02Å; Q15-S17 VanDerWaalsContact O-N 3.12Å; S17-M19 PolarHBondContact O-N 3.18Å | ||
| 18 | P | 67.1 | Low | 57.9 | Low | 76 Ų | 76 | 135.1 Ų | 135.1 | 49% | 0.494 | 73% | 0.727 | S | S | . | * | trans | -64.2 | 125.4 | 171.6 | 26.9 | -32.5 | 0 | 0 | 0 | 108.3 | Y16 V20 | Y16-P18 VanDerWaalsContact O-CD 3.29Å; Y16-P18 WeakPolarHBondContact O-CD 3.29Å; P18-V20 PolarHBondContact O-N 3.3Å | ||
| 19 | M | 50.9 | Low | 59.1 | Low | 172 Ų | 172 | 129 Ų | 129 | 85% | 0.847 | 71% | 0.712 | S | S | * | * | trans | -70.3 | 111.6 | 166.8 | -70.1 | -171.1 | 70.7 | 0 | 0 | 107.2 | S17 D21 | S17-M19 PolarHBondContact O-N 3.18Å; M19-D21 PolarHBondContact O-N 3.15Å | ||
| 20 | V | 59.2 | Low | 60.8 | Low | 106 Ų | 106 | 128.8 Ų | 128.8 | 64% | 0.642 | 71% | 0.705 | S | S | * | * | trans | -83.2 | 94.9 | -179.6 | -155.6 | 0 | 0 | 0 | 0 | 107.6 | P18 Q22 | P18-V20 PolarHBondContact O-N 3.3Å; V20-Q22 HydrophobicContact CB-CG 4.38Å; V20-Q22 HydrophobicContact CG1-CG 3.72Å; V20-Q22 PolarHBondContact O-N 2.81Å | ||
| 21 | D | 47.9 | Very low | 62.2 | Low | 147 Ų | 147 | 129.7 Ų | 129.7 | 79% | 0.786 | 70% | 0.699 | S | S | * | * | trans | -71.9 | 74.5 | 169.5 | -78.4 | -25.8 | 0 | 0 | 0 | 109.3 | M19 A23 | M19-D21 PolarHBondContact O-N 3.15Å; D21-A23 PolarHBondContact O-N 2.82Å | ||
| 22 | Q | 43.3 | Very low | 63.8 | Low | 180 Ų | 180 | 119.6 Ų | 119.6 | 84% | 0.841 | 65% | 0.654 | S | S | * | * | trans | -70.2 | 67.5 | 170 | -73 | -174 | -100.5 | 0 | 0 | 110.4 | V20 | V20-Q22 HydrophobicContact CB-CG 4.38Å; V20-Q22 HydrophobicContact CG1-CG 3.72Å; V20-Q22 PolarHBondContact O-N 2.81Å | ||
| 23 | A | 40.8 | Very low | 65.5 | Low | 99 Ų | 99 | 118.7 Ų | 118.7 | 82% | 0.818 | 63% | 0.632 | S | S | * | * | trans | -111 | 55.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | D21 | D21-A23 PolarHBondContact O-N 2.82Š| ||
| 24 | G | 47.1 | Very low | 67 | Low | 63 Ų | 63 | 114.3 Ų | 114.3 | 65% | 0.649 | 61% | 0.61 | S | S | * | * | S | Bend | trans | 116.2 | 80.6 | 160.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | D26 | G24-D26 PolarHBondContact O-N 2.87Š|
| 25 | L | 51 | Low | 68.5 | Low | 182 Ų | 182 | 105.9 Ų | 105.9 | 95% | 0.953 | 57% | 0.573 | S | S | * | * | trans | 43.2 | 34.7 | 157.4 | -69.5 | 171.8 | 0 | 0 | 0 | 116.7 | V27 | L25-V27 PolarHBondContact O-N 2.8Š| ||
| 26 | D | 63 | Low | 70.3 | Confident | 104 Ų | 104 | 97.6 Ų | 97.6 | 56% | 0.556 | 54% | 0.535 | S | S | * | . | trans | -73 | 126.6 | 173 | -155.6 | 8.1 | 0 | 0 | 0 | 108.5 | G24 W28 K77 | G24-D26 PolarHBondContact O-N 2.87Å; D26-W28 PolarHBondContact O-N 3Å; D26-W28 VanDerWaalsContact O-N 3.17Å; D26-W28 VanDerWaalsContact OD1-CD1 3.28Å; D26-K77 IonicContact OD2-NZ 3.16Å; D26-K77 PolarHBondContact OD2-NZ 3.12Å; D26-K77 VanDerWaalsContact OD2-NZ 3.16Å | ||
| 27 | V | 77 | Confident | 72.1 | Confident | 85 Ų | 85 | 91 Ų | 91 | 52% | 0.515 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -67.7 | -11.5 | 177.8 | 177.4 | 0 | 0 | 0 | 0 | 110.6 | L25 I69 | L25-V27 PolarHBondContact O-N 2.8Å; V27-I69 HydrophobicContact CG1-CG1 4.35Å |
| 28 | W | 85.7 | Confident | 74.1 | Confident | 26 Ų | 26 | 90.9 Ų | 90.9 | 10% | 0.098 | 50% | 0.499 | C | S | . | . | trans | -96 | 111.3 | -175.1 | -63.7 | 92.2 | 0 | 0 | 0 | 112.1 | D26 E33 L36 I69 I74 K77 | D26-W28 PolarHBondContact O-N 3Å; D26-W28 VanDerWaalsContact O-N 3.17Å; D26-W28 VanDerWaalsContact OD1-CD1 3.28Å; W28-E33 HydrophobicContact CB-CG 4.12Å; W28-E33 HydrophobicContact CE3-CG 4.16Å; W28-L36 HydrophobicContact CH2-CD2 3.85Å; W28-L36 HydrophobicContact CZ3-CB 4.08Å; W28-L36 HydrophobicContact CZ3-CD2 3.83Å; W28-L36 HydrophobicContact CZ3-CG 4.45Å; W28-I69 HydrophobicContact CE3-CD1 4.09Å; W28-I69 HydrophobicContact CH2-CD1 4.08Å; W28-I69 HydrophobicContact CH2-CG2 4.08Å; W28-I69 HydrophobicContact CZ2-CD1 4.49Å; W28-I69 HydrophobicContact CZ2-CG2 3.93Å; W28-I69 HydrophobicContact CZ3-CD1 3.86Å; W28-I74 HydrophobicContact CH2-CB 4.48Å; W28-I74 HydrophobicContact CH2-CG1 4.01Å; W28-I74 HydrophobicContact CZ2-CG1 4.31Å; W28-K77 HydrophobicContact CD2-CB 4.33Å; W28-K77 HydrophobicContact CD2-CD 4.01Å; W28-K77 HydrophobicContact CD2-CG 3.86Å; W28-K77 HydrophobicContact CE3-CG 4.38Å; W28-K77 HydrophobicContact CG-CD 3.85Å; W28-K77 HydrophobicContact CG-CG 4.26Å; W28-K77 HydrophobicContact CH2-CB 4.26Å; W28-K77 HydrophobicContact CH2-CG 4.39Å; W28-K77 HydrophobicContact CZ2-CB 3.5Å; W28-K77 HydrophobicContact CZ2-CG 3.89Å | ||
| 29 | N | 87.4 | Confident | 75.5 | Confident | 104 Ų | 104 | 87.3 Ų | 87.3 | 56% | 0.556 | 48% | 0.475 | S | S | * | . | trans | -86 | 154.3 | 162.4 | -172.1 | 2.3 | 0 | 0 | 0 | 109.7 | E31 S32 E33 | N29-E31 PolarHBondContact O-N 3.12Å; N29-S32 PolarHBondContact N-OG 2.8Å; N29-S32 WeakPolarHBondContact O-CA 3.24Å; N29-S32 WeakPolarHBondContact O-CB 3.44Å; N29-S32 PolarHBondContact O-N 3.18Å; N29-S32 PolarHBondContact O-OG 3.2Å; N29-E33 PolarHBondContact O-N 3.34Å | ||
| 30 | L | 90.4 | Very high | 77.6 | Confident | 115 Ų | 115 | 80.3 Ų | 80.3 | 60% | 0.602 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -53.1 | -41.6 | 177.8 | -67.4 | 171.9 | 0 | 0 | 0 | 112.3 | S32 E33 I34 | L30-S32 VanDerWaalsContact C-N 3.31Å; L30-S32 PolarHBondContact O-N 3.01Å; L30-E33 PolarHBondContact O-N 2.65Å; L30-I34 VanDerWaalsContact O-CG1 3.28Å; L30-I34 WeakPolarHBondContact O-CG1 3.46Å; L30-I34 PolarHBondContact O-N 3.02Å |
| 31 | E | 90.8 | Very high | 79.2 | Confident | 130 Ų | 130 | 82 Ų | 82 | 61% | 0.607 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -59.7 | -39.1 | 174.7 | -63.8 | -60.5 | 149.4 | 0 | 0 | 112.5 | N29 Q35 | N29-E31 PolarHBondContact O-N 3.12Å; E31-Q35 WeakPolarHBondContact O-CB 3.44Å; E31-Q35 PolarHBondContact O-N 2.89Å |
| 32 | S | 91.4 | Very high | 81.4 | Confident | 0 Ų | 0 | 80.9 Ų | 80.9 | 0% | 0 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -72 | -32.2 | 177.6 | 70.7 | 0 | 0 | 0 | 0 | 112.9 | N29 L30 L36 V65 | N29-S32 PolarHBondContact N-OG 2.8Å; N29-S32 WeakPolarHBondContact O-CA 3.24Å; N29-S32 WeakPolarHBondContact O-CB 3.44Å; N29-S32 PolarHBondContact O-N 3.18Å; N29-S32 PolarHBondContact O-OG 3.2Å; L30-S32 VanDerWaalsContact C-N 3.31Å; L30-S32 PolarHBondContact O-N 3.01Å; S32-L36 WeakPolarHBondContact O-CB 2.99Å; S32-L36 PolarHBondContact O-N 2.91Å; S32-V65 VanDerWaalsContact CB-CG2 3.46Å |
| 33 | E | 92.6 | Very high | 83.8 | Confident | 47 Ų | 47 | 74.5 Ų | 74.5 | 22% | 0.22 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -71.1 | -46.6 | 173.5 | -66.9 | -167.3 | 161.5 | 0 | 0 | 111.7 | W28 N29 L30 Q35 L36 F37 K77 | W28-E33 HydrophobicContact CB-CG 4.12Å; W28-E33 HydrophobicContact CE3-CG 4.16Å; N29-E33 PolarHBondContact O-N 3.34Å; L30-E33 PolarHBondContact O-N 2.65Å; E33-Q35 PolarHBondContact O-N 3.16Å; E33-L36 WeakPolarHBondContact O-CB 3.34Å; E33-L36 PolarHBondContact O-N 3.17Å; E33-L36 VanDerWaalsContact O-N 3.09Å; E33-F37 HydrophobicContact CB-CE2 4.06Å; E33-F37 WeakPolarHBondContact O-CD2 3.28Å; E33-F37 WeakPolarHBondContact O-CG 3.39Å; E33-F37 PolarHBondContact O-N 2.62Å; E33-K77 WeakPolarHBondContact OE1-CE 3.39Å; E33-K77 IonicContact OE1-NZ 2.65Å; E33-K77 PolarHBondContact OE1-NZ 3.27Å |
| 34 | I | 93.5 | Very high | 86.3 | Confident | 80 Ų | 80 | 74.7 Ų | 74.7 | 41% | 0.41 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -54.1 | -45.7 | 174.1 | -69.4 | 163.1 | 0 | 0 | 0 | 109.6 | L30 F37 H38 | L30-I34 VanDerWaalsContact O-CG1 3.28Å; L30-I34 WeakPolarHBondContact O-CG1 3.46Å; L30-I34 PolarHBondContact O-N 3.02Å; I34-F37 PolarHBondContact O-N 3.09Å; I34-H38 VanDerWaalsContact CG2-CE1 3.45Å; I34-H38 WeakPolarHBondContact CG2-CE1 2.92Å; I34-H38 PolarHBondContact O-N 3.31Å |
| 35 | Q | 93.6 | Very high | 88.5 | Confident | 21 Ų | 21 | 72.3 Ų | 72.3 | 10% | 0.098 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -69.2 | -34.6 | 178.7 | -169.7 | 58.4 | 15.7 | 0 | 0 | 113.4 | E31 E33 H38 A39 L60 F64 | E31-Q35 WeakPolarHBondContact O-CB 3.44Å; E31-Q35 PolarHBondContact O-N 2.89Å; E33-Q35 PolarHBondContact O-N 3.16Å; Q35-H38 PolarHBondContact O-N 3.21Å; Q35-A39 WeakPolarHBondContact O-CB 3.43Å; Q35-A39 PolarHBondContact O-N 2.95Å; Q35-L60 VanDerWaalsContact CG-O 3.23Å; Q35-L60 WeakPolarHBondContact CG-O 3.43Å; Q35-L60 PolarHBondContact NE2-O 3.42Å; Q35-F64 HydrophobicContact CG-CB 4.28Å; Q35-F64 HydrophobicContact CG-CD2 3.8Å; Q35-F64 HydrophobicContact CG-CG 4.32Å |
| 36 | L | 94.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 170.5 | 177.3 | 64.3 | 0 | 0 | 0 | 111.1 | W28 S32 E33 A39 I40 V57 V61 I74 K77 L78 | W28-L36 HydrophobicContact CH2-CD2 3.85Å; W28-L36 HydrophobicContact CZ3-CB 4.08Å; W28-L36 HydrophobicContact CZ3-CD2 3.83Å; W28-L36 HydrophobicContact CZ3-CG 4.45Å; S32-L36 WeakPolarHBondContact O-CB 2.99Å; S32-L36 PolarHBondContact O-N 2.91Å; E33-L36 WeakPolarHBondContact O-CB 3.34Å; E33-L36 PolarHBondContact O-N 3.17Å; E33-L36 VanDerWaalsContact O-N 3.09Å; L36-A39 PolarHBondContact O-N 2.9Å; L36-A39 VanDerWaalsContact O-N 3.16Å; L36-I40 HydrophobicContact CD1-CG2 4.13Å; L36-I40 PolarHBondContact O-N 3.37Å; L36-V57 HydrophobicContact CD1-CG1 3.71Å; L36-V61 HydrophobicContact CB-CG2 4.13Å; L36-V61 HydrophobicContact CD1-CG2 4.16Å; L36-I74 HydrophobicContact CD1-CG2 3.72Å; L36-K77 HydrophobicContact CD2-CG 4.09Å; L36-L78 HydrophobicContact CD1-CD2 4.37Å; L36-L78 HydrophobicContact CD2-CD2 4.22Å; L36-L78 HydrophobicContact CG-CD2 4.46Å |
| 37 | F | 94.8 | Very high | 91.8 | Very high | 73 Ų | 73 | 59.3 Ų | 59.3 | 32% | 0.32 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 178.1 | -63.8 | -53 | 0 | 0 | 0 | 112 | E33 I34 A39 I40 L41 L81 | E33-F37 HydrophobicContact CB-CE2 4.06Å; E33-F37 WeakPolarHBondContact O-CD2 3.28Å; E33-F37 WeakPolarHBondContact O-CG 3.39Å; E33-F37 PolarHBondContact O-N 2.62Å; I34-F37 PolarHBondContact O-N 3.09Å; F37-A39 VanDerWaalsContact C-N 3.3Å; F37-A39 PolarHBondContact O-N 3.39Å; F37-I40 HydrophobicContact CD1-CD1 4.08Å; F37-I40 WeakPolarHBondContact O-CG1 3.28Å; F37-L41 VanDerWaalsContact O-CG 3.3Å; F37-L41 WeakPolarHBondContact O-CG 3.33Å; F37-L41 PolarHBondContact O-N 3.43Å; F37-L81 HydrophobicContact CE1-CD1 4.05Å; F37-L81 HydrophobicContact CZ-CD1 3.99Å |
| 38 | H | 94.8 | Very high | 92.4 | Very high | 98 Ų | 98 | 59 Ų | 59 | 45% | 0.454 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.6 | -36.5 | 171.7 | -65.8 | 158.6 | 0 | 0 | 0 | 112.9 | I34 Q35 N42 | I34-H38 VanDerWaalsContact CG2-CE1 3.45Å; I34-H38 WeakPolarHBondContact CG2-CE1 2.92Å; I34-H38 PolarHBondContact O-N 3.31Å; Q35-H38 PolarHBondContact O-N 3.21Å; H38-N42 PolarHBondContact O-ND2 3.22Å |
| 39 | A | 95.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -69.8 | -47.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q35 L36 F37 L41 N42 H43 V57 L60 V61 | Q35-A39 WeakPolarHBondContact O-CB 3.43Å; Q35-A39 PolarHBondContact O-N 2.95Å; L36-A39 PolarHBondContact O-N 2.9Å; L36-A39 VanDerWaalsContact O-N 3.16Å; F37-A39 VanDerWaalsContact C-N 3.3Å; F37-A39 PolarHBondContact O-N 3.39Å; A39-L41 VanDerWaalsContact C-N 3.28Å; A39-L41 PolarHBondContact O-N 2.99Å; A39-N42 PolarHBondContact O-N 3.49Å; A39-N42 VanDerWaalsContact O-N 3.13Å; A39-H43 PolarHBondContact O-N 3.02Å; A39-V57 HydrophobicContact CB-CB 4.41Å; A39-V57 HydrophobicContact CB-CG1 4.01Å; A39-V57 HydrophobicContact CB-CG2 4.4Å; A39-L60 HydrophobicContact CB-CB 4.16Å; A39-L60 HydrophobicContact CB-CD2 3.77Å; A39-L60 HydrophobicContact CB-CG 4Å; A39-V61 HydrophobicContact CB-CG2 4.44Å |
| 40 | I | 94.9 | Very high | 93 | Very high | 25 Ų | 25 | 60 Ų | 60 | 13% | 0.128 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -69.9 | -22.3 | -177.9 | 66.5 | 178.1 | 0 | 0 | 0 | 114 | L36 F37 N42 H43 P45 V57 L78 Y82 | L36-I40 HydrophobicContact CD1-CG2 4.13Å; L36-I40 PolarHBondContact O-N 3.37Å; F37-I40 HydrophobicContact CD1-CD1 4.08Å; F37-I40 WeakPolarHBondContact O-CG1 3.28Å; I40-N42 PolarHBondContact O-N 3.46Å; I40-H43 WeakPolarHBondContact CA-O 3.45Å; I40-P45 HydrophobicContact CG2-CG 4.06Å; I40-V57 HydrophobicContact CG2-CG1 4.27Å; I40-V57 HydrophobicContact CG2-CG2 4.29Å; I40-L78 HydrophobicContact CD1-CD2 4.26Å; I40-L78 HydrophobicContact CG2-CD2 4.07Å; I40-Y82 HydrophobicContact CD1-CE2 3.95Å |
| 41 | L | 93.8 | Very high | 93.2 | Very high | 142 Ų | 142 | 59.6 Ų | 59.6 | 74% | 0.743 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -64.5 | -30.2 | 171.8 | -75.8 | 170.3 | 0 | 0 | 0 | 112.5 | F37 A39 | F37-L41 VanDerWaalsContact O-CG 3.3Å; F37-L41 WeakPolarHBondContact O-CG 3.33Å; F37-L41 PolarHBondContact O-N 3.43Å; A39-L41 VanDerWaalsContact C-N 3.28Å; A39-L41 PolarHBondContact O-N 2.99Å |
| 42 | N | 93.2 | Very high | 93.4 | Very high | 123 Ų | 123 | 60.2 Ų | 60.2 | 66% | 0.658 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -98.9 | -34.1 | 180 | -65.7 | -76 | 0 | 0 | 0 | 112.4 | H38 A39 I40 | H38-N42 PolarHBondContact O-ND2 3.22Å; A39-N42 PolarHBondContact O-N 3.49Å; A39-N42 VanDerWaalsContact O-N 3.13Å; I40-N42 PolarHBondContact O-N 3.46Å |
| 43 | H | 94.7 | Very high | 93.6 | Very high | 47 Ų | 47 | 62.2 Ų | 62.2 | 22% | 0.218 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -123.4 | 97.2 | -176.4 | -68.3 | -71.9 | 0 | 0 | 0 | 110.6 | A39 I40 P45 Q53 Y56 V57 | A39-H43 PolarHBondContact O-N 3.02Å; I40-H43 WeakPolarHBondContact CA-O 3.45Å; H43-P45 VanDerWaalsContact O-CD 3.26Å; H43-P45 WeakPolarHBondContact O-CD 3.47Å; H43-Q53 PolarHBondContact ND1-OE1 2.88Å; H43-Y56 AromaticContact CE1-CG 3.65Å; H43-Y56 WeakPolarHBondContact ND1-CB 3.43Å; H43-Y56 AromaticContact ND1-CD2 3.95Å; H43-Y56 AromaticContact ND1-CG 3.82Å; H43-V57 HydrophobicContact CB-CG2 3.69Å; H43-V57 WeakPolarHBondContact O-CG2 3.43Å |
| 44 | K | 92.8 | Very high | 93.8 | Very high | 102 Ų | 102 | 60 Ų | 60 | 44% | 0.443 | 30% | 0.3 | S | S | . | . | trans | -66.9 | 116.9 | -179.1 | -63.4 | -179 | 71 | -109.8 | 0 | 110.3 | V46 Q53 E91 | K44-V46 HydrophobicContact CB-CG2 4Å; K44-V46 PolarHBondContact O-N 3.07Å; K44-Q53 WeakPolarHBondContact O-CB 3.39Å; K44-Q53 WeakPolarHBondContact O-CG 3.38Å; K44-E91 IonicContact NZ-OE1 2.63Å; K44-E91 PolarHBondContact NZ-OE1 3.1Å; K44-E91 IonicContact NZ-OE2 2.61Å; K44-E91 PolarHBondContact NZ-OE2 3.35Å | ||
| 45 | P | 92.9 | Very high | 93.9 | Very high | 13 Ų | 13 | 60.4 Ų | 60.4 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -78.8 | 32.9 | -176.9 | 32.9 | -35.6 | 0 | 0 | 0 | 113.4 | I40 H43 M54 W75 L78 M84 | I40-P45 HydrophobicContact CG2-CG 4.06Å; H43-P45 VanDerWaalsContact O-CD 3.26Å; H43-P45 WeakPolarHBondContact O-CD 3.47Å; P45-M54 HydrophobicContact CB-CE 3.62Å; P45-W75 WeakPolarHBondContact O-CH2 3.49Å; P45-W75 WeakPolarHBondContact O-CZ3 3.4Å; P45-L78 HydrophobicContact CB-CD1 3.98Å; P45-L78 HydrophobicContact CG-CD1 3.85Å; P45-M84 HydrophobicContact CB-CE 4.22Å; P45-M84 HydrophobicContact CG-CE 4.07Å; P45-M84 WeakPolarHBondContact O-CE 3.38Å |
| 46 | V | 92.9 | Very high | 93.9 | Very high | 10 Ų | 10 | 65.6 Ų | 65.6 | 6% | 0.061 | 32% | 0.322 | C | S | . | . | trans | -137 | -176.9 | -170.8 | -78.6 | 0 | 0 | 0 | 0 | 110.8 | K44 R50 M84 L87 E91 | K44-V46 HydrophobicContact CB-CG2 4Å; K44-V46 PolarHBondContact O-N 3.07Å; V46-R50 WeakPolarHBondContact O-CA 3.34Å; V46-R50 WeakPolarHBondContact O-CB 3.49Å; V46-R50 PolarHBondContact O-N 3.45Å; V46-M84 HydrophobicContact CG1-CE 3.79Å; V46-L87 HydrophobicContact CG1-CB 3.79Å; V46-E91 VanDerWaalsContact CG2-OE2 3.25Å; V46-E91 WeakPolarHBondContact CG2-OE2 3.43Å | ||
| 47 | G | 91 | Very high | 94 | Very high | 3 Ų | 3 | 65.5 Ų | 65.5 | 3% | 0.031 | 32% | 0.322 | C | S | . | . | S | Bend | trans | 74 | -164.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115.8 | H88 E91 | G47-H88 PolarHBondContact N-ND1 3.26Å; G47-H88 PolarHBondContact O-CE1 3.26Å; G47-H88 PolarHBondContact O-ND1 2.98Å; G47-E91 WeakPolarHBondContact CA-OE2 3.32Å; G47-E91 PolarHBondContact N-OE2 2.99Å; G47-E91 VanDerWaalsContact N-OE2 3.07Å |
| 48 | A | 89.2 | Confident | 94 | Very high | 79 Ų | 79 | 62.6 Ų | 62.6 | 65% | 0.653 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -29.7 | -173 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 49 | D | 91.9 | Very high | 94 | Very high | 68 Ų | 68 | 62.7 Ų | 62.7 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 14.2 | -178.7 | 64.3 | -43.1 | 0 | 0 | 0 | 113.1 | H51 F52 Q53 | D49-H51 PolarHBondContact O-N 3.41Å; D49-F52 HydrophobicContact CB-CD2 4.2Å; D49-F52 WeakPolarHBondContact O-CA 3.47Å; D49-F52 WeakPolarHBondContact O-CB 3.46Å; D49-F52 PolarHBondContact O-N 3.38Å; D49-Q53 PolarHBondContact O-N 3.1Å; D49-Q53 WeakPolarHBondContact OD2-CG 3.39Å; D49-Q53 PolarHBondContact OD2-NE2 3.12Å |
| 50 | R | 93.5 | Very high | 93.9 | Very high | 82 Ų | 82 | 65.1 Ų | 65.1 | 31% | 0.309 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -43.7 | -36.3 | -178.2 | 69.5 | -179.6 | 179.2 | -103.2 | -8.7 | 115.1 | V46 M54 W75 H88 | V46-R50 WeakPolarHBondContact O-CA 3.34Å; V46-R50 WeakPolarHBondContact O-CB 3.49Å; V46-R50 PolarHBondContact O-N 3.45Å; R50-M54 VanDerWaalsContact O-CB 3.24Å; R50-M54 WeakPolarHBondContact O-CB 3.33Å; R50-M54 PolarHBondContact O-N 3.31Å; R50-W75 HydrophobicContact CB-CH2 4.25Å; R50-W75 HydrophobicContact CG-CH2 4.34Å; R50-H88 PolarHBondContact NH1-CE1 2.92Å; R50-H88 PolarHBondContact NH1-NE2 2.76Å |
| 51 | H | 95.9 | Very high | 93.8 | Very high | 107 Ų | 107 | 64 Ų | 64 | 50% | 0.495 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -74.4 | -31.4 | -179.3 | -63.4 | -53.3 | 0 | 0 | 0 | 112.5 | D49 I55 W75 | D49-H51 PolarHBondContact O-N 3.41Å; H51-I55 WeakPolarHBondContact O-CG1 3.23Å; H51-I55 PolarHBondContact O-N 3.36Å; H51-W75 AromaticContact ND1-CZ2 3.97Å |
| 52 | F | 94.8 | Very high | 93.8 | Very high | 144 Ų | 144 | 59.6 Ų | 59.6 | 63% | 0.632 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -74.7 | -44 | 171.4 | -62 | -71.4 | 0 | 0 | 0 | 111 | D49 M54 I55 Y56 | D49-F52 HydrophobicContact CB-CD2 4.2Å; D49-F52 WeakPolarHBondContact O-CA 3.47Å; D49-F52 WeakPolarHBondContact O-CB 3.46Å; D49-F52 PolarHBondContact O-N 3.38Å; F52-M54 VanDerWaalsContact C-N 3.26Å; F52-M54 PolarHBondContact O-N 3.46Å; F52-I55 WeakPolarHBondContact O-CB 3.3Å; F52-I55 PolarHBondContact O-N 3.31Å; F52-Y56 WeakPolarHBondContact O-CD2 3.37Å; F52-Y56 PolarHBondContact O-N 3.3Å |
| 53 | Q | 95.1 | Very high | 93.7 | Very high | 41 Ų | 41 | 57.2 Ų | 57.2 | 19% | 0.192 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.1 | -40.5 | 174.5 | -62.2 | -61.8 | -15.7 | 0 | 0 | 111.6 | H43 K44 D49 I55 Y56 V57 | H43-Q53 PolarHBondContact ND1-OE1 2.88Å; K44-Q53 WeakPolarHBondContact O-CB 3.39Å; K44-Q53 WeakPolarHBondContact O-CG 3.38Å; D49-Q53 PolarHBondContact O-N 3.1Å; D49-Q53 WeakPolarHBondContact OD2-CG 3.39Å; D49-Q53 PolarHBondContact OD2-NE2 3.12Å; Q53-I55 VanDerWaalsContact C-N 3.32Å; Q53-I55 PolarHBondContact O-N 2.94Å; Q53-Y56 WeakPolarHBondContact O-CB 3.49Å; Q53-Y56 PolarHBondContact O-N 3.44Å; Q53-Y56 VanDerWaalsContact O-N 3.11Å; Q53-V57 WeakPolarHBondContact O-CG2 3.46Å; Q53-V57 PolarHBondContact O-N 2.97Å |
| 54 | M | 95.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.5 | -33.3 | 175.2 | -175.1 | 55.2 | 66.8 | 0 | 0 | 113.8 | P45 R50 F52 Y56 V57 C58 T71 I74 W75 L78 | P45-M54 HydrophobicContact CB-CE 3.62Å; R50-M54 VanDerWaalsContact O-CB 3.24Å; R50-M54 WeakPolarHBondContact O-CB 3.33Å; R50-M54 PolarHBondContact O-N 3.31Å; F52-M54 VanDerWaalsContact C-N 3.26Å; F52-M54 PolarHBondContact O-N 3.46Å; M54-Y56 VanDerWaalsContact C-N 3.31Å; M54-Y56 PolarHBondContact O-N 2.93Å; M54-V57 PolarHBondContact O-N 3.46Å; M54-V57 HydrophobicContact SD-CB 4.19Å; M54-V57 HydrophobicContact SD-CG1 4.31Å; M54-C58 VanDerWaalsContact O-CB 3.23Å; M54-C58 WeakPolarHBondContact O-CB 3.34Å; M54-C58 PolarHBondContact O-N 3.06Å; M54-T71 HydrophobicContact CG-CG2 3.44Å; M54-T71 VanDerWaalsContact CG-CG2 3.44Å; M54-T71 HydrophobicContact SD-CG2 4.32Å; M54-I74 HydrophobicContact CE-CG2 4.06Å; M54-I74 HydrophobicContact SD-CB 4.09Å; M54-I74 HydrophobicContact SD-CG2 3.6Å; M54-W75 HydrophobicContact CB-CH2 4.4Å; M54-W75 HydrophobicContact CB-CZ2 3.65Å; M54-W75 HydrophobicContact CE-CD2 3.67Å; M54-W75 HydrophobicContact CE-CE3 3.82Å; M54-W75 HydrophobicContact CE-CG 4.33Å; M54-W75 HydrophobicContact CE-CH2 3.75Å; M54-W75 HydrophobicContact CE-CZ2 3.61Å; M54-W75 HydrophobicContact CE-CZ3 3.87Å; M54-W75 HydrophobicContact CG-CZ2 3.7Å; M54-L78 HydrophobicContact CE-CD1 3.54Å |
| 55 | I | 95.4 | Very high | 92.6 | Very high | 90 Ų | 90 | 58.6 Ų | 58.6 | 46% | 0.462 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.4 | -41.2 | 173.9 | -67.5 | 163.8 | 0 | 0 | 0 | 110 | H51 F52 Q53 C58 N59 | H51-I55 WeakPolarHBondContact O-CG1 3.23Å; H51-I55 PolarHBondContact O-N 3.36Å; F52-I55 WeakPolarHBondContact O-CB 3.3Å; F52-I55 PolarHBondContact O-N 3.31Å; Q53-I55 VanDerWaalsContact C-N 3.32Å; Q53-I55 PolarHBondContact O-N 2.94Å; I55-C58 PolarHBondContact O-N 2.91Å; I55-N59 WeakPolarHBondContact O-CB 3.34Å; I55-N59 PolarHBondContact O-N 3.43Å; I55-N59 PolarHBondContact O-ND2 2.9Å |
| 56 | Y | 95.5 | Very high | 92 | Very high | 129 Ų | 129 | 63.2 Ų | 63.2 | 51% | 0.506 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.1 | -44.9 | 174.6 | -66 | -72.1 | 0 | 0 | 0 | 112.4 | H43 F52 Q53 M54 C58 N59 L60 | H43-Y56 AromaticContact CE1-CG 3.65Å; H43-Y56 WeakPolarHBondContact ND1-CB 3.43Å; H43-Y56 AromaticContact ND1-CD2 3.95Å; H43-Y56 AromaticContact ND1-CG 3.82Å; F52-Y56 WeakPolarHBondContact O-CD2 3.37Å; F52-Y56 PolarHBondContact O-N 3.3Å; Q53-Y56 WeakPolarHBondContact O-CB 3.49Å; Q53-Y56 PolarHBondContact O-N 3.44Å; Q53-Y56 VanDerWaalsContact O-N 3.11Å; M54-Y56 VanDerWaalsContact C-N 3.31Å; M54-Y56 PolarHBondContact O-N 2.93Å; Y56-C58 PolarHBondContact O-N 2.92Å; Y56-N59 PolarHBondContact O-N 3.02Å; Y56-L60 VanDerWaalsContact O-CB 3.26Å; Y56-L60 WeakPolarHBondContact O-CB 3.38Å; Y56-L60 PolarHBondContact O-N 3.31Å |
| 57 | V | 95.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.4 | -48.5 | 174.7 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | L36 A39 I40 H43 Q53 M54 N59 L60 V61 I74 | L36-V57 HydrophobicContact CD1-CG1 3.71Å; A39-V57 HydrophobicContact CB-CB 4.41Å; A39-V57 HydrophobicContact CB-CG1 4.01Å; A39-V57 HydrophobicContact CB-CG2 4.4Å; I40-V57 HydrophobicContact CG2-CG1 4.27Å; I40-V57 HydrophobicContact CG2-CG2 4.29Å; H43-V57 HydrophobicContact CB-CG2 3.69Å; H43-V57 WeakPolarHBondContact O-CG2 3.43Å; Q53-V57 WeakPolarHBondContact O-CG2 3.46Å; Q53-V57 PolarHBondContact O-N 2.97Å; M54-V57 PolarHBondContact O-N 3.46Å; M54-V57 HydrophobicContact SD-CB 4.19Å; M54-V57 HydrophobicContact SD-CG1 4.31Å; V57-N59 PolarHBondContact O-N 3.16Å; V57-L60 PolarHBondContact O-N 3.27Å; V57-V61 HydrophobicContact CG1-CG2 4.44Å; V57-V61 WeakPolarHBondContact O-CG2 3.38Å; V57-V61 PolarHBondContact O-N 2.98Å; V57-I74 HydrophobicContact CG1-CG2 4.06Å |
| 58 | C | 94.7 | Very high | 91.5 | Very high | 11 Ų | 11 | 73.6 Ų | 73.6 | 7% | 0.074 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.6 | -44.1 | 179.6 | -170 | 0 | 0 | 0 | 0 | 112.5 | M54 I55 Y56 L60 N62 T71 I74 | M54-C58 VanDerWaalsContact O-CB 3.23Å; M54-C58 WeakPolarHBondContact O-CB 3.34Å; M54-C58 PolarHBondContact O-N 3.06Å; I55-C58 PolarHBondContact O-N 2.91Å; Y56-C58 PolarHBondContact O-N 2.92Å; C58-L60 VanDerWaalsContact C-N 3.34Å; C58-N62 VanDerWaalsContact O-CB 3.32Å; C58-N62 WeakPolarHBondContact O-CB 3.25Å; C58-N62 VanDerWaalsContact O-CG 3.31Å; C58-N62 PolarHBondContact O-N 3.49Å; C58-N62 PolarHBondContact O-ND2 3.03Å; C58-T71 PolarHBondContact SG-OG1 3.11Å; C58-T71 VanDerWaalsContact SG-OG1 3.37Å; C58-I74 VanDerWaalsContact CA-CD1 3.49Å; C58-I74 HydrophobicContact CB-CD1 3.71Å |
| 59 | N | 94.7 | Very high | 91.6 | Very high | 101 Ų | 101 | 70 Ų | 70 | 54% | 0.54 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -64.1 | -39.4 | 176.2 | -70.5 | -21.5 | 0 | 0 | 0 | 112 | I55 Y56 V57 S63 | I55-N59 WeakPolarHBondContact O-CB 3.34Å; I55-N59 PolarHBondContact O-N 3.43Å; I55-N59 PolarHBondContact O-ND2 2.9Å; Y56-N59 PolarHBondContact O-N 3.02Å; V57-N59 PolarHBondContact O-N 3.16Å; N59-S63 PolarHBondContact O-N 3.34Å; N59-S63 VanDerWaalsContact O-N 3.1Å |
| 60 | L | 93.6 | Very high | 91.7 | Very high | 51 Ų | 51 | 69.4 Ų | 69.4 | 27% | 0.267 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -78.1 | -24.7 | -176.1 | -176.1 | 55.5 | 0 | 0 | 0 | 113.3 | Q35 A39 Y56 V57 C58 S63 F64 | Q35-L60 VanDerWaalsContact CG-O 3.23Å; Q35-L60 WeakPolarHBondContact CG-O 3.43Å; Q35-L60 PolarHBondContact NE2-O 3.42Å; A39-L60 HydrophobicContact CB-CB 4.16Å; A39-L60 HydrophobicContact CB-CD2 3.77Å; A39-L60 HydrophobicContact CB-CG 4Å; Y56-L60 VanDerWaalsContact O-CB 3.26Å; Y56-L60 WeakPolarHBondContact O-CB 3.38Å; Y56-L60 PolarHBondContact O-N 3.31Å; V57-L60 PolarHBondContact O-N 3.27Å; C58-L60 VanDerWaalsContact C-N 3.34Å; L60-S63 PolarHBondContact O-OG 2.89Å; L60-S63 VanDerWaalsContact O-OG 3.11Å; L60-F64 HydrophobicContact CD1-CE2 4.05Å; L60-F64 WeakPolarHBondContact O-CD2 3.26Å |
| 61 | V | 93.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -73.7 | -49.7 | 167.1 | 173.8 | 0 | 0 | 0 | 0 | 110 | L36 A39 V57 S63 F64 V65 I69 | L36-V61 HydrophobicContact CB-CG2 4.13Å; L36-V61 HydrophobicContact CD1-CG2 4.16Å; A39-V61 HydrophobicContact CB-CG2 4.44Å; V57-V61 HydrophobicContact CG1-CG2 4.44Å; V57-V61 WeakPolarHBondContact O-CG2 3.38Å; V57-V61 PolarHBondContact O-N 2.98Å; V61-S63 PolarHBondContact O-N 2.67Å; V61-S63 VanDerWaalsContact O-N 3.12Å; V61-F64 PolarHBondContact O-N 3.25Å; V61-V65 HydrophobicContact CG1-CG2 4.17Å; V61-V65 WeakPolarHBondContact O-CG2 3.4Å; V61-V65 PolarHBondContact O-N 3.29Å; V61-I69 HydrophobicContact CG1-CD1 3.9Å |
| 62 | N | 93 | Very high | 91.6 | Very high | 50 Ų | 50 | 67.6 Ų | 67.6 | 27% | 0.267 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -4.6 | -177 | -68.9 | -24.7 | 0 | 0 | 0 | 114.7 | C58 I69 | C58-N62 VanDerWaalsContact O-CB 3.32Å; C58-N62 WeakPolarHBondContact O-CB 3.25Å; C58-N62 VanDerWaalsContact O-CG 3.31Å; C58-N62 PolarHBondContact O-N 3.49Å; C58-N62 PolarHBondContact O-ND2 3.03Å; N62-I69 PolarHBondContact ND2-O 3.45Å; N62-I69 PolarHBondContact OD1-N 3.35Å |
| 63 | S | 91.1 | Very high | 91.6 | Very high | 74 Ų | 74 | 62.6 Ų | 62.6 | 52% | 0.517 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -13.6 | 173.7 | 61.9 | 0 | 0 | 0 | 0 | 114.4 | N59 L60 V61 | N59-S63 PolarHBondContact O-N 3.34Å; N59-S63 VanDerWaalsContact O-N 3.1Å; L60-S63 PolarHBondContact O-OG 2.89Å; L60-S63 VanDerWaalsContact O-OG 3.11Å; V61-S63 PolarHBondContact O-N 2.67Å; V61-S63 VanDerWaalsContact O-N 3.12Å |
| 64 | F | 82.4 | Confident | 91.6 | Very high | 146 Ų | 146 | 60.7 Ų | 60.7 | 64% | 0.64 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.9 | -22.1 | -179.2 | -64.1 | -89.8 | 0 | 0 | 0 | 113.6 | Q35 L60 V61 | Q35-F64 HydrophobicContact CG-CB 4.28Å; Q35-F64 HydrophobicContact CG-CD2 3.8Å; Q35-F64 HydrophobicContact CG-CG 4.32Å; L60-F64 HydrophobicContact CD1-CE2 4.05Å; L60-F64 WeakPolarHBondContact O-CD2 3.26Å; V61-F64 PolarHBondContact O-N 3.25Å |
| 65 | V | 82.8 | Confident | 91.5 | Very high | 31 Ų | 31 | 63.8 Ų | 63.8 | 19% | 0.188 | 35% | 0.348 | C | S | . | . | trans | -90 | 139.9 | 179.2 | -172.8 | 0 | 0 | 0 | 0 | 109.8 | S32 V61 D67 | S32-V65 VanDerWaalsContact CB-CG2 3.46Å; V61-V65 HydrophobicContact CG1-CG2 4.17Å; V61-V65 WeakPolarHBondContact O-CG2 3.4Å; V61-V65 PolarHBondContact O-N 3.29Å; V65-D67 WeakPolarHBondContact CG1-O 3.33Å | ||
| 66 | S | 79.6 | Confident | 91.5 | Very high | 110 Ų | 110 | 66 Ų | 66 | 77% | 0.769 | 35% | 0.354 | S | S | * | . | S | Bend | trans | -70.4 | -35.8 | 178 | 52.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 67 | D | 84.6 | Confident | 91.4 | Very high | 116 Ų | 116 | 61.3 Ų | 61.3 | 62% | 0.62 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -98.5 | 124.7 | -177 | -59.2 | -32.6 | 0 | 0 | 0 | 109.6 | V65 I69 | V65-D67 WeakPolarHBondContact CG1-O 3.33Å; D67-I69 PolarHBondContact O-N 3.18Å |
| 68 | P | 88.6 | Confident | 91.3 | Very high | 115 Ų | 115 | 61.3 Ų | 61.3 | 75% | 0.747 | 34% | 0.337 | S | S | * | . | P | Polyproline II helix | trans | -72.6 | 116.6 | -174.8 | 28.1 | -34.1 | 0 | 0 | 0 | 111.2 | ||
| 69 | I | 91.7 | Very high | 91.3 | Very high | 5 Ų | 5 | 63.1 Ų | 63.1 | 3% | 0.026 | 36% | 0.357 | C | S | . | . | P | Polyproline II helix | trans | -81.8 | 131.3 | 176.3 | -54.7 | -173.8 | 0 | 0 | 0 | 109.1 | V27 W28 V61 N62 D67 D73 I74 | V27-I69 HydrophobicContact CG1-CG1 4.35Å; W28-I69 HydrophobicContact CE3-CD1 4.09Å; W28-I69 HydrophobicContact CH2-CD1 4.08Å; W28-I69 HydrophobicContact CH2-CG2 4.08Å; W28-I69 HydrophobicContact CZ2-CD1 4.49Å; W28-I69 HydrophobicContact CZ2-CG2 3.93Å; W28-I69 HydrophobicContact CZ3-CD1 3.86Å; V61-I69 HydrophobicContact CG1-CD1 3.9Å; N62-I69 PolarHBondContact ND2-O 3.45Å; N62-I69 PolarHBondContact OD1-N 3.35Å; D67-I69 PolarHBondContact O-N 3.18Å; I69-D73 HydrophobicContact CG2-CB 4.04Å; I69-I74 HydrophobicContact CG2-CG1 3.83Å |
| 70 | S | 93.5 | Very high | 91.2 | Very high | 54 Ų | 54 | 63.2 Ų | 63.2 | 38% | 0.378 | 37% | 0.365 | S | S | . | . | P | Polyproline II helix | trans | -72 | 144.5 | 175.2 | -175.9 | 0 | 0 | 0 | 0 | 110.9 | D72 D73 I74 | S70-D72 PolarHBondContact O-N 2.93Å; S70-D72 VanDerWaalsContact O-N 3.11Å; S70-D72 PolarHBondContact OG-N 3.37Å; S70-D73 WeakPolarHBondContact CB-OD2 3.12Å; S70-D73 PolarHBondContact O-N 2.99Å; S70-I74 PolarHBondContact O-N 3.07Å |
| 71 | T | 94.4 | Very high | 91.2 | Very high | 48 Ų | 48 | 64.8 Ų | 64.8 | 29% | 0.294 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -50.7 | -35.9 | 171.5 | -55.8 | 0 | 0 | 0 | 0 | 112.7 | M54 C58 D73 I74 W75 | M54-T71 HydrophobicContact CG-CG2 3.44Å; M54-T71 VanDerWaalsContact CG-CG2 3.44Å; M54-T71 HydrophobicContact SD-CG2 4.32Å; C58-T71 PolarHBondContact SG-OG1 3.11Å; C58-T71 VanDerWaalsContact SG-OG1 3.37Å; T71-D73 VanDerWaalsContact C-N 3.32Å; T71-D73 PolarHBondContact O-N 3.34Å; T71-I74 PolarHBondContact O-N 2.86Å; T71-W75 PolarHBondContact O-N 2.85Å |
| 72 | D | 94.5 | Very high | 91.2 | Very high | 103 Ų | 103 | 69.5 Ų | 69.5 | 55% | 0.551 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -65.7 | -33.8 | 178 | -63.7 | -28.8 | 0 | 0 | 0 | 112.8 | S70 W75 K76 | S70-D72 PolarHBondContact O-N 2.93Å; S70-D72 VanDerWaalsContact O-N 3.11Å; S70-D72 PolarHBondContact OG-N 3.37Å; D72-W75 PolarHBondContact O-N 3.25Å; D72-K76 VanDerWaalsContact O-CG 3.28Å; D72-K76 WeakPolarHBondContact O-CG 3.43Å; D72-K76 PolarHBondContact O-N 2.61Å |
| 73 | D | 93.7 | Very high | 91.3 | Very high | 40 Ų | 40 | 71.2 Ų | 71.2 | 21% | 0.214 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -77.1 | -32.5 | 179 | -60 | -44.7 | 0 | 0 | 0 | 111 | I69 S70 T71 K76 K77 | I69-D73 HydrophobicContact CG2-CB 4.04Å; S70-D73 WeakPolarHBondContact CB-OD2 3.12Å; S70-D73 PolarHBondContact O-N 2.99Å; T71-D73 VanDerWaalsContact C-N 3.32Å; T71-D73 PolarHBondContact O-N 3.34Å; D73-K76 PolarHBondContact O-N 2.93Å; D73-K76 IonicContact OD1-NZ 2.67Å; D73-K76 PolarHBondContact OD1-NZ 3.45Å; D73-K77 WeakPolarHBondContact O-CB 3.47Å; D73-K77 PolarHBondContact O-N 3.07Å |
| 74 | I | 94.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.5 | -46.8 | 169 | -53.8 | 178.5 | 0 | 0 | 0 | 110.4 | W28 L36 M54 V57 C58 I69 S70 T71 K76 K77 L78 | W28-I74 HydrophobicContact CH2-CB 4.48Å; W28-I74 HydrophobicContact CH2-CG1 4.01Å; W28-I74 HydrophobicContact CZ2-CG1 4.31Å; L36-I74 HydrophobicContact CD1-CG2 3.72Å; M54-I74 HydrophobicContact CE-CG2 4.06Å; M54-I74 HydrophobicContact SD-CB 4.09Å; M54-I74 HydrophobicContact SD-CG2 3.6Å; V57-I74 HydrophobicContact CG1-CG2 4.06Å; C58-I74 VanDerWaalsContact CA-CD1 3.49Å; C58-I74 HydrophobicContact CB-CD1 3.71Å; I69-I74 HydrophobicContact CG2-CG1 3.83Å; S70-I74 PolarHBondContact O-N 3.07Å; T71-I74 PolarHBondContact O-N 2.86Å; I74-K76 PolarHBondContact O-N 3.2Å; I74-K77 PolarHBondContact O-N 2.89Å; I74-L78 HydrophobicContact CG2-CD1 3.94Å; I74-L78 HydrophobicContact CG2-CG 4.4Å; I74-L78 WeakPolarHBondContact O-CB 3.24Å; I74-L78 WeakPolarHBondContact O-CG 3.46Å; I74-L78 PolarHBondContact O-N 3.39Å |
| 75 | W | 95.4 | Very high | 91.9 | Very high | 65 Ų | 65 | 69.8 Ų | 69.8 | 25% | 0.246 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -59.3 | -44 | 174.7 | -76.3 | 116 | 0 | 0 | 0 | 112.6 | P45 R50 H51 M54 T71 D72 L78 G79 M84 | P45-W75 WeakPolarHBondContact O-CH2 3.49Å; P45-W75 WeakPolarHBondContact O-CZ3 3.4Å; R50-W75 HydrophobicContact CB-CH2 4.25Å; R50-W75 HydrophobicContact CG-CH2 4.34Å; H51-W75 AromaticContact ND1-CZ2 3.97Å; M54-W75 HydrophobicContact CB-CH2 4.4Å; M54-W75 HydrophobicContact CB-CZ2 3.65Å; M54-W75 HydrophobicContact CE-CD2 3.67Å; M54-W75 HydrophobicContact CE-CE3 3.82Å; M54-W75 HydrophobicContact CE-CG 4.33Å; M54-W75 HydrophobicContact CE-CH2 3.75Å; M54-W75 HydrophobicContact CE-CZ2 3.61Å; M54-W75 HydrophobicContact CE-CZ3 3.87Å; M54-W75 HydrophobicContact CG-CZ2 3.7Å; T71-W75 PolarHBondContact O-N 2.85Å; D72-W75 PolarHBondContact O-N 3.25Å; W75-L78 PolarHBondContact O-N 2.89Å; W75-G79 PolarHBondContact O-N 3.13Å; W75-M84 HydrophobicContact CE3-CE 4.15Å; W75-M84 HydrophobicContact CZ3-CE 3.61Å |
| 76 | K | 94.1 | Very high | 92.4 | Very high | 137 Ų | 137 | 74.4 Ų | 74.4 | 60% | 0.596 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -61.2 | -45 | 176.5 | -69.2 | 166.1 | -153 | 162 | 0 | 111.9 | D72 D73 I74 G79 S80 | D72-K76 VanDerWaalsContact O-CG 3.28Å; D72-K76 WeakPolarHBondContact O-CG 3.43Å; D72-K76 PolarHBondContact O-N 2.61Å; D73-K76 PolarHBondContact O-N 2.93Å; D73-K76 IonicContact OD1-NZ 2.67Å; D73-K76 PolarHBondContact OD1-NZ 3.45Å; I74-K76 PolarHBondContact O-N 3.2Å; K76-G79 PolarHBondContact O-N 2.86Å; K76-S80 WeakPolarHBondContact O-CB 3.45Å; K76-S80 PolarHBondContact O-N 3.11Å |
| 77 | K | 93.7 | Very high | 93 | Very high | 30 Ų | 30 | 72.4 Ų | 72.4 | 13% | 0.13 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 179.4 | -166.9 | 66.9 | 162.5 | -167 | 0 | 111.1 | D26 W28 E33 L36 D73 I74 S80 L81 | D26-K77 IonicContact OD2-NZ 3.16Å; D26-K77 PolarHBondContact OD2-NZ 3.12Å; D26-K77 VanDerWaalsContact OD2-NZ 3.16Å; W28-K77 HydrophobicContact CD2-CB 4.33Å; W28-K77 HydrophobicContact CD2-CD 4.01Å; W28-K77 HydrophobicContact CD2-CG 3.86Å; W28-K77 HydrophobicContact CE3-CG 4.38Å; W28-K77 HydrophobicContact CG-CD 3.85Å; W28-K77 HydrophobicContact CG-CG 4.26Å; W28-K77 HydrophobicContact CH2-CB 4.26Å; W28-K77 HydrophobicContact CH2-CG 4.39Å; W28-K77 HydrophobicContact CZ2-CB 3.5Å; W28-K77 HydrophobicContact CZ2-CG 3.89Å; E33-K77 WeakPolarHBondContact OE1-CE 3.39Å; E33-K77 IonicContact OE1-NZ 2.65Å; E33-K77 PolarHBondContact OE1-NZ 3.27Å; L36-K77 HydrophobicContact CD2-CG 4.09Å; D73-K77 WeakPolarHBondContact O-CB 3.47Å; D73-K77 PolarHBondContact O-N 3.07Å; I74-K77 PolarHBondContact O-N 2.89Å; K77-S80 WeakPolarHBondContact O-CB 3.44Å; K77-S80 PolarHBondContact O-N 3.3Å; K77-L81 HydrophobicContact CG-CD1 4.15Å; K77-L81 WeakPolarHBondContact O-CG 3.35Å; K77-L81 PolarHBondContact O-N 3.2Å; K77-L81 VanDerWaalsContact O-N 3.12Å |
| 78 | L | 94.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 175.8 | -69.7 | 172.1 | 0 | 0 | 0 | 112.4 | L36 I40 P45 M54 I74 W75 S80 L81 Y82 M84 | L36-L78 HydrophobicContact CD1-CD2 4.37Å; L36-L78 HydrophobicContact CD2-CD2 4.22Å; L36-L78 HydrophobicContact CG-CD2 4.46Å; I40-L78 HydrophobicContact CD1-CD2 4.26Å; I40-L78 HydrophobicContact CG2-CD2 4.07Å; P45-L78 HydrophobicContact CB-CD1 3.98Å; P45-L78 HydrophobicContact CG-CD1 3.85Å; M54-L78 HydrophobicContact CE-CD1 3.54Å; I74-L78 HydrophobicContact CG2-CD1 3.94Å; I74-L78 HydrophobicContact CG2-CG 4.4Å; I74-L78 WeakPolarHBondContact O-CB 3.24Å; I74-L78 WeakPolarHBondContact O-CG 3.46Å; I74-L78 PolarHBondContact O-N 3.39Å; W75-L78 PolarHBondContact O-N 2.89Å; L78-S80 PolarHBondContact O-N 3.13Å; L78-L81 PolarHBondContact O-N 3.44Å; L78-Y82 HydrophobicContact CD2-CD2 4.12Å; L78-Y82 HydrophobicContact CD2-CE2 4.27Å; L78-Y82 PolarHBondContact O-N 3.37Å; L78-M84 HydrophobicContact CB-CE 4.43Å; L78-M84 HydrophobicContact CB-SD 4.05Å |
| 79 | G | 94.2 | Very high | 93.4 | Very high | 49 Ų | 49 | 71 Ų | 71 | 51% | 0.505 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.5 | -18 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | W75 K76 | W75-G79 PolarHBondContact O-N 3.13Å; K76-G79 PolarHBondContact O-N 2.86Å |
| 80 | S | 92.8 | Very high | 93.2 | Very high | 102 Ų | 102 | 74.5 Ų | 74.5 | 71% | 0.713 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -81.8 | -30.9 | 171.2 | -168.8 | 0 | 0 | 0 | 0 | 112.3 | K76 K77 L78 | K76-S80 WeakPolarHBondContact O-CB 3.45Å; K76-S80 PolarHBondContact O-N 3.11Å; K77-S80 WeakPolarHBondContact O-CB 3.44Å; K77-S80 PolarHBondContact O-N 3.3Å; L78-S80 PolarHBondContact O-N 3.13Å |
| 81 | L | 92.4 | Very high | 93 | Very high | 84 Ų | 84 | 74.6 Ų | 74.6 | 44% | 0.44 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -95.2 | -29.2 | -176.4 | -65.3 | 173.7 | 0 | 0 | 0 | 113.8 | F37 K77 L78 | F37-L81 HydrophobicContact CE1-CD1 4.05Å; F37-L81 HydrophobicContact CZ-CD1 3.99Å; K77-L81 HydrophobicContact CG-CD1 4.15Å; K77-L81 WeakPolarHBondContact O-CG 3.35Å; K77-L81 PolarHBondContact O-N 3.2Å; K77-L81 VanDerWaalsContact O-N 3.12Å; L78-L81 PolarHBondContact O-N 3.44Å |
| 82 | Y | 94.3 | Very high | 92.4 | Very high | 99 Ų | 99 | 77.8 Ų | 77.8 | 39% | 0.388 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -137 | 144.8 | -171.5 | -62.5 | -80.3 | 0 | 0 | 0 | 111.8 | I40 L78 M84 L87 | I40-Y82 HydrophobicContact CD1-CE2 3.95Å; L78-Y82 HydrophobicContact CD2-CD2 4.12Å; L78-Y82 HydrophobicContact CD2-CE2 4.27Å; L78-Y82 PolarHBondContact O-N 3.37Å; Y82-M84 PolarHBondContact O-N 3.43Å; Y82-L87 HydrophobicContact CD1-CD1 4.29Å; Y82-L87 HydrophobicContact CG-CD1 4.31Å |
| 83 | N | 94.6 | Very high | 91.4 | Very high | 87 Ų | 87 | 75.9 Ų | 75.9 | 47% | 0.465 | 40% | 0.401 | S | S | . | . | trans | -74.5 | 89.8 | 168.3 | -172.9 | 3.3 | 0 | 0 | 0 | 110.3 | E85 E86 L87 | N83-E85 VanDerWaalsContact C-N 3.27Å; N83-E85 PolarHBondContact O-N 2.92Å; N83-E86 HydrophobicContact CB-CB 4.15Å; N83-E86 WeakPolarHBondContact ND2-CB 3.2Å; N83-E86 PolarHBondContact ND2-OE2 2.85Å; N83-E86 PolarHBondContact O-N 3.39Å; N83-L87 WeakPolarHBondContact O-CG 3.23Å; N83-L87 PolarHBondContact O-N 3.34Å; N83-L87 VanDerWaalsContact O-N 3.12Å | ||
| 84 | M | 93.1 | Very high | 90.4 | Very high | 34 Ų | 34 | 79.2 Ų | 79.2 | 17% | 0.167 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -66.3 | -25.4 | -173.9 | -65.8 | -60.5 | -70.9 | 0 | 0 | 114 | P45 V46 W75 L78 Y82 L87 H88 | P45-M84 HydrophobicContact CB-CE 4.22Å; P45-M84 HydrophobicContact CG-CE 4.07Å; P45-M84 WeakPolarHBondContact O-CE 3.38Å; V46-M84 HydrophobicContact CG1-CE 3.79Å; W75-M84 HydrophobicContact CE3-CE 4.15Å; W75-M84 HydrophobicContact CZ3-CE 3.61Å; L78-M84 HydrophobicContact CB-CE 4.43Å; L78-M84 HydrophobicContact CB-SD 4.05Å; Y82-M84 PolarHBondContact O-N 3.43Å; M84-L87 HydrophobicContact SD-CD1 4.36Å; M84-H88 WeakPolarHBondContact O-CB 3.36Å; M84-H88 PolarHBondContact O-N 2.98Å; M84-H88 VanDerWaalsContact O-N 3.1Å |
| 85 | E | 92.5 | Very high | 89.3 | Confident | 155 Ų | 155 | 86.6 Ų | 86.6 | 72% | 0.724 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -71.4 | -50.9 | 177.3 | -62.3 | -173.3 | 162.7 | 0 | 0 | 110.7 | N83 L87 H88 D89 | N83-E85 VanDerWaalsContact C-N 3.27Å; N83-E85 PolarHBondContact O-N 2.92Å; E85-L87 VanDerWaalsContact C-N 3.33Å; E85-L87 PolarHBondContact O-N 2.9Å; E85-H88 WeakPolarHBondContact O-CB 3.41Å; E85-H88 PolarHBondContact O-N 2.8Å; E85-D89 PolarHBondContact O-N 3.06Å |
| 86 | E | 93.7 | Very high | 88 | Confident | 129 Ų | 129 | 90.3 Ų | 90.3 | 60% | 0.603 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.4 | -40.4 | 176.6 | 178.5 | 176.8 | -172.2 | 0 | 0 | 112.4 | N83 H88 D89 S90 | N83-E86 HydrophobicContact CB-CB 4.15Å; N83-E86 WeakPolarHBondContact ND2-CB 3.2Å; N83-E86 PolarHBondContact ND2-OE2 2.85Å; N83-E86 PolarHBondContact O-N 3.39Å; E86-H88 VanDerWaalsContact C-N 3.34Å; E86-H88 PolarHBondContact O-N 3.06Å; E86-D89 PolarHBondContact O-N 3.36Å; E86-S90 WeakPolarHBondContact O-CB 3.45Å; E86-S90 PolarHBondContact O-N 3.37Å; E86-S90 PolarHBondContact O-OG 3.49Å |
| 87 | L | 92.9 | Very high | 87 | Confident | 67 Ų | 67 | 88.8 Ų | 88.8 | 35% | 0.351 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.9 | -35.2 | 174.6 | -68.6 | 176.3 | 0 | 0 | 0 | 112.5 | V46 Y82 N83 M84 E85 S90 | V46-L87 HydrophobicContact CG1-CB 3.79Å; Y82-L87 HydrophobicContact CD1-CD1 4.29Å; Y82-L87 HydrophobicContact CG-CD1 4.31Å; N83-L87 WeakPolarHBondContact O-CG 3.23Å; N83-L87 PolarHBondContact O-N 3.34Å; N83-L87 VanDerWaalsContact O-N 3.12Å; M84-L87 HydrophobicContact SD-CD1 4.36Å; E85-L87 VanDerWaalsContact C-N 3.33Å; E85-L87 PolarHBondContact O-N 2.9Å; L87-S90 PolarHBondContact O-OG 3.11Å |
| 88 | H | 90.8 | Very high | 86.4 | Confident | 64 Ų | 64 | 95.8 Ų | 95.8 | 30% | 0.296 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.6 | -45.1 | 176 | -178.6 | 56.9 | 0 | 0 | 0 | 111.9 | G47 R50 M84 E85 E86 S90 E91 | G47-H88 PolarHBondContact N-ND1 3.26Å; G47-H88 PolarHBondContact O-CE1 3.26Å; G47-H88 PolarHBondContact O-ND1 2.98Å; R50-H88 PolarHBondContact NH1-CE1 2.92Å; R50-H88 PolarHBondContact NH1-NE2 2.76Å; M84-H88 WeakPolarHBondContact O-CB 3.36Å; M84-H88 PolarHBondContact O-N 2.98Å; M84-H88 VanDerWaalsContact O-N 3.1Å; E85-H88 WeakPolarHBondContact O-CB 3.41Å; E85-H88 PolarHBondContact O-N 2.8Å; E86-H88 VanDerWaalsContact C-N 3.34Å; E86-H88 PolarHBondContact O-N 3.06Å; H88-S90 VanDerWaalsContact C-N 3.34Å; H88-E91 WeakPolarHBondContact O-CB 3.5Å; H88-E91 PolarHBondContact O-N 3.33Å |
| 89 | D | 89.2 | Confident | 85.9 | Confident | 137 Ų | 137 | 105.3 Ų | 105.3 | 73% | 0.733 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -71.4 | -28.4 | -179.6 | -72.7 | -8.4 | 0 | 0 | 0 | 112.8 | E85 E86 E91 | E85-D89 PolarHBondContact O-N 3.06Å; E86-D89 PolarHBondContact O-N 3.36Å; D89-E91 PolarHBondContact O-N 2.97Å |
| 90 | S | 89.3 | Confident | 85.5 | Confident | 80 Ų | 80 | 111.1 Ų | 111.1 | 56% | 0.559 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -12.4 | 175.5 | 76.9 | 0 | 0 | 0 | 0 | 114.6 | E86 L87 H88 V92 | E86-S90 WeakPolarHBondContact O-CB 3.45Å; E86-S90 PolarHBondContact O-N 3.37Å; E86-S90 PolarHBondContact O-OG 3.49Å; L87-S90 PolarHBondContact O-OG 3.11Å; H88-S90 VanDerWaalsContact C-N 3.34Å; S90-V92 PolarHBondContact O-N 2.96Å |
| 91 | E | 88 | Confident | 85.5 | Confident | 56 Ų | 56 | 114.2 Ų | 114.2 | 26% | 0.262 | 58% | 0.576 | S | S | . | * | trans | -78.1 | 111.5 | -172 | 179.4 | 119.6 | -132.7 | 0 | 0 | 112.6 | K44 V46 G47 H88 D89 N93 | K44-E91 IonicContact NZ-OE1 2.63Å; K44-E91 PolarHBondContact NZ-OE1 3.1Å; K44-E91 IonicContact NZ-OE2 2.61Å; K44-E91 PolarHBondContact NZ-OE2 3.35Å; V46-E91 VanDerWaalsContact CG2-OE2 3.25Å; V46-E91 WeakPolarHBondContact CG2-OE2 3.43Å; G47-E91 WeakPolarHBondContact CA-OE2 3.32Å; G47-E91 PolarHBondContact N-OE2 2.99Å; G47-E91 VanDerWaalsContact N-OE2 3.07Å; H88-E91 WeakPolarHBondContact O-CB 3.5Å; H88-E91 PolarHBondContact O-N 3.33Å; D89-E91 PolarHBondContact O-N 2.97Å; E91-N93 PolarHBondContact O-N 2.95Å | ||
| 92 | V | 81.1 | Confident | 85.4 | Confident | 114 Ų | 114 | 118 Ų | 118 | 69% | 0.691 | 59% | 0.589 | S | S | * | * | trans | -71.6 | 96.3 | 170 | -174.6 | 0 | 0 | 0 | 0 | 109.9 | S90 P94 | S90-V92 PolarHBondContact O-N 2.96Å; V92-P94 WeakPolarHBondContact O-CD 3.26Å | ||
| 93 | N | 73.8 | Confident | 85.3 | Confident | 63 Ų | 63 | 117 Ų | 117 | 34% | 0.337 | 60% | 0.597 | S | S | . | * | trans | -60.4 | 119 | 170.2 | -178.5 | -0.8 | 0 | 0 | 0 | 110.2 | E91 F95 | E91-N93 PolarHBondContact O-N 2.95Å; N93-F95 PolarHBondContact O-N 3.46Å; N93-F95 WeakPolarHBondContact OD1-CB 3.41Å; N93-F95 WeakPolarHBondContact OD1-CD2 3.44Å; N93-F95 PolarHBondContact OD1-N 3.48Å | ||
| 94 | P | 73.1 | Confident | 85 | Confident | 110 Ų | 110 | 116.2 Ų | 116.2 | 71% | 0.714 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -64.9 | -24.6 | 178.6 | 27.4 | -35.4 | 0 | 0 | 0 | 112.2 | V92 Q96 | V92-P94 WeakPolarHBondContact O-CD 3.26Å; P94-Q96 PolarHBondContact O-N 3.24Å |
| 95 | F | 70.8 | Confident | 85.1 | Confident | 155 Ų | 155 | 117.7 Ų | 117.7 | 68% | 0.68 | 60% | 0.604 | S | S | * | * | trans | -80 | 72.2 | 169.9 | -49 | -66.9 | 0 | 0 | 0 | 109.8 | N93 S97 | N93-F95 PolarHBondContact O-N 3.46Å; N93-F95 WeakPolarHBondContact OD1-CB 3.41Å; N93-F95 WeakPolarHBondContact OD1-CD2 3.44Å; N93-F95 PolarHBondContact OD1-N 3.48Å; F95-S97 PolarHBondContact O-N 2.8Å | ||
| 96 | Q | 68.9 | Low | 85.1 | Confident | 144 Ų | 144 | 118.4 Ų | 118.4 | 67% | 0.673 | 61% | 0.608 | S | S | * | * | trans | -68.3 | 71 | 163.6 | -67.7 | -170.5 | -3.6 | 0 | 0 | 109.7 | P94 K98 | P94-Q96 PolarHBondContact O-N 3.24Å; Q96-K98 VanDerWaalsContact C-N 3.25Å; Q96-K98 PolarHBondContact O-N 2.77Å | ||
| 97 | S | 73.9 | Confident | 85 | Confident | 105 Ų | 105 | 118.7 Ų | 118.7 | 73% | 0.734 | 61% | 0.609 | S | S | * | * | trans | -66.5 | 82.9 | 177.9 | -66.6 | 0 | 0 | 0 | 0 | 109.9 | F95 M99 | F95-S97 PolarHBondContact O-N 2.8Å; S97-M99 PolarHBondContact O-N 3.35Å | ||
| 98 | K | 80.9 | Confident | 85 | Confident | 177 Ų | 177 | 119.9 Ų | 119.9 | 77% | 0.77 | 61% | 0.61 | S | S | * | * | trans | -57.7 | 129.2 | 168.8 | -62.9 | -179.3 | -176.1 | 179.3 | 0 | 107.9 | Q96 K100 | Q96-K98 VanDerWaalsContact C-N 3.25Å; Q96-K98 PolarHBondContact O-N 2.77Å; K98-K100 PolarHBondContact O-N 3.1Å; K98-K100 VanDerWaalsContact O-N 3.1Å | ||
| 99 | M | 83.5 | Confident | 84.9 | Confident | 200 Ų | 200 | 120.3 Ų | 120.3 | 99% | 0.985 | 61% | 0.614 | S | S | * | * | trans | -58.2 | 119.4 | 173.8 | -60.5 | -175.3 | -141 | 0 | 0 | 108.6 | S97 | S97-M99 PolarHBondContact O-N 3.35Š| ||
| 100 | K | 86.8 | Confident | 84.9 | Confident | 172 Ų | 172 | 117.3 Ų | 117.3 | 75% | 0.748 | 60% | 0.604 | S | S | * | * | trans | -134.4 | 137.3 | 177.3 | -174.1 | -170.1 | 171.3 | -171.8 | 0 | 107.4 | K98 F102 | K98-K100 PolarHBondContact O-N 3.1Å; K98-K100 VanDerWaalsContact O-N 3.1Å; K100-F102 PolarHBondContact O-N 3.18Å | ||
| 101 | E | 91.4 | Very high | 84.7 | Confident | 167 Ų | 167 | 117.6 Ų | 117.6 | 78% | 0.78 | 60% | 0.599 | S | S | * | * | trans | -55.2 | 136 | 172.2 | -170.2 | 53 | -122.6 | 0 | 0 | 110.5 | S103 | E101-S103 PolarHBondContact O-N 3.46Š| ||
| 102 | F | 91 | Very high | 84.6 | Confident | 163 Ų | 163 | 120 Ų | 120 | 72% | 0.715 | 61% | 0.608 | S | S | * | * | trans | -76.6 | 108.8 | -176.2 | 173.8 | -95.9 | 0 | 0 | 0 | 110.3 | K100 L104 | K100-F102 PolarHBondContact O-N 3.18Å; F102-L104 HydrophobicContact CE1-CB 4.2Å; F102-L104 HydrophobicContact CE1-CD1 4.48Å; F102-L104 HydrophobicContact CZ-CB 4.27Å; F102-L104 HydrophobicContact CZ-CD1 3.85Å | ||
| 103 | S | 91.6 | Very high | 84.9 | Confident | 79 Ų | 79 | 119.2 Ų | 119.2 | 55% | 0.552 | 61% | 0.608 | S | S | * | * | trans | -108.2 | 117.5 | 168.9 | 61.5 | 0 | 0 | 0 | 0 | 109.6 | E101 | E101-S103 PolarHBondContact O-N 3.46Š| ||
| 104 | L | 89.6 | Confident | 85.5 | Confident | 69 Ų | 69 | 120.1 Ų | 120.1 | 36% | 0.361 | 61% | 0.612 | S | S | . | * | trans | -66.2 | 135 | 171.6 | -167.3 | 69.7 | 0 | 0 | 0 | 109.6 | F102 Y108 K112 | F102-L104 HydrophobicContact CE1-CB 4.2Å; F102-L104 HydrophobicContact CE1-CD1 4.48Å; F102-L104 HydrophobicContact CZ-CB 4.27Å; F102-L104 HydrophobicContact CZ-CD1 3.85Å; L104-Y108 HydrophobicContact CD1-CD2 3.9Å; L104-Y108 HydrophobicContact CD1-CE2 4.48Å; L104-Y108 HydrophobicContact CD1-CG 4.24Å; L104-Y108 HydrophobicContact CD2-CD2 4.25Å; L104-Y108 HydrophobicContact CD2-CG 3.95Å; L104-Y108 HydrophobicContact CG-CD2 3.75Å; L104-Y108 HydrophobicContact CG-CG 3.98Å; L104-K112 HydrophobicContact CD2-CD 3.73Å; L104-K112 HydrophobicContact CD2-CG 4.12Å | ||
| 105 | P | 93.5 | Very high | 86.2 | Confident | 65 Ų | 65 | 123.9 Ų | 123.9 | 42% | 0.422 | 62% | 0.618 | S | S | . | * | trans | -57.9 | 150.6 | 177.6 | -25.7 | 34.9 | 0 | 0 | 0 | 113.5 | E107 Y108 | P105-E107 HydrophobicContact CB-CG 4.12Å; P105-E107 PolarHBondContact O-N 3.05Å; P105-Y108 HydrophobicContact CB-CD2 3.99Å; P105-Y108 HydrophobicContact CB-CE2 4.03Å; P105-Y108 HydrophobicContact CG-CD2 4.24Å; P105-Y108 HydrophobicContact CG-CE2 4.03Å; P105-Y108 WeakPolarHBondContact O-CD2 3.41Å; P105-Y108 PolarHBondContact O-N 3.13Å; P105-Y108 VanDerWaalsContact O-N 3.13Å | ||
| 106 | E | 92.3 | Very high | 86.8 | Confident | 170 Ų | 170 | 124.9 Ų | 124.9 | 79% | 0.794 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -60.4 | -27.7 | -174.6 | -62.3 | 178.4 | 179.2 | 0 | 0 | 113 | Y108 D109 | E106-Y108 PolarHBondContact O-N 3.18Å; E106-D109 WeakPolarHBondContact O-CB 3.41Å; E106-D109 PolarHBondContact O-N 2.63Å |
| 107 | E | 93.1 | Very high | 87.6 | Confident | 136 Ų | 136 | 123.3 Ų | 123.3 | 64% | 0.636 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -55.1 | -25.8 | 175.9 | 70.3 | -159.4 | -147.3 | 0 | 0 | 113.7 | P105 | P105-E107 HydrophobicContact CB-CG 4.12Å; P105-E107 PolarHBondContact O-N 3.05Å |
| 108 | Y | 91.5 | Very high | 87.7 | Confident | 92 Ų | 92 | 122 Ų | 122 | 36% | 0.361 | 60% | 0.599 | S | S | . | * | G | 310 helix | trans | -91.2 | 0 | 179.7 | -58.3 | -76.6 | 0 | 0 | 0 | 114.3 | L104 P105 E106 S110 L111 K112 | L104-Y108 HydrophobicContact CD1-CD2 3.9Å; L104-Y108 HydrophobicContact CD1-CE2 4.48Å; L104-Y108 HydrophobicContact CD1-CG 4.24Å; L104-Y108 HydrophobicContact CD2-CD2 4.25Å; L104-Y108 HydrophobicContact CD2-CG 3.95Å; L104-Y108 HydrophobicContact CG-CD2 3.75Å; L104-Y108 HydrophobicContact CG-CG 3.98Å; P105-Y108 HydrophobicContact CB-CD2 3.99Å; P105-Y108 HydrophobicContact CB-CE2 4.03Å; P105-Y108 HydrophobicContact CG-CD2 4.24Å; P105-Y108 HydrophobicContact CG-CE2 4.03Å; P105-Y108 WeakPolarHBondContact O-CD2 3.41Å; P105-Y108 PolarHBondContact O-N 3.13Å; P105-Y108 VanDerWaalsContact O-N 3.13Å; E106-Y108 PolarHBondContact O-N 3.18Å; Y108-S110 PolarHBondContact O-N 2.99Å; Y108-L111 HydrophobicContact CD1-CD1 4.22Å; Y108-L111 PolarHBondContact O-N 3.3Å; Y108-K112 PolarHBondContact O-N 2.95Å |
| 109 | D | 90.3 | Very high | 87.4 | Confident | 72 Ų | 72 | 119.3 Ų | 119.3 | 39% | 0.385 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -63.6 | -31.4 | -178.6 | -81.4 | -33.5 | 0 | 0 | 0 | 112.9 | E106 L111 K112 S113 | E106-D109 WeakPolarHBondContact O-CB 3.41Å; E106-D109 PolarHBondContact O-N 2.63Å; D109-L111 PolarHBondContact O-N 3.07Å; D109-K112 PolarHBondContact O-N 2.98Å; D109-K112 WeakPolarHBondContact OD1-CD 3.49Å; D109-K112 WeakPolarHBondContact OD1-CE 3.14Å; D109-K112 IonicContact OD1-NZ 2.86Å; D109-K112 PolarHBondContact OD1-NZ 3.47Å; D109-S113 PolarHBondContact O-N 3.2Å |
| 110 | S | 88 | Confident | 86.6 | Confident | 75 Ų | 75 | 115 Ų | 115 | 52% | 0.524 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -54.2 | -50 | 168.7 | 60.2 | 0 | 0 | 0 | 0 | 111.7 | Y108 S113 | Y108-S110 PolarHBondContact O-N 2.99Å; S110-S113 PolarHBondContact O-N 3.04Å; S110-S113 PolarHBondContact O-OG 3.3Å |
| 111 | L | 86.5 | Confident | 85.4 | Confident | 86 Ų | 86 | 112.2 Ų | 112.2 | 45% | 0.45 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -70 | -31.2 | 177.1 | -59.2 | -176.1 | 0 | 0 | 0 | 112.8 | Y108 D109 S113 L114 R118 | Y108-L111 HydrophobicContact CD1-CD1 4.22Å; Y108-L111 PolarHBondContact O-N 3.3Å; D109-L111 PolarHBondContact O-N 3.07Å; L111-S113 VanDerWaalsContact C-N 3.32Å; L111-L114 HydrophobicContact CD2-CD1 3.87Å; L111-L114 PolarHBondContact O-N 3.42Å; L111-R118 WeakPolarHBondContact O-CD 3.35Å; L111-R118 PolarHBondContact O-NH1 2.75Å |
| 112 | K | 85.9 | Confident | 83.8 | Confident | 105 Ų | 105 | 111.3 Ų | 111.3 | 46% | 0.457 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.5 | -32.8 | 173.7 | -76.6 | 166.5 | 53 | -168.1 | 0 | 112.3 | L104 Y108 D109 R118 | L104-K112 HydrophobicContact CD2-CD 3.73Å; L104-K112 HydrophobicContact CD2-CG 4.12Å; Y108-K112 PolarHBondContact O-N 2.95Å; D109-K112 PolarHBondContact O-N 2.98Å; D109-K112 WeakPolarHBondContact OD1-CD 3.49Å; D109-K112 WeakPolarHBondContact OD1-CE 3.14Å; D109-K112 IonicContact OD1-NZ 2.86Å; D109-K112 PolarHBondContact OD1-NZ 3.47Å; K112-R118 VanDerWaalsContact C-NH1 3.26Å; K112-R118 PolarHBondContact O-NH1 2.91Å |
| 113 | S | 87.2 | Confident | 82.1 | Confident | 99 Ų | 99 | 107.7 Ų | 107.7 | 69% | 0.692 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -73.8 | -21.4 | 175.4 | 74 | 0 | 0 | 0 | 0 | 114.7 | D109 S110 L111 K115 | D109-S113 PolarHBondContact O-N 3.2Å; S110-S113 PolarHBondContact O-N 3.04Å; S110-S113 PolarHBondContact O-OG 3.3Å; L111-S113 VanDerWaalsContact C-N 3.32Å; S113-K115 PolarHBondContact O-N 3.32Å |
| 114 | L | 86.2 | Confident | 80.3 | Confident | 81 Ų | 81 | 108 Ų | 108 | 42% | 0.424 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -66.7 | 134.3 | 179 | -65 | 177.5 | 0 | 0 | 0 | 111.5 | L111 R118 | L111-L114 HydrophobicContact CD2-CD1 3.87Å; L111-L114 PolarHBondContact O-N 3.42Å; L114-R118 HydrophobicContact CB-CB 4.48Å; L114-R118 HydrophobicContact CB-CG 4.46Å; L114-R118 PolarHBondContact O-NH1 2.97Å |
| 115 | K | 86.9 | Confident | 78.7 | Confident | 190 Ų | 190 | 111.3 Ų | 111.3 | 83% | 0.826 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -63 | 139.4 | 170.6 | -172.2 | 178 | 178.5 | 179.8 | 0 | 109.7 | S113 P117 | S113-K115 PolarHBondContact O-N 3.32Å; K115-P117 CarbonylContact O-C 3.36Å |
| 116 | Y | 84.5 | Confident | 76.4 | Confident | 175 Ų | 175 | 113.6 Ų | 113.6 | 69% | 0.686 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -60.7 | 138.7 | 172.3 | -76.8 | -83.7 | 0 | 0 | 0 | 111.2 | R118 | Y116-R118 HydrophobicContact CD1-CG 4.07Å; Y116-R118 HydrophobicContact CE1-CG 4.17Å; Y116-R118 HydrophobicContact CG-CG 4.48Å; Y116-R118 VanDerWaalsContact CZ-NH2 3.27Å; Y116-R118 PolarHBondContact OH-NE 3.01Å; Y116-R118 PolarHBondContact OH-NH2 2.9Å |
| 117 | P | 86.2 | Confident | 74.7 | Confident | 111 Ų | 111 | 110.8 Ų | 110.8 | 72% | 0.721 | 62% | 0.624 | S | S | * | * | S | Bend | cis | -76 | 133.1 | -2 | 31.1 | -34.1 | 0 | 0 | 0 | 112.9 | K115 V119 | K115-P117 CarbonylContact O-C 3.36Å; P117-V119 PolarHBondContact O-N 2.81Å; P117-V119 VanDerWaalsContact O-N 3.11Å |
| 118 | R | 75.3 | Confident | 72.5 | Confident | 79 Ų | 79 | 109.6 Ų | 109.6 | 30% | 0.298 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -73.7 | 1.4 | -174.8 | -56.4 | 178.4 | -170.1 | -81.1 | 4.9 | 114.9 | L111 K112 L114 Y116 | L111-R118 WeakPolarHBondContact O-CD 3.35Å; L111-R118 PolarHBondContact O-NH1 2.75Å; K112-R118 VanDerWaalsContact C-NH1 3.26Å; K112-R118 PolarHBondContact O-NH1 2.91Å; L114-R118 HydrophobicContact CB-CB 4.48Å; L114-R118 HydrophobicContact CB-CG 4.46Å; L114-R118 PolarHBondContact O-NH1 2.97Å; Y116-R118 HydrophobicContact CD1-CG 4.07Å; Y116-R118 HydrophobicContact CE1-CG 4.17Å; Y116-R118 HydrophobicContact CG-CG 4.48Å; Y116-R118 VanDerWaalsContact CZ-NH2 3.27Å; Y116-R118 PolarHBondContact OH-NE 3.01Å; Y116-R118 PolarHBondContact OH-NH2 2.9Å |
| 119 | V | 73.5 | Confident | 70.6 | Confident | 119 Ų | 119 | 115.9 Ų | 115.9 | 72% | 0.721 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -134.6 | 122.5 | 177.8 | -178.9 | 0 | 0 | 0 | 0 | 106.9 | P117 | P117-V119 PolarHBondContact O-N 2.81Å; P117-V119 VanDerWaalsContact O-N 3.11Å |
| 120 | T | 68.4 | Low | 68.7 | Low | 109 Ų | 109 | 116.7 Ų | 116.7 | 67% | 0.669 | 67% | 0.665 | S | S | * | * | trans | -75.3 | 136.1 | 168.7 | 58.1 | 0 | 0 | 0 | 0 | 108.8 | N122 | T120-N122 WeakPolarHBondContact CB-OD1 3.49Å; T120-N122 PolarHBondContact O-N 3.11Å; T120-N122 PolarHBondContact OG1-OD1 2.94Å; T120-N122 VanDerWaalsContact OG1-OD1 3.07Å | ||
| 121 | S | 61.5 | Low | 66.6 | Low | 114 Ų | 114 | 118.6 Ų | 118.6 | 80% | 0.797 | 68% | 0.676 | S | S | * | * | trans | -74.1 | 72.2 | -179.3 | 51.5 | 0 | 0 | 0 | 0 | 111.4 | S123 | S121-S123 VanDerWaalsContact C-N 3.33Š| ||
| 122 | N | 56.9 | Low | 64.7 | Low | 148 Ų | 148 | 126.2 Ų | 126.2 | 79% | 0.791 | 70% | 0.699 | S | S | * | * | trans | -97.1 | 29.4 | 175.9 | -80.6 | 69.3 | 0 | 0 | 0 | 112.4 | T120 | T120-N122 WeakPolarHBondContact CB-OD1 3.49Å; T120-N122 PolarHBondContact O-N 3.11Å; T120-N122 PolarHBondContact OG1-OD1 2.94Å; T120-N122 VanDerWaalsContact OG1-OD1 3.07Å | ||
| 123 | S | 55.3 | Low | 62.9 | Low | 88 Ų | 88 | 127.3 Ų | 127.3 | 62% | 0.615 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -139.7 | 140.3 | 159.8 | 61.6 | 0 | 0 | 0 | 0 | 108.5 | S121 I125 | S121-S123 VanDerWaalsContact C-N 3.33Å; S123-I125 PolarHBondContact O-N 3.34Å |
| 124 | G | 52.9 | Low | 60.5 | Low | 86 Ų | 86 | 130.7 Ų | 130.7 | 89% | 0.887 | 73% | 0.725 | S | S | * | * | trans | -75.1 | 43.2 | -161.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 125 | I | 56.9 | Low | 58.5 | Low | 137 Ų | 137 | 132.2 Ų | 132.2 | 70% | 0.703 | 74% | 0.742 | S | S | * | * | trans | -101.4 | 85.6 | 177.1 | -51.9 | -178.9 | 0 | 0 | 0 | 109.4 | S123 V127 | S123-I125 PolarHBondContact O-N 3.34Å; I125-V127 VanDerWaalsContact C-N 3.33Å; I125-V127 HydrophobicContact CG2-CG2 4Å; I125-V127 PolarHBondContact O-N 2.72Å | ||
| 126 | S | 45.1 | Very low | 56.1 | Low | 114 Ų | 114 | 128.8 Ų | 128.8 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | trans | -72.7 | 80.7 | 175.8 | 44.8 | 0 | 0 | 0 | 0 | 111.8 | S128 | S126-S128 PolarHBondContact O-N 3.31Š| ||
| 127 | V | 56.2 | Low | 54.4 | Low | 110 Ų | 110 | 124.9 Ų | 124.9 | 67% | 0.667 | 74% | 0.739 | S | S | * | * | trans | -71.4 | 79.4 | 168.2 | -173.7 | 0 | 0 | 0 | 0 | 109.4 | I125 R129 | I125-V127 VanDerWaalsContact C-N 3.33Å; I125-V127 HydrophobicContact CG2-CG2 4Å; I125-V127 PolarHBondContact O-N 2.72Å; V127-R129 VanDerWaalsContact C-N 3.33Å; V127-R129 PolarHBondContact O-N 2.79Å | ||
| 128 | S | 47.3 | Very low | 52.9 | Low | 111 Ų | 111 | 127.7 Ų | 127.7 | 78% | 0.776 | 74% | 0.742 | S | S | * | * | trans | -66.2 | 91 | 170.9 | -175.4 | 0 | 0 | 0 | 0 | 109.6 | S126 S130 | S126-S128 PolarHBondContact O-N 3.31Å; S128-S130 VanDerWaalsContact C-N 3.26Å; S128-S130 PolarHBondContact O-N 2.82Å | ||
| 129 | R | 51 | Low | 51.5 | Low | 225 Ų | 225 | 133.1 Ų | 133.1 | 85% | 0.849 | 77% | 0.768 | S | S | * | * | trans | -81.2 | 74.8 | 177 | -168 | 175.9 | -70.9 | -179.2 | -2.4 | 109.4 | V127 | V127-R129 VanDerWaalsContact C-N 3.33Å; V127-R129 PolarHBondContact O-N 2.79Å | ||
| 130 | S | 50.8 | Low | 50 | Low | 88 Ų | 88 | 139.1 Ų | 139.1 | 62% | 0.615 | 78% | 0.778 | S | S | * | * | trans | -61.2 | 136.7 | 176.3 | -171.8 | 0 | 0 | 0 | 0 | 111.2 | S128 R132 | S128-S130 VanDerWaalsContact C-N 3.26Å; S128-S130 PolarHBondContact O-N 2.82Å; S130-R132 PolarHBondContact O-N 3.5Å | ||
| 131 | P | 45.2 | Very low | 49.3 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | trans | -69.9 | 120.5 | 177.1 | -8.6 | 24 | 0 | 0 | 0 | 109.8 | T133 | P131-T133 PolarHBondContact O-N 3.07Š| ||
| 132 | R | 46.1 | Very low | 48.6 | Very low | 247 Ų | 247 | 147 Ų | 147 | 93% | 0.932 | 79% | 0.794 | S | S | * | * | trans | -83.1 | 110.5 | 170.8 | -71.3 | -173.1 | 172.1 | -151.7 | -3.7 | 109.2 | S130 | S130-R132 PolarHBondContact O-N 3.5Š| ||
| 133 | T | 47.3 | Very low | 48.5 | Very low | 127 Ų | 127 | 149.9 Ų | 149.9 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | -72.1 | 140.5 | 167 | 44.1 | 0 | 0 | 0 | 0 | 110.5 | P131 | P131-T133 PolarHBondContact O-N 3.07Š| ||
| 134 | D | 36.3 | Very low | 48.3 | Very low | 171 Ų | 171 | 150.5 Ų | 150.5 | 91% | 0.914 | 80% | 0.804 | S | S | * | * | trans | -66.3 | 128.9 | 177.3 | -101.8 | -49 | 0 | 0 | 0 | 112 | ||||
| 135 | S | 45.8 | Very low | 48.4 | Very low | 113 Ų | 113 | 153.5 Ų | 153.5 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | -159.9 | 118.3 | 153.4 | 48.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 136 | C | 34.6 | Very low | 47.8 | Very low | 118 Ų | 118 | 158.2 Ų | 158.2 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | trans | -56.7 | 133.7 | 177.5 | 178.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 137 | S | 49.1 | Very low | 48 | Very low | 92 Ų | 92 | 158.1 Ų | 158.1 | 64% | 0.643 | 81% | 0.807 | S | S | * | * | 162.9 | 116.9 | 123.1 | -78.7 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 138 | Q | 54.8 | Low | 48 | Very low | 171 Ų | 171 | 158.5 Ų | 158.5 | 80% | 0.799 | 81% | 0.81 | S | S | * | * | trans | 69.7 | 142.9 | 135.5 | -56.6 | -170.9 | 12.8 | 0 | 0 | 123.9 | ||||
| 139 | K | 45.7 | Very low | 48 | Very low | 192 Ų | 192 | 160 Ų | 160 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | 82.6 | 91.3 | 157.9 | -73.4 | 176 | -178.7 | 176.3 | 0 | 120.9 | ||||
| 140 | R | 43.7 | Very low | 48.2 | Very low | 245 Ų | 245 | 154.1 Ų | 154.1 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | trans | -22 | 134 | 144.6 | -64.5 | 163.7 | 132.4 | 157.4 | -5.3 | 116.4 | ||||
| 141 | T | 52.5 | Low | 47.8 | Very low | 147 Ų | 147 | 157 Ų | 157 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | -157.1 | 142.8 | 129.4 | 32.8 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 142 | R | 47.4 | Very low | 47.8 | Very low | 242 Ų | 242 | 158.1 Ų | 158.1 | 91% | 0.913 | 82% | 0.816 | S | S | * | * | trans | -102.8 | 143.1 | 178 | -65.3 | 170.5 | 73.2 | 162.9 | 2.2 | 111.2 | ||||
| 143 | K | 53.8 | Low | 47.6 | Very low | 209 Ų | 209 | 151.9 Ų | 151.9 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | 169.1 | 155.9 | 160.8 | -93.3 | 149.1 | -176.7 | -175.9 | 0 | 107.6 | ||||
| 144 | S | 51.1 | Low | 47.5 | Very low | 101 Ų | 101 | 153.3 Ų | 153.3 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | cis | -163 | 145 | -28.5 | -169.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 145 | L | 55.8 | Low | 47.9 | Very low | 149 Ų | 149 | 149.5 Ų | 149.5 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | trans | 7.1 | 130 | 161 | -56.9 | 170.9 | 0 | 0 | 0 | 123.1 | ||||
| 146 | R | 43.9 | Very low | 47.8 | Very low | 235 Ų | 235 | 148.9 Ų | 148.9 | 89% | 0.887 | 80% | 0.795 | S | S | * | * | trans | 41.6 | 127.6 | 131.7 | -64.8 | -177.6 | 172.7 | 179.4 | -3 | 123 | ||||
| 147 | S | 49.5 | Very low | 48.4 | Very low | 112 Ų | 112 | 148.4 Ų | 148.4 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | -159.7 | 119.6 | 139.3 | 55 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 148 | V | 56.7 | Low | 48.2 | Very low | 119 Ų | 119 | 149.6 Ų | 149.6 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | 77.6 | 99.3 | 65.4 | 175.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 149 | D | 46.1 | Very low | 48.2 | Very low | 141 Ų | 141 | 148 Ų | 148 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | trans | 46.9 | 127.8 | 136.8 | -45.1 | -21 | 0 | 0 | 0 | 122.7 | ||||
| 150 | S | 56.3 | Low | 48.3 | Very low | 103 Ų | 103 | 144.1 Ų | 144.1 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | 169.7 | 128.8 | 99.5 | -73.8 | 0 | 0 | 0 | 0 | 115 | |||||
| 151 | N | 42 | Very low | 48.5 | Very low | 149 Ų | 149 | 138 Ų | 138 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | trans | 47.4 | 133.5 | 142.6 | -57.6 | -18.2 | 0 | 0 | 0 | 122.7 | ||||
| 152 | T | 46.5 | Very low | 48 | Very low | 138 Ų | 138 | 137.4 Ų | 137.4 | 85% | 0.847 | 78% | 0.779 | S | S | * | * | -165.3 | 141.3 | 107.9 | -74.5 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 153 | T | 41 | Very low | 47.9 | Very low | 116 Ų | 116 | 132.3 Ų | 132.3 | 71% | 0.712 | 77% | 0.774 | S | S | * | * | trans | -74.7 | 156.8 | -173.7 | -30.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 154 | L | 45.7 | Very low | 47.6 | Very low | 157 Ų | 157 | 127.6 Ų | 127.6 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | 156.3 | 131.1 | 119.9 | -88.4 | 145.1 | 0 | 0 | 0 | 116.3 | |||||
| 155 | A | 44 | Very low | 47 | Very low | 90 Ų | 90 | 128.4 Ų | 128.4 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | trans | 61.4 | 148.4 | 147.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 156 | S | 42.9 | Very low | 46.7 | Very low | 100 Ų | 100 | 127.3 Ų | 127.3 | 70% | 0.699 | 76% | 0.764 | S | S | * | * | cis | -174.6 | 147.7 | -14.5 | 49.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 157 | S | 47.8 | Very low | 46.8 | Very low | 109 Ų | 109 | 120.6 Ų | 120.6 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | 69.7 | 164.5 | 161.1 | -58.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 158 | T | 46.2 | Very low | 46.7 | Very low | 116 Ų | 116 | 120.3 Ų | 120.3 | 71% | 0.712 | 75% | 0.75 | S | S | * | * | cis | -169.2 | 166.3 | -25.7 | 33.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 159 | N | 54 | Low | 46.6 | Very low | 138 Ų | 138 | 120.3 Ų | 120.3 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | cis | -162.1 | 148.6 | -12.4 | -112.4 | -5.8 | 0 | 0 | 0 | 110.3 | ||||
| 160 | S | 46.7 | Very low | 46.6 | Very low | 110 Ų | 110 | 119.5 Ų | 119.5 | 77% | 0.769 | 75% | 0.751 | S | S | * | * | trans | 65.5 | 162.4 | 154.1 | -55.8 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 161 | P | 48.9 | Very low | 46.5 | Very low | 116 Ų | 116 | 120.1 Ų | 120.1 | 75% | 0.753 | 76% | 0.755 | S | S | * | * | cis | -129.1 | 174.9 | 4.8 | 41.9 | -26.2 | 0 | 0 | 0 | 116.3 | ||||
| 162 | V | 41.4 | Very low | 46.9 | Very low | 136 Ų | 136 | 123.1 Ų | 123.1 | 82% | 0.824 | 76% | 0.755 | S | S | * | * | trans | -129.1 | 143.4 | 161.7 | 170.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 163 | T | 46.5 | Very low | 47.6 | Very low | 134 Ų | 134 | 123 Ų | 123 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | trans | -139.2 | 132.5 | 174.2 | -56.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 164 | T | 46 | Very low | 48.6 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 68% | 0.675 | 75% | 0.747 | S | S | * | * | trans | -113.5 | 136.8 | -175.5 | -60.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 165 | T | 38.4 | Very low | 48.4 | Very low | 119 Ų | 119 | 129.8 Ų | 129.8 | 73% | 0.73 | 75% | 0.751 | S | S | * | * | trans | 23.1 | 132 | 145.3 | -41.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 166 | V | 49.5 | Very low | 49.2 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | -163.5 | 153.8 | 74.9 | -145.6 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 167 | S | 46.4 | Very low | 49.5 | Very low | 94 Ų | 94 | 142.8 Ų | 142.8 | 66% | 0.657 | 78% | 0.777 | S | S | * | * | trans | 65.3 | 111.4 | 139.1 | 60.4 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 168 | S | 48.2 | Very low | 49.6 | Very low | 105 Ų | 105 | 144.5 Ų | 144.5 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | 102.8 | 149.7 | 109.5 | 74.3 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 169 | V | 54.4 | Low | 49.8 | Very low | 120 Ų | 120 | 146.1 Ų | 146.1 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | 69.6 | 88.4 | 157.6 | -72.4 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 170 | T | 46.6 | Very low | 49.6 | Very low | 123 Ų | 123 | 146.6 Ų | 146.6 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | 52.8 | 142.5 | 116.4 | 60.6 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 171 | S | 52.6 | Low | 49.8 | Very low | 116 Ų | 116 | 148.9 Ų | 148.9 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | 90.1 | 148.7 | 156.5 | -55.4 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 172 | R | 50.9 | Low | 49.8 | Very low | 212 Ų | 212 | 151.1 Ų | 151.1 | 80% | 0.8 | 79% | 0.787 | S | S | * | * | cis | -178 | 158.7 | -23.5 | -174.4 | 176.6 | -179.5 | 165.3 | 4.4 | 106.5 | ||||
| 173 | E | 61.3 | Low | 50.4 | Low | 136 Ų | 136 | 152.1 Ų | 152.1 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | trans | 71.7 | 146 | 161.3 | -130 | 45.2 | -147.5 | 0 | 0 | 114 | ||||
| 174 | K | 62.7 | Low | 50.7 | Low | 171 Ų | 171 | 153.5 Ų | 153.5 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | cis | -153.1 | 154.8 | 2.5 | -156.6 | 163.3 | -166.1 | 152.3 | 0 | 111.8 | ||||
| 175 | R | 41.7 | Very low | 51.1 | Low | 244 Ų | 244 | 157.2 Ų | 157.2 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -63.5 | 140.6 | 161.2 | -75.2 | 171.4 | 159.8 | 145.5 | -8.4 | 112.1 | ||||
| 176 | R | 60.8 | Low | 52.3 | Low | 320 Ų | 320 | 160.6 Ų | 160.6 | 100% | 1.208 | 80% | 0.796 | S | S | * | * | trans | -150.6 | 0 | 130.7 | -134.7 | 179.3 | -173.7 | -166.7 | 0.2 | 110.6 |
Retrieved 176 of 176 residues in 88.4 ms
(Link to these results)