| 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 | 36.7 | Very low | 38.1 | Very low | 229 Ų | 229 | 143.2 Ų | 143.2 | 100% | 1.128 | 86% | 0.864 | S | S | * | * | 0 | 123.3 | 0 | -78.6 | -57.2 | -167.6 | 0 | 0 | 108.5 | |||||
| 2 | P | 55.8 | Low | 37.6 | Very low | 116 Ų | 116 | 141.2 Ų | 141.2 | 75% | 0.753 | 86% | 0.862 | S | S | * | * | cis | -67.9 | -133.4 | -16.4 | -11.9 | 30.4 | 0 | 0 | 0 | 109.9 | ||||
| 3 | V | 35.5 | Very low | 37.9 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 80% | 0.8 | 86% | 0.86 | S | S | * | * | cis | -147.9 | 163.3 | 2.9 | -152.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 4 | N | 40.6 | Very low | 37.8 | Very low | 163 Ų | 163 | 138.6 Ų | 138.6 | 87% | 0.872 | 86% | 0.859 | S | S | * | * | trans | -113.5 | 151.3 | -174.5 | -58.6 | -17.6 | 0 | 0 | 0 | 113.6 | ||||
| 5 | A | 33.3 | Very low | 37.9 | Very low | 98 Ų | 98 | 137.5 Ų | 137.5 | 81% | 0.81 | 86% | 0.859 | S | S | * | * | trans | -152.5 | 159.5 | 157.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 6 | L | 40.6 | Very low | 37.9 | Very low | 159 Ų | 159 | 132.7 Ų | 132.7 | 83% | 0.832 | 84% | 0.844 | S | S | * | * | trans | -69 | 162.7 | -176.3 | -86.3 | 64 | 0 | 0 | 0 | 114.2 | ||||
| 7 | P | 39.6 | Very low | 38.2 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 84% | 0.844 | 84% | 0.844 | S | S | * | * | trans | -114.5 | 146.4 | 135.1 | 35.5 | -29.7 | 0 | 0 | 0 | 112.1 | ||||
| 8 | R | 33.5 | Very low | 38.5 | Very low | 240 Ų | 240 | 129.3 Ų | 129.3 | 91% | 0.906 | 84% | 0.84 | S | S | * | * | trans | -126.5 | 110.9 | 174.9 | -175.4 | -179.8 | -173.2 | 166.3 | 2.2 | 109.9 | ||||
| 9 | G | 33.9 | Very low | 38.5 | Very low | 81 Ų | 81 | 127.8 Ų | 127.8 | 84% | 0.835 | 83% | 0.833 | S | S | * | * | trans | 43.7 | 108.4 | 159.3 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 10 | A | 31.1 | Very low | 38.9 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | trans | -133.7 | 127.3 | 150.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 11 | S | 37.9 | Very low | 39.1 | Very low | 117 Ų | 117 | 126.1 Ų | 126.1 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -97.4 | 127.7 | -176.4 | 52.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 12 | S | 32.8 | Very low | 39.8 | Very low | 119 Ų | 119 | 119.6 Ų | 119.6 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -148.1 | 123.4 | 161.7 | -73.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 13 | G | 41.9 | Very low | 39.5 | Very low | 82 Ų | 82 | 116.4 Ų | 116.4 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | -77.7 | 135.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 14 | I | 36.3 | Very low | 40.3 | Very low | 165 Ų | 165 | 113 Ų | 113 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | trans | -121.3 | 112.2 | 163.7 | -62.9 | -179.9 | 0 | 0 | 0 | 107.1 | G16 | I14-G16 PolarHBondContact O-N 3.34Å; I14-G16 VanDerWaalsContact O-N 3.07Å | ||
| 15 | S | 39.6 | Very low | 40.8 | Very low | 122 Ų | 122 | 109.7 Ų | 109.7 | 85% | 0.853 | 74% | 0.737 | S | S | * | * | trans | -66 | 102.8 | 176.5 | -49.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 16 | G | 36.9 | Very low | 41.9 | Very low | 60 Ų | 60 | 108.5 Ų | 108.5 | 62% | 0.619 | 72% | 0.723 | S | S | * | * | trans | -64.7 | 143.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112 | I14 | I14-G16 PolarHBondContact O-N 3.34Å; I14-G16 VanDerWaalsContact O-N 3.07Å | ||
| 17 | P | 43.9 | Very low | 42.9 | Very low | 129 Ų | 129 | 109.1 Ų | 109.1 | 84% | 0.838 | 71% | 0.714 | S | S | * | * | trans | -62.9 | 142 | 172 | 28 | -34.3 | 0 | 0 | 0 | 110.2 | S19 | P17-S19 PolarHBondContact O-N 2.81Å; P17-S19 VanDerWaalsContact O-N 3.09Å | ||
| 18 | G | 43 | Very low | 43.7 | Very low | 75 Ų | 75 | 106.2 Ų | 106.2 | 77% | 0.773 | 70% | 0.696 | S | S | * | * | trans | -57.3 | 114.2 | -176 | 0 | 0 | 0 | 0 | 0 | 112.4 | L20 | G18-L20 PolarHBondContact O-N 3.45Š| ||
| 19 | S | 38.4 | Very low | 44.7 | Very low | 101 Ų | 101 | 98.8 Ų | 98.8 | 71% | 0.706 | 67% | 0.674 | S | S | * | * | trans | -64.4 | 104.7 | -179.1 | -176.5 | 0 | 0 | 0 | 0 | 111.1 | P17 S21 | P17-S19 PolarHBondContact O-N 2.81Å; P17-S19 VanDerWaalsContact O-N 3.09Å; S19-S21 PolarHBondContact O-N 3.44Å | ||
| 20 | L | 45.9 | Very low | 46.2 | Very low | 144 Ų | 144 | 97.8 Ų | 97.8 | 75% | 0.754 | 65% | 0.654 | S | S | * | * | trans | -66 | 98.1 | 164.7 | -75.1 | 173.5 | 0 | 0 | 0 | 108.2 | G18 | G18-L20 PolarHBondContact O-N 3.45Š| ||
| 21 | S | 44.7 | Very low | 47.9 | Very low | 76 Ų | 76 | 100.5 Ų | 100.5 | 53% | 0.531 | 64% | 0.641 | S | S | . | * | trans | -43 | 122 | -169.8 | -53.3 | 0 | 0 | 0 | 0 | 112.4 | S19 A23 S24 | S19-S21 PolarHBondContact O-N 3.44Å; S21-A23 PolarHBondContact O-N 2.94Å; S21-S24 PolarHBondContact O-N 3.05Å; S21-S24 PolarHBondContact O-OG 3.1Å | ||
| 22 | P | 50.3 | Low | 48.9 | Very low | 93 Ų | 93 | 98.9 Ų | 98.9 | 60% | 0.604 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -59.7 | -18.6 | -170.3 | 20 | -32.3 | 0 | 0 | 0 | 114.1 | S26 | P22-S26 WeakPolarHBondContact O-CB 3.27Å; P22-S26 PolarHBondContact O-N 3.09Å; P22-S26 PolarHBondContact O-OG 3.16Å |
| 23 | A | 49.6 | Very low | 50.8 | Low | 48 Ų | 48 | 101.7 Ų | 101.7 | 40% | 0.397 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -62.6 | -34.8 | 170 | 0 | 0 | 0 | 0 | 0 | 114.2 | S21 R27 | S21-A23 PolarHBondContact O-N 2.94Å; A23-R27 WeakPolarHBondContact O-CB 3.5Å; A23-R27 VanDerWaalsContact O-CD 3.31Å; A23-R27 WeakPolarHBondContact O-CD 3.11Å; A23-R27 WeakPolarHBondContact O-CG 3.12Å; A23-R27 PolarHBondContact O-N 2.04Å |
| 24 | S | 51.8 | Low | 52.5 | Low | 62 Ų | 62 | 101.8 Ų | 101.8 | 43% | 0.434 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -73.9 | -44.1 | 178.9 | 69 | 0 | 0 | 0 | 0 | 111.2 | S21 R27 S28 | S21-S24 PolarHBondContact O-N 3.05Å; S21-S24 PolarHBondContact O-OG 3.1Å; S24-R27 PolarHBondContact O-N 2.9Å; S24-S28 PolarHBondContact O-N 3.3Å |
| 25 | L | 51 | Low | 54.2 | Low | 93 Ų | 93 | 100.3 Ų | 100.3 | 49% | 0.487 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -64.9 | -41 | 176.4 | -133.6 | 167.9 | 0 | 0 | 0 | 110.9 | R27 S28 L29 | L25-R27 PolarHBondContact O-N 2.95Å; L25-S28 PolarHBondContact O-N 2.97Å; L25-L29 HydrophobicContact CD2-CD1 3.72Å; L25-L29 HydrophobicContact CD2-CG 3.95Å; L25-L29 WeakPolarHBondContact O-CB 3.4Å; L25-L29 WeakPolarHBondContact O-CG 3.11Å; L25-L29 PolarHBondContact O-N 3Å |
| 26 | S | 58.1 | Low | 56.1 | Low | 73 Ų | 73 | 101.1 Ų | 101.1 | 51% | 0.51 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.8 | -41.1 | 172.4 | -61.6 | 0 | 0 | 0 | 0 | 112.8 | P22 S30 | P22-S26 WeakPolarHBondContact O-CB 3.27Å; P22-S26 PolarHBondContact O-N 3.09Å; P22-S26 PolarHBondContact O-OG 3.16Å; S26-S30 WeakPolarHBondContact O-CB 3.02Å; S26-S30 PolarHBondContact O-N 2.93Å; S26-S30 PolarHBondContact O-OG 2.79Å |
| 27 | R | 59.8 | Low | 58.4 | Low | 172 Ų | 172 | 101.7 Ų | 101.7 | 65% | 0.649 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -68.2 | -32.7 | 174.5 | -74.3 | 165.4 | -175.8 | 159.6 | 0.8 | 112.7 | A23 S24 L25 S30 R31 | A23-R27 WeakPolarHBondContact O-CB 3.5Å; A23-R27 VanDerWaalsContact O-CD 3.31Å; A23-R27 WeakPolarHBondContact O-CD 3.11Å; A23-R27 WeakPolarHBondContact O-CG 3.12Å; A23-R27 PolarHBondContact O-N 2.04Å; S24-R27 PolarHBondContact O-N 2.9Å; L25-R27 PolarHBondContact O-N 2.95Å; R27-S30 WeakPolarHBondContact CA-OG 3.36Å; R27-S30 PolarHBondContact O-OG 3.43Å; R27-S30 VanDerWaalsContact O-OG 3.08Å; R27-R31 WeakPolarHBondContact O-CB 3.36Å; R27-R31 VanDerWaalsContact O-CG 3.25Å; R27-R31 WeakPolarHBondContact O-CG 3.47Å; R27-R31 PolarHBondContact O-N 2.7Å; R27-R31 VanDerWaalsContact O-N 3.14Å |
| 28 | S | 56.4 | Low | 60.2 | Low | 68 Ų | 68 | 98.9 Ų | 98.9 | 48% | 0.476 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -69.5 | -48.7 | 173.9 | -170.8 | 0 | 0 | 0 | 0 | 111 | S24 L25 S30 R31 L32 | S24-S28 PolarHBondContact O-N 3.3Å; L25-S28 PolarHBondContact O-N 2.97Å; S28-S30 PolarHBondContact O-N 2.92Å; S28-R31 PolarHBondContact O-N 3.31Å; S28-L32 WeakPolarHBondContact O-CB 3.02Å; S28-L32 PolarHBondContact O-N 3.36Å |
| 29 | L | 56.2 | Low | 62.1 | Low | 84 Ų | 84 | 96.2 Ų | 96.2 | 44% | 0.44 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.1 | -31.9 | 178.4 | -69.1 | 174.6 | 0 | 0 | 0 | 113.2 | L25 L32 R33 | L25-L29 HydrophobicContact CD2-CD1 3.72Å; L25-L29 HydrophobicContact CD2-CG 3.95Å; L25-L29 WeakPolarHBondContact O-CB 3.4Å; L25-L29 WeakPolarHBondContact O-CG 3.11Å; L25-L29 PolarHBondContact O-N 3Å; L29-L32 PolarHBondContact O-N 2.91Å; L29-R33 WeakPolarHBondContact O-CB 3.27Å; L29-R33 WeakPolarHBondContact O-CG 3.42Å; L29-R33 PolarHBondContact O-N 3.4Å |
| 30 | S | 64.6 | Low | 64.5 | Low | 60 Ų | 60 | 99.2 Ų | 99.2 | 42% | 0.42 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.6 | -46.8 | 171 | 69.6 | 0 | 0 | 0 | 0 | 110.9 | S26 R27 S28 L32 R33 E34 | S26-S30 WeakPolarHBondContact O-CB 3.02Å; S26-S30 PolarHBondContact O-N 2.93Å; S26-S30 PolarHBondContact O-OG 2.79Å; R27-S30 WeakPolarHBondContact CA-OG 3.36Å; R27-S30 PolarHBondContact O-OG 3.43Å; R27-S30 VanDerWaalsContact O-OG 3.08Å; S28-S30 PolarHBondContact O-N 2.92Å; S30-L32 VanDerWaalsContact C-N 3.3Å; S30-L32 PolarHBondContact O-N 2.59Å; S30-R33 PolarHBondContact O-N 2.84Å; S30-E34 VanDerWaalsContact O-CB 3.3Å; S30-E34 WeakPolarHBondContact O-CB 3.05Å; S30-E34 PolarHBondContact O-N 2.93Å |
| 31 | R | 66 | Low | 66.6 | Low | 167 Ų | 167 | 96.1 Ų | 96.1 | 63% | 0.63 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -59.4 | -36.5 | 172.9 | -75.1 | 176.3 | 177 | -154.9 | -0.9 | 112.7 | R27 S28 E34 Y35 | R27-R31 WeakPolarHBondContact O-CB 3.36Å; R27-R31 VanDerWaalsContact O-CG 3.25Å; R27-R31 WeakPolarHBondContact O-CG 3.47Å; R27-R31 PolarHBondContact O-N 2.7Å; R27-R31 VanDerWaalsContact O-N 3.14Å; S28-R31 PolarHBondContact O-N 3.31Å; R31-E34 PolarHBondContact O-N 3.34Å; R31-Y35 VanDerWaalsContact O-CB 3.29Å; R31-Y35 WeakPolarHBondContact O-CB 3.49Å; R31-Y35 PolarHBondContact O-N 3Å |
| 32 | L | 59 | Low | 68.6 | Low | 83 Ų | 83 | 92.8 Ų | 92.8 | 44% | 0.435 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -71.6 | -37.4 | 177 | -119.5 | 163.8 | 0 | 0 | 0 | 112.6 | S28 L29 S30 R36 | S28-L32 WeakPolarHBondContact O-CB 3.02Å; S28-L32 PolarHBondContact O-N 3.36Å; L29-L32 PolarHBondContact O-N 2.91Å; S30-L32 VanDerWaalsContact C-N 3.3Å; S30-L32 PolarHBondContact O-N 2.59Å; L32-R36 WeakPolarHBondContact O-CB 3.46Å; L32-R36 PolarHBondContact O-N 2.88Å |
| 33 | R | 72.5 | Confident | 70.6 | Confident | 179 Ų | 179 | 91 Ų | 91 | 68% | 0.675 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -66.7 | -43.1 | 170.4 | -75.6 | 174.4 | 178.7 | 160.5 | 0.9 | 111.3 | L29 S30 R36 T37 | L29-R33 WeakPolarHBondContact O-CB 3.27Å; L29-R33 WeakPolarHBondContact O-CG 3.42Å; L29-R33 PolarHBondContact O-N 3.4Å; S30-R33 PolarHBondContact O-N 2.84Å; R33-R36 CarbonylContact O-C 3.5Å; R33-R36 WeakPolarHBondContact O-CA 3.48Å; R33-R36 WeakPolarHBondContact O-CB 3.44Å; R33-R36 PolarHBondContact O-N 3.43Å; R33-R36 VanDerWaalsContact O-N 3.16Å; R33-T37 PolarHBondContact O-N 3.38Å; R33-T37 PolarHBondContact O-OG1 2.98Å |
| 34 | E | 77.8 | Confident | 72.7 | Confident | 83 Ų | 83 | 91.7 Ų | 91.7 | 39% | 0.388 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.8 | -41.1 | 179.6 | -166.5 | -172.9 | 163.7 | 0 | 0 | 111.9 | S30 R31 R36 T37 R38 | S30-E34 VanDerWaalsContact O-CB 3.3Å; S30-E34 WeakPolarHBondContact O-CB 3.05Å; S30-E34 PolarHBondContact O-N 2.93Å; R31-E34 PolarHBondContact O-N 3.34Å; E34-R36 VanDerWaalsContact C-N 3.31Å; E34-R36 PolarHBondContact O-N 3.32Å; E34-T37 WeakPolarHBondContact CA-OG1 3.08Å; E34-T37 PolarHBondContact O-N 3.31Å; E34-T37 PolarHBondContact O-OG1 2.92Å; E34-R38 HydrophobicContact CG-CG 4.24Å; E34-R38 WeakPolarHBondContact O-CB 3.07Å; E34-R38 VanDerWaalsContact O-CG 3.28Å; E34-R38 WeakPolarHBondContact O-CG 3.26Å; E34-R38 PolarHBondContact O-N 2.04Å; E34-R38 IonicContact OE1-CZ 2.64Å; E34-R38 IonicContact OE1-NE 3.72Å; E34-R38 PolarHBondContact OE1-NE 3.45Å; E34-R38 IonicContact OE1-NH2 2.74Å; E34-R38 PolarHBondContact OE1-NH2 3.34Å |
| 35 | Y | 72.4 | Confident | 74.6 | Confident | 135 Ų | 135 | 89.9 Ų | 89.9 | 53% | 0.529 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -56.4 | -49.3 | 168.3 | -173.8 | -102.9 | 0 | 0 | 0 | 109.4 | R31 T37 R38 T39 | R31-Y35 VanDerWaalsContact O-CB 3.29Å; R31-Y35 WeakPolarHBondContact O-CB 3.49Å; R31-Y35 PolarHBondContact O-N 3Å; Y35-T37 VanDerWaalsContact C-N 3.28Å; Y35-T37 PolarHBondContact O-N 3.35Å; Y35-R38 PolarHBondContact O-N 3.12Å; Y35-T39 HydrophobicContact CD1-CG2 4.01Å; Y35-T39 HydrophobicContact CD2-CG2 4.19Å; Y35-T39 HydrophobicContact CE1-CG2 3.8Å; Y35-T39 HydrophobicContact CE2-CG2 3.99Å; Y35-T39 HydrophobicContact CG-CG2 4.2Å; Y35-T39 WeakPolarHBondContact O-CB 3.32Å; Y35-T39 WeakPolarHBondContact O-CG2 3.48Å; Y35-T39 PolarHBondContact O-N 3.17Å; Y35-T39 PolarHBondContact O-OG1 3.15Å |
| 36 | R | 80.4 | Confident | 76.6 | Confident | 138 Ų | 138 | 85.4 Ų | 85.4 | 52% | 0.521 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.1 | -22.5 | 178.1 | -166.2 | 175.9 | -67.1 | 144.8 | -0.1 | 114.7 | L32 R33 E34 T39 R40 | L32-R36 WeakPolarHBondContact O-CB 3.46Å; L32-R36 PolarHBondContact O-N 2.88Å; R33-R36 CarbonylContact O-C 3.5Å; R33-R36 WeakPolarHBondContact O-CA 3.48Å; R33-R36 WeakPolarHBondContact O-CB 3.44Å; R33-R36 PolarHBondContact O-N 3.43Å; R33-R36 VanDerWaalsContact O-N 3.16Å; E34-R36 VanDerWaalsContact C-N 3.31Å; E34-R36 PolarHBondContact O-N 3.32Å; R36-T39 VanDerWaalsContact C-OG1 3.25Å; R36-T39 WeakPolarHBondContact CA-OG1 3.49Å; R36-T39 PolarHBondContact O-OG1 2.04Å; R36-R40 WeakPolarHBondContact O-CD 3.43Å; R36-R40 VanDerWaalsContact O-CG 3.24Å; R36-R40 WeakPolarHBondContact O-CG 3.47Å; R36-R40 PolarHBondContact O-N 2.78Å |
| 37 | T | 84.4 | Confident | 78.4 | Confident | 73 Ų | 73 | 84.9 Ų | 84.9 | 45% | 0.448 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -90.3 | -48.7 | 173.5 | 54.3 | 0 | 0 | 0 | 0 | 112.5 | R33 E34 Y35 T39 R40 I41 | R33-T37 PolarHBondContact O-N 3.38Å; R33-T37 PolarHBondContact O-OG1 2.98Å; E34-T37 WeakPolarHBondContact CA-OG1 3.08Å; E34-T37 PolarHBondContact O-N 3.31Å; E34-T37 PolarHBondContact O-OG1 2.92Å; Y35-T37 VanDerWaalsContact C-N 3.28Å; Y35-T37 PolarHBondContact O-N 3.35Å; T37-T39 PolarHBondContact O-N 3.24Å; T37-R40 PolarHBondContact O-N 3.42Å; T37-R40 VanDerWaalsContact O-N 3.09Å; T37-I41 VanDerWaalsContact O-CG1 3.31Å; T37-I41 WeakPolarHBondContact O-CG1 3.41Å; T37-I41 PolarHBondContact O-N 3.18Å |
| 38 | R | 82.4 | Confident | 80.1 | Confident | 69 Ų | 69 | 78.8 Ų | 78.8 | 26% | 0.26 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -50.9 | -43.8 | 172.9 | -72.7 | 174.2 | 177.4 | -146.3 | 7 | 111.3 | E34 Y35 I41 M42 M206 S213 | E34-R38 HydrophobicContact CG-CG 4.24Å; E34-R38 WeakPolarHBondContact O-CB 3.07Å; E34-R38 VanDerWaalsContact O-CG 3.28Å; E34-R38 WeakPolarHBondContact O-CG 3.26Å; E34-R38 PolarHBondContact O-N 2.04Å; E34-R38 IonicContact OE1-CZ 2.64Å; E34-R38 IonicContact OE1-NE 3.72Å; E34-R38 PolarHBondContact OE1-NE 3.45Å; E34-R38 IonicContact OE1-NH2 2.74Å; E34-R38 PolarHBondContact OE1-NH2 3.34Å; Y35-R38 PolarHBondContact O-N 3.12Å; R38-I41 PolarHBondContact O-N 3.41Å; R38-M42 PolarHBondContact O-N 2.8Å; R38-M206 HydrophobicContact CB-CE 4.3Å; R38-M206 HydrophobicContact CG-CE 4.45Å; R38-S213 PolarHBondContact NH1-OG 3.12Å |
| 39 | T | 82.9 | Confident | 81.9 | Confident | 19 Ų | 19 | 75.6 Ų | 75.6 | 12% | 0.117 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -60.9 | -59.9 | 173.9 | 55.2 | 0 | 0 | 0 | 0 | 110 | Y35 R36 T37 I41 M42 L43 W95 | Y35-T39 HydrophobicContact CD1-CG2 4.01Å; Y35-T39 HydrophobicContact CD2-CG2 4.19Å; Y35-T39 HydrophobicContact CE1-CG2 3.8Å; Y35-T39 HydrophobicContact CE2-CG2 3.99Å; Y35-T39 HydrophobicContact CG-CG2 4.2Å; Y35-T39 WeakPolarHBondContact O-CB 3.32Å; Y35-T39 WeakPolarHBondContact O-CG2 3.48Å; Y35-T39 PolarHBondContact O-N 3.17Å; Y35-T39 PolarHBondContact O-OG1 3.15Å; R36-T39 VanDerWaalsContact C-OG1 3.25Å; R36-T39 WeakPolarHBondContact CA-OG1 3.49Å; R36-T39 PolarHBondContact O-OG1 2.04Å; T37-T39 PolarHBondContact O-N 3.24Å; T39-I41 PolarHBondContact O-N 3.24Å; T39-M42 WeakPolarHBondContact O-CA 3.42Å; T39-M42 WeakPolarHBondContact O-CB 3.4Å; T39-M42 PolarHBondContact O-N 3.47Å; T39-L43 PolarHBondContact O-N 3.27Å; T39-W95 HydrophobicContact CG2-CZ3 4.39Å; T39-W95 WeakPolarHBondContact O-CZ3 2.99Å |
| 40 | R | 88.8 | Confident | 83.8 | Confident | 165 Ų | 165 | 75 Ų | 75 | 62% | 0.623 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -51.4 | -34.1 | 178.2 | -77.3 | 173.3 | 177 | -171.3 | -1.9 | 114 | R36 T37 L43 A44 | R36-R40 WeakPolarHBondContact O-CD 3.43Å; R36-R40 VanDerWaalsContact O-CG 3.24Å; R36-R40 WeakPolarHBondContact O-CG 3.47Å; R36-R40 PolarHBondContact O-N 2.78Å; T37-R40 PolarHBondContact O-N 3.42Å; T37-R40 VanDerWaalsContact O-N 3.09Å; R40-L43 PolarHBondContact O-N 3.38Å; R40-A44 PolarHBondContact O-N 3.25Å; R40-A44 VanDerWaalsContact O-N 3.13Å |
| 41 | I | 90.1 | Very high | 85.4 | Confident | 79 Ų | 79 | 76.4 Ų | 76.4 | 41% | 0.405 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 175.4 | -68.6 | 161.9 | 0 | 0 | 0 | 111.4 | T37 R38 T39 L43 A44 L45 M206 | T37-I41 VanDerWaalsContact O-CG1 3.31Å; T37-I41 WeakPolarHBondContact O-CG1 3.41Å; T37-I41 PolarHBondContact O-N 3.18Å; R38-I41 PolarHBondContact O-N 3.41Å; T39-I41 PolarHBondContact O-N 3.24Å; I41-L43 PolarHBondContact O-N 3.48Å; I41-A44 PolarHBondContact O-N 3.4Å; I41-L45 HydrophobicContact CG2-CD1 3.88Å; I41-L45 HydrophobicContact CG2-CG 4.37Å; I41-L45 WeakPolarHBondContact O-CG 3.36Å; I41-L45 PolarHBondContact O-N 2.94Å; I41-M206 HydrophobicContact CB-CE 4.32Å; I41-M206 HydrophobicContact CG2-CE 3.95Å; I41-M206 HydrophobicContact CG2-CG 4.44Å; I41-M206 HydrophobicContact CG2-SD 4.44Å |
| 42 | M | 86.6 | Confident | 86.8 | Confident | 6 Ų | 6 | 69.3 Ų | 69.3 | 3% | 0.03 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.8 | -39.6 | 173.5 | -74 | -142 | -62.8 | 0 | 0 | 113.2 | R38 T39 A44 L45 G46 F106 Q210 | R38-M42 PolarHBondContact O-N 2.8Å; T39-M42 WeakPolarHBondContact O-CA 3.42Å; T39-M42 WeakPolarHBondContact O-CB 3.4Å; T39-M42 PolarHBondContact O-N 3.47Å; M42-A44 VanDerWaalsContact C-N 3.34Å; M42-L45 PolarHBondContact O-N 2.91Å; M42-G46 PolarHBondContact O-N 2.94Å; M42-F106 HydrophobicContact SD-CE1 4.46Å; M42-Q210 VanDerWaalsContact CG-NE2 3.33Å; M42-Q210 PolarHBondContact SD-NE2 3.25Å |
| 43 | L | 91.1 | Very high | 88.5 | Confident | 56 Ų | 56 | 65.3 Ų | 65.3 | 29% | 0.293 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 174.6 | 178.6 | 60.8 | 0 | 0 | 0 | 111 | T39 R40 I41 L45 G46 V47 V92 W95 | T39-L43 PolarHBondContact O-N 3.27Å; R40-L43 PolarHBondContact O-N 3.38Å; I41-L43 PolarHBondContact O-N 3.48Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.42Å; L43-G46 PolarHBondContact O-N 2.88Å; L43-V47 HydrophobicContact CD1-CG2 4.02Å; L43-V47 HydrophobicContact CG-CG2 4.49Å; L43-V47 WeakPolarHBondContact O-CB 3.29Å; L43-V47 VanDerWaalsContact O-CG2 3.3Å; L43-V47 WeakPolarHBondContact O-CG2 3.44Å; L43-V47 PolarHBondContact O-N 3.48Å; L43-V92 HydrophobicContact CD1-CG1 4.48Å; L43-V92 HydrophobicContact CD1-CG2 4.39Å; L43-W95 HydrophobicContact CB-CD2 3.71Å; L43-W95 HydrophobicContact CB-CE3 3.81Å; L43-W95 HydrophobicContact CB-CG 4.12Å; L43-W95 HydrophobicContact CB-CZ3 4.35Å; L43-W95 HydrophobicContact CD1-CB 4.31Å; L43-W95 HydrophobicContact CD1-CD2 4.24Å; L43-W95 HydrophobicContact CD1-CG 3.8Å; L43-W95 HydrophobicContact CD2-CD2 4.29Å; L43-W95 HydrophobicContact CD2-CZ2 4.35Å; L43-W95 HydrophobicContact CG-CD2 4.29Å; L43-W95 HydrophobicContact CG-CG 4.35Å |
| 44 | A | 93.4 | Very high | 89.7 | Confident | 62 Ų | 62 | 59.3 Ų | 59.3 | 51% | 0.512 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.4 | -40 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | R40 I41 M42 S48 | R40-A44 PolarHBondContact O-N 3.25Å; R40-A44 VanDerWaalsContact O-N 3.13Å; I41-A44 PolarHBondContact O-N 3.4Å; M42-A44 VanDerWaalsContact C-N 3.34Å; A44-S48 WeakPolarHBondContact O-CB 3.31Å; A44-S48 PolarHBondContact O-N 2.92Å; A44-S48 PolarHBondContact O-OG 3.38Å |
| 45 | L | 91.9 | Very high | 90.6 | Very high | 23 Ų | 23 | 59.2 Ų | 59.2 | 12% | 0.12 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -68.3 | -44.7 | 175.9 | -71 | 169.5 | 0 | 0 | 0 | 112.4 | I41 M42 L43 V47 S48 Q49 V199 L202 M206 | I41-L45 HydrophobicContact CG2-CD1 3.88Å; I41-L45 HydrophobicContact CG2-CG 4.37Å; I41-L45 WeakPolarHBondContact O-CG 3.36Å; I41-L45 PolarHBondContact O-N 2.94Å; M42-L45 PolarHBondContact O-N 2.91Å; L43-L45 VanDerWaalsContact C-N 3.34Å; L43-L45 PolarHBondContact O-N 3.42Å; L45-V47 PolarHBondContact O-N 3.3Å; L45-S48 PolarHBondContact O-N 3.15Å; L45-S48 PolarHBondContact O-OG 3.01Å; L45-Q49 WeakPolarHBondContact O-CB 3.48Å; L45-Q49 VanDerWaalsContact O-CG 3.28Å; L45-Q49 WeakPolarHBondContact O-CG 3.22Å; L45-Q49 PolarHBondContact O-N 3.24Å; L45-V199 HydrophobicContact CD2-CG1 4.25Å; L45-L202 HydrophobicContact CD2-CB 4.27Å; L45-M206 HydrophobicContact CD1-CB 4.39Å; L45-M206 HydrophobicContact CD1-CG 4Å |
| 46 | G | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | M42 L43 M50 G88 | M42-G46 PolarHBondContact O-N 2.94Å; L43-G46 PolarHBondContact O-N 2.88Å; G46-M50 WeakPolarHBondContact O-CB 3.14Å; G46-M50 PolarHBondContact O-N 2.95Å; G46-G88 CarbonylContact O-C 3.38Å; G46-G88 VanDerWaalsContact O-CA 3.28Å; G46-G88 WeakPolarHBondContact O-CA 3.42Å |
| 47 | V | 95.7 | Very high | 92.3 | Very high | 62 Ų | 62 | 47.6 Ų | 47.6 | 38% | 0.376 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.7 | -41.9 | 174.3 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | L43 L45 M50 V51 V92 | L43-V47 HydrophobicContact CD1-CG2 4.02Å; L43-V47 HydrophobicContact CG-CG2 4.49Å; L43-V47 WeakPolarHBondContact O-CB 3.29Å; L43-V47 VanDerWaalsContact O-CG2 3.3Å; L43-V47 WeakPolarHBondContact O-CG2 3.44Å; L43-V47 PolarHBondContact O-N 3.48Å; L45-V47 PolarHBondContact O-N 3.3Å; V47-M50 PolarHBondContact O-N 2.83Å; V47-V51 WeakPolarHBondContact O-CG2 3.41Å; V47-V51 PolarHBondContact O-N 2.97Å; V47-V92 HydrophobicContact CG2-CG2 3.9Å |
| 48 | S | 95.3 | Very high | 92.7 | Very high | 43 Ų | 43 | 47 Ų | 47 | 30% | 0.301 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.9 | -37.9 | 178.6 | 70.6 | 0 | 0 | 0 | 0 | 112.1 | A44 L45 V51 L52 V199 | A44-S48 WeakPolarHBondContact O-CB 3.31Å; A44-S48 PolarHBondContact O-N 2.92Å; A44-S48 PolarHBondContact O-OG 3.38Å; L45-S48 PolarHBondContact O-N 3.15Å; L45-S48 PolarHBondContact O-OG 3.01Å; S48-V51 PolarHBondContact O-N 3.28Å; S48-L52 WeakPolarHBondContact O-CB 3.42Å; S48-L52 PolarHBondContact O-N 2.95Å; S48-V199 WeakPolarHBondContact OG-CG1 3.42Å |
| 49 | Q | 95.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.7 | -48.5 | 168.1 | -74 | 173.3 | -40.7 | 0 | 0 | 111.6 | L45 V51 L52 G53 V84 S87 G88 F106 V199 C200 | L45-Q49 WeakPolarHBondContact O-CB 3.48Å; L45-Q49 VanDerWaalsContact O-CG 3.28Å; L45-Q49 WeakPolarHBondContact O-CG 3.22Å; L45-Q49 PolarHBondContact O-N 3.24Å; Q49-V51 VanDerWaalsContact C-N 3.34Å; Q49-V51 PolarHBondContact O-N 2.9Å; Q49-L52 PolarHBondContact O-N 3.35Å; Q49-G53 PolarHBondContact O-N 2.91Å; Q49-V84 HydrophobicContact CB-CG1 4.24Å; Q49-V84 WeakPolarHBondContact O-CG1 3.37Å; Q49-S87 PolarHBondContact NE2-OG 3.09Å; Q49-G88 VanDerWaalsContact CB-CA 3.49Å; Q49-F106 VanDerWaalsContact OE1-CE2 3.32Å; Q49-V199 HydrophobicContact CG-CG1 3.67Å; Q49-C200 PolarHBondContact NE2-SG 3.48Å |
| 50 | M | 95.9 | Very high | 93.6 | Very high | 73 Ų | 73 | 43.7 Ų | 43.7 | 36% | 0.36 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60 | -43.3 | -180 | -171.2 | -174.6 | 71.8 | 0 | 0 | 112 | G46 V47 S54 | G46-M50 WeakPolarHBondContact O-CB 3.14Å; G46-M50 PolarHBondContact O-N 2.95Å; V47-M50 PolarHBondContact O-N 2.83Å; M50-S54 WeakPolarHBondContact O-CB 3.23Å; M50-S54 PolarHBondContact O-N 3.39Å; M50-S54 VanDerWaalsContact O-N 3.15Å; M50-S54 PolarHBondContact O-OG 2.85Å |
| 51 | V | 97.3 | Very high | 93.7 | Very high | 88 Ų | 88 | 41.7 Ų | 41.7 | 53% | 0.533 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -65.6 | -45.8 | 175.6 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | V47 S48 Q49 S54 L55 | V47-V51 WeakPolarHBondContact O-CG2 3.41Å; V47-V51 PolarHBondContact O-N 2.97Å; S48-V51 PolarHBondContact O-N 3.28Å; Q49-V51 VanDerWaalsContact C-N 3.34Å; Q49-V51 PolarHBondContact O-N 2.9Å; V51-S54 WeakPolarHBondContact O-CB 3.09Å; V51-S54 PolarHBondContact O-N 3.46Å; V51-L55 WeakPolarHBondContact O-CB 3.2Å; V51-L55 PolarHBondContact O-N 3.08Å |
| 52 | L | 95.6 | Very high | 93.6 | Very high | 18 Ų | 18 | 40 Ų | 40 | 9% | 0.094 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -72.4 | -39.1 | -175 | -175.3 | 51.8 | 0 | 0 | 0 | 112.6 | S48 Q49 S54 L55 I56 L192 I195 S196 V199 | S48-L52 WeakPolarHBondContact O-CB 3.42Å; S48-L52 PolarHBondContact O-N 2.95Å; Q49-L52 PolarHBondContact O-N 3.35Å; L52-S54 VanDerWaalsContact C-N 3.35Å; L52-L55 PolarHBondContact O-N 3.22Å; L52-I56 HydrophobicContact CD1-CD1 4.29Å; L52-I56 HydrophobicContact CD1-CG1 4.43Å; L52-I56 HydrophobicContact CG-CD1 4.13Å; L52-I56 VanDerWaalsContact O-CG1 3.29Å; L52-I56 WeakPolarHBondContact O-CG1 3.41Å; L52-I56 PolarHBondContact O-N 2.94Å; L52-L192 HydrophobicContact CD1-CB 4.38Å; L52-L192 HydrophobicContact CD1-CD2 3.67Å; L52-I195 HydrophobicContact CD2-CB 4.4Å; L52-I195 HydrophobicContact CD2-CG2 3.85Å; L52-S196 VanDerWaalsContact CD2-CA 3.47Å; L52-V199 HydrophobicContact CD2-CG2 4.36Å |
| 53 | G | 95.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.7 | -40.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q49 L55 I56 L57 G81 | Q49-G53 PolarHBondContact O-N 2.91Å; G53-L55 VanDerWaalsContact C-N 3.34Å; G53-L55 PolarHBondContact O-N 2.87Å; G53-I56 PolarHBondContact O-N 3.22Å; G53-L57 WeakPolarHBondContact O-CB 3.43Å; G53-L57 VanDerWaalsContact O-CG 3.31Å; G53-L57 WeakPolarHBondContact O-CG 3.28Å; G53-L57 PolarHBondContact O-N 3.41Å; G53-G81 WeakPolarHBondContact CA-O 2.96Å |
| 54 | S | 96.3 | Very high | 93.3 | Very high | 53 Ų | 53 | 38.4 Ų | 38.4 | 37% | 0.371 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -61.4 | -41.4 | 172.7 | -58.3 | 0 | 0 | 0 | 0 | 112 | M50 V51 L52 A58 L85 | M50-S54 WeakPolarHBondContact O-CB 3.23Å; M50-S54 PolarHBondContact O-N 3.39Å; M50-S54 VanDerWaalsContact O-N 3.15Å; M50-S54 PolarHBondContact O-OG 2.85Å; V51-S54 WeakPolarHBondContact O-CB 3.09Å; V51-S54 PolarHBondContact O-N 3.46Å; L52-S54 VanDerWaalsContact C-N 3.35Å; S54-A58 WeakPolarHBondContact O-CB 3.48Å; S54-A58 PolarHBondContact O-N 3.35Å; S54-L85 WeakPolarHBondContact OG-CD1 3.46Å |
| 55 | L | 96.3 | Very high | 92.9 | Very high | 80 Ų | 80 | 38.4 Ų | 38.4 | 42% | 0.419 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -69.3 | -44 | 178.2 | -174.9 | 58.7 | 0 | 0 | 0 | 112 | V51 L52 G53 L57 A58 V59 L192 | V51-L55 WeakPolarHBondContact O-CB 3.2Å; V51-L55 PolarHBondContact O-N 3.08Å; L52-L55 PolarHBondContact O-N 3.22Å; G53-L55 VanDerWaalsContact C-N 3.34Å; G53-L55 PolarHBondContact O-N 2.87Å; L55-L57 VanDerWaalsContact C-N 3.31Å; L55-L57 PolarHBondContact O-N 3.31Å; L55-A58 PolarHBondContact O-N 3.5Å; L55-V59 HydrophobicContact CD1-CG2 3.98Å; L55-V59 HydrophobicContact CG-CG2 4.4Å; L55-V59 VanDerWaalsContact O-CG2 3.31Å; L55-V59 WeakPolarHBondContact O-CG2 3.29Å; L55-V59 PolarHBondContact O-N 2.95Å; L55-L192 HydrophobicContact CD2-CD1 4.29Å; L55-L192 HydrophobicContact CD2-CD2 3.63Å; L55-L192 HydrophobicContact CG-CD1 4.02Å; L55-L192 HydrophobicContact CG-CD2 4.2Å |
| 56 | I | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.4 | -43 | 174.5 | -70.4 | 162.9 | 0 | 0 | 0 | 110.7 | L52 G53 S60 L192 | L52-I56 HydrophobicContact CD1-CD1 4.29Å; L52-I56 HydrophobicContact CD1-CG1 4.43Å; L52-I56 HydrophobicContact CG-CD1 4.13Å; L52-I56 VanDerWaalsContact O-CG1 3.29Å; L52-I56 WeakPolarHBondContact O-CG1 3.41Å; L52-I56 PolarHBondContact O-N 2.94Å; G53-I56 PolarHBondContact O-N 3.22Å; I56-S60 WeakPolarHBondContact O-CB 3.2Å; I56-S60 PolarHBondContact O-N 3.24Å; I56-S60 PolarHBondContact O-OG 3.31Å; I56-L192 HydrophobicContact CD1-CB 4.42Å; I56-L192 HydrophobicContact CG1-CB 3.79Å |
| 57 | L | 94.3 | Very high | 91.5 | Very high | 29 Ų | 29 | 38.6 Ų | 38.6 | 15% | 0.152 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60.7 | -51.5 | 173.9 | -76.2 | 168.4 | 0 | 0 | 0 | 111.5 | G53 L55 V59 S60 F61 F78 F82 L85 | G53-L57 WeakPolarHBondContact O-CB 3.43Å; G53-L57 VanDerWaalsContact O-CG 3.31Å; G53-L57 WeakPolarHBondContact O-CG 3.28Å; G53-L57 PolarHBondContact O-N 3.41Å; L55-L57 VanDerWaalsContact C-N 3.31Å; L55-L57 PolarHBondContact O-N 3.31Å; L57-V59 PolarHBondContact O-N 3.13Å; L57-S60 PolarHBondContact O-N 3.47Å; L57-F61 HydrophobicContact CD2-CE2 4.26Å; L57-F61 WeakPolarHBondContact O-CD2 3.3Å; L57-F61 PolarHBondContact O-N 2.98Å; L57-F78 HydrophobicContact CD2-CB 4.23Å; L57-F78 VanDerWaalsContact CD2-O 3.28Å; L57-F78 WeakPolarHBondContact CD2-O 3.39Å; L57-F82 HydrophobicContact CD2-CB 4.32Å; L57-L85 HydrophobicContact CD1-CB 4.49Å; L57-L85 HydrophobicContact CD1-CD1 3.8Å |
| 58 | A | 94.4 | Very high | 90 | Very high | 60 Ų | 60 | 38 Ų | 38 | 50% | 0.496 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -60 | -46 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S54 L55 F61 A62 | S54-A58 WeakPolarHBondContact O-CB 3.48Å; S54-A58 PolarHBondContact O-N 3.35Å; L55-A58 PolarHBondContact O-N 3.5Å; A58-F61 PolarHBondContact O-N 2.97Å; A58-A62 PolarHBondContact O-N 3.21Å |
| 59 | V | 92.3 | Very high | 88.5 | Confident | 19 Ų | 19 | 36.6 Ų | 36.6 | 12% | 0.115 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -71.1 | -35.1 | 178.7 | -174.5 | 0 | 0 | 0 | 0 | 111.1 | L55 L57 A62 A63 L185 V189 L192 | L55-V59 HydrophobicContact CD1-CG2 3.98Å; L55-V59 HydrophobicContact CG-CG2 4.4Å; L55-V59 VanDerWaalsContact O-CG2 3.31Å; L55-V59 WeakPolarHBondContact O-CG2 3.29Å; L55-V59 PolarHBondContact O-N 2.95Å; L57-V59 PolarHBondContact O-N 3.13Å; V59-A62 PolarHBondContact O-N 2.97Å; V59-A63 PolarHBondContact O-N 3.25Å; V59-L185 HydrophobicContact CG1-CD2 3.72Å; V59-V189 HydrophobicContact CB-CG2 4.02Å; V59-V189 HydrophobicContact CG1-CG2 3.45Å; V59-V189 VanDerWaalsContact CG1-CG2 3.45Å; V59-L192 HydrophobicContact CB-CD1 4.45Å; V59-L192 HydrophobicContact CG2-CD1 4.1Å |
| 60 | S | 91.2 | Very high | 86.8 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.4 | -43.1 | 172.1 | -62.8 | 0 | 0 | 0 | 0 | 111.9 | I56 L57 A63 L64 | I56-S60 WeakPolarHBondContact O-CB 3.2Å; I56-S60 PolarHBondContact O-N 3.24Å; I56-S60 PolarHBondContact O-OG 3.31Å; L57-S60 PolarHBondContact O-N 3.47Å; S60-A63 PolarHBondContact O-N 3.36Å; S60-L64 WeakPolarHBondContact O-CB 3.3Å; S60-L64 VanDerWaalsContact O-CG 3.23Å; S60-L64 WeakPolarHBondContact O-CG 3.32Å; S60-L64 PolarHBondContact O-N 3.15Å |
| 61 | F | 90.2 | Very high | 84.9 | Confident | 123 Ų | 123 | 45.2 Ų | 45.2 | 54% | 0.539 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -67 | -35.7 | 175 | -80.8 | -62.9 | 0 | 0 | 0 | 112.6 | L57 A58 L64 A65 | L57-F61 HydrophobicContact CD2-CE2 4.26Å; L57-F61 WeakPolarHBondContact O-CD2 3.3Å; L57-F61 PolarHBondContact O-N 2.98Å; A58-F61 PolarHBondContact O-N 2.97Å; F61-L64 HydrophobicContact CD1-CD1 3.99Å; F61-L64 HydrophobicContact CE1-CD1 4.3Å; F61-L64 PolarHBondContact O-N 3.22Å; F61-A65 WeakPolarHBondContact O-CB 3.43Å; F61-A65 PolarHBondContact O-N 3.29Å |
| 62 | A | 89.2 | Confident | 83 | Confident | 43 Ų | 43 | 41.3 Ų | 41.3 | 36% | 0.355 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -62.6 | -43.7 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A58 V59 A65 L66 | A58-A62 PolarHBondContact O-N 3.21Å; V59-A62 PolarHBondContact O-N 2.97Å; A62-A65 PolarHBondContact O-N 3.26Å; A62-L66 WeakPolarHBondContact O-CG 3.37Å; A62-L66 PolarHBondContact O-N 2.86Å |
| 63 | A | 85.8 | Confident | 81.5 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 2% | 0.017 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62 | -45.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V59 S60 A65 L66 T67 L182 | V59-A63 PolarHBondContact O-N 3.25Å; S60-A63 PolarHBondContact O-N 3.36Å; A63-A65 VanDerWaalsContact C-N 3.27Å; A63-A65 PolarHBondContact O-N 3.47Å; A63-L66 PolarHBondContact O-N 3.38Å; A63-T67 VanDerWaalsContact O-CG2 3.26Å; A63-T67 WeakPolarHBondContact O-CG2 3.42Å; A63-T67 PolarHBondContact O-N 2.68Å; A63-T67 VanDerWaalsContact O-N 3.12Å; A63-L182 HydrophobicContact CB-CD1 4.15Å |
| 64 | L | 84.8 | Confident | 80 | Confident | 27 Ų | 27 | 54.2 Ų | 54.2 | 14% | 0.141 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.7 | -28.6 | 176.2 | -73.9 | 167 | 0 | 0 | 0 | 113.9 | S60 F61 R73 C76 F78 | S60-L64 WeakPolarHBondContact O-CB 3.3Å; S60-L64 VanDerWaalsContact O-CG 3.23Å; S60-L64 WeakPolarHBondContact O-CG 3.32Å; S60-L64 PolarHBondContact O-N 3.15Å; F61-L64 HydrophobicContact CD1-CD1 3.99Å; F61-L64 HydrophobicContact CE1-CD1 4.3Å; F61-L64 PolarHBondContact O-N 3.22Å; L64-R73 HydrophobicContact CD2-CB 4.2Å; L64-R73 HydrophobicContact CD2-CG 3.89Å; L64-C76 HydrophobicContact CD1-CB 4.15Å; L64-C76 HydrophobicContact CD2-CB 3.82Å; L64-C76 HydrophobicContact CG-CB 3.92Å; L64-F78 HydrophobicContact CD1-CD1 4.34Å |
| 65 | A | 85.2 | Confident | 78.5 | Confident | 61 Ų | 61 | 53.1 Ų | 53.1 | 50% | 0.504 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -77.2 | -27.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F61 A62 A63 | F61-A65 WeakPolarHBondContact O-CB 3.43Å; F61-A65 PolarHBondContact O-N 3.29Å; A62-A65 PolarHBondContact O-N 3.26Å; A63-A65 VanDerWaalsContact C-N 3.27Å; A63-A65 PolarHBondContact O-N 3.47Å |
| 66 | L | 80.6 | Confident | 77.3 | Confident | 28 Ų | 28 | 49.6 Ų | 49.6 | 15% | 0.147 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -84.4 | -26.9 | 177 | -64.6 | 174.3 | 0 | 0 | 0 | 112.8 | A62 A63 L169 N170 L172 I178 L185 | A62-L66 WeakPolarHBondContact O-CG 3.37Å; A62-L66 PolarHBondContact O-N 2.86Å; A63-L66 PolarHBondContact O-N 3.38Å; L66-L169 WeakPolarHBondContact O-CA 3.47Å; L66-N170 PolarHBondContact O-N 2.8Å; L66-L172 HydrophobicContact CD2-CD1 4Å; L66-I178 HydrophobicContact CB-CG2 4.47Å; L66-I178 HydrophobicContact CD2-CG2 4.36Å; L66-L185 HydrophobicContact CD1-CD1 3.5Å; L66-L185 VanDerWaalsContact CD1-CD1 3.5Å |
| 67 | T | 75.6 | Confident | 76.8 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -107.7 | 115.7 | 179.7 | -170.1 | 0 | 0 | 0 | 0 | 112.4 | A63 S69 V72 | A63-T67 VanDerWaalsContact O-CG2 3.26Å; A63-T67 WeakPolarHBondContact O-CG2 3.42Å; A63-T67 PolarHBondContact O-N 2.68Å; A63-T67 VanDerWaalsContact O-N 3.12Å; T67-S69 VanDerWaalsContact C-N 3.3Å; T67-V72 HydrophobicContact CG2-CB 3.74Å; T67-V72 HydrophobicContact CG2-CG1 3.6Å; T67-V72 HydrophobicContact CG2-CG2 4.38Å |
| 68 | T | 65.3 | Low | 76.5 | Confident | 49 Ų | 49 | 51.3 Ų | 51.3 | 30% | 0.301 | 27% | 0.274 | S | S | . | . | trans | -85.4 | -8.3 | 174.2 | 55.3 | 0 | 0 | 0 | 0 | 112.3 | K168 N170 | T68-K168 PolarHBondContact N-O 2.96Å; T68-K168 VanDerWaalsContact N-O 3.12Å; T68-K168 WeakPolarHBondContact OG1-CB 3.29Å; T68-K168 PolarHBondContact OG1-O 2.74Å; T68-N170 HydrophobicContact CG2-CB 4.15Å | ||
| 69 | S | 63.8 | Low | 76.3 | Confident | 13 Ų | 13 | 56.4 Ų | 56.4 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | trans | -65.3 | 123.3 | -177.9 | -177.4 | 0 | 0 | 0 | 0 | 112.8 | T67 R71 V72 R73 K168 | T67-S69 VanDerWaalsContact C-N 3.3Å; S69-R71 PolarHBondContact O-N 2.83Å; S69-V72 PolarHBondContact O-N 3.5Å; S69-V72 VanDerWaalsContact O-N 3.13Å; S69-R73 PolarHBondContact O-N 3.49Å; S69-K168 PolarHBondContact N-O 3.01Å | ||
| 70 | P | 58 | Low | 76.3 | Confident | 88 Ų | 88 | 55.7 Ų | 55.7 | 57% | 0.571 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -64.6 | -26.4 | -179.4 | 26.5 | -34.3 | 0 | 0 | 0 | 112.8 | V72 R73 H74 | P70-V72 VanDerWaalsContact C-N 3.26Å; P70-V72 PolarHBondContact O-N 3.46Å; P70-R73 PolarHBondContact O-N 2.82Å; P70-H74 PolarHBondContact O-CD2 2.84Å; P70-H74 PolarHBondContact O-N 3.26Å |
| 71 | R | 56.6 | Low | 76.4 | Confident | 167 Ų | 167 | 55.6 Ų | 55.6 | 63% | 0.63 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.1 | -35.8 | 174.9 | -80 | -173.5 | 153.9 | -157.4 | -14.7 | 112.3 | S69 S75 A164 | S69-R71 PolarHBondContact O-N 2.83Å; R71-S75 PolarHBondContact O-OG 3.46Å; R71-S75 VanDerWaalsContact O-OG 3.08Å; R71-A164 WeakPolarHBondContact CD-O 3.48Å; R71-A164 PolarHBondContact NH1-O 3.29Å |
| 72 | V | 56.8 | Low | 76.6 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -81 | -30 | 178.7 | -171 | 0 | 0 | 0 | 0 | 111.5 | T67 S69 P70 H74 S75 C76 L167 | T67-V72 HydrophobicContact CG2-CB 3.74Å; T67-V72 HydrophobicContact CG2-CG1 3.6Å; T67-V72 HydrophobicContact CG2-CG2 4.38Å; S69-V72 PolarHBondContact O-N 3.5Å; S69-V72 VanDerWaalsContact O-N 3.13Å; P70-V72 VanDerWaalsContact C-N 3.26Å; P70-V72 PolarHBondContact O-N 3.46Å; V72-H74 VanDerWaalsContact C-N 3.31Å; V72-H74 PolarHBondContact O-N 2.87Å; V72-S75 CarbonylContact O-C 3.59Å; V72-S75 PolarHBondContact O-N 3.29Å; V72-C76 PolarHBondContact O-N 3.01Å; V72-L167 HydrophobicContact CG2-CD1 4.03Å |
| 73 | R | 65.5 | Low | 76.9 | Confident | 121 Ų | 121 | 53.3 Ų | 53.3 | 46% | 0.457 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.6 | -32.7 | -179.6 | -67.2 | -174.8 | 174.7 | 164.6 | -3.5 | 114.2 | L64 S69 P70 | L64-R73 HydrophobicContact CD2-CB 4.2Å; L64-R73 HydrophobicContact CD2-CG 3.89Å; S69-R73 PolarHBondContact O-N 3.49Å; P70-R73 PolarHBondContact O-N 2.82Å |
| 74 | H | 63.2 | Low | 77.3 | Confident | 167 Ų | 167 | 53.2 Ų | 53.2 | 77% | 0.773 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -13.3 | 172.4 | -69.6 | -80.9 | 0 | 0 | 0 | 113.7 | P70 V72 | P70-H74 PolarHBondContact O-CD2 2.84Å; P70-H74 PolarHBondContact O-N 3.26Å; V72-H74 VanDerWaalsContact C-N 3.31Å; V72-H74 PolarHBondContact O-N 2.87Å |
| 75 | S | 65.9 | Low | 77.8 | Confident | 31 Ų | 31 | 54 Ų | 54 | 22% | 0.217 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | -16 | -175.9 | -58.3 | 0 | 0 | 0 | 0 | 114.6 | R71 V72 | R71-S75 PolarHBondContact O-OG 3.46Å; R71-S75 VanDerWaalsContact O-OG 3.08Å; V72-S75 CarbonylContact O-C 3.59Å; V72-S75 PolarHBondContact O-N 3.29Å |
| 76 | C | 71.1 | Confident | 78.3 | Confident | 6 Ų | 6 | 54.1 Ų | 54.1 | 4% | 0.041 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -66.6 | 133.3 | 174.7 | -78.9 | 0 | 0 | 0 | 0 | 111.4 | L64 V72 F78 | L64-C76 HydrophobicContact CD1-CB 4.15Å; L64-C76 HydrophobicContact CD2-CB 3.82Å; L64-C76 HydrophobicContact CG-CB 3.92Å; V72-C76 PolarHBondContact O-N 3.01Å; C76-F78 VanDerWaalsContact O-CD1 3.3Å; C76-F78 WeakPolarHBondContact O-CD1 3.39Å; C76-F78 PolarHBondContact O-N 3.46Å |
| 77 | P | 83.2 | Confident | 79 | Confident | 10 Ų | 10 | 52.8 Ų | 52.8 | 7% | 0.065 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | 38.9 | -171 | 34.9 | -37.7 | 0 | 0 | 0 | 113.9 | W79 A80 G81 V189 N193 | P77-W79 PolarHBondContact O-N 2.75Å; P77-A80 HydrophobicContact CB-CB 4.14Å; P77-A80 WeakPolarHBondContact O-CB 3.38Å; P77-A80 PolarHBondContact O-N 2.97Å; P77-G81 PolarHBondContact O-N 2.95Å; P77-G81 VanDerWaalsContact O-N 3.1Å; P77-V189 HydrophobicContact CG-CG1 3.34Å; P77-N193 WeakPolarHBondContact CG-ND2 3.29Å |
| 78 | F | 87.6 | Confident | 79.9 | Confident | 54 Ų | 54 | 52.8 Ų | 52.8 | 24% | 0.237 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.7 | -33.9 | 177.9 | 70.2 | -93.5 | 0 | 0 | 0 | 111.9 | L57 L64 C76 A80 G81 F82 | L57-F78 HydrophobicContact CD2-CB 4.23Å; L57-F78 VanDerWaalsContact CD2-O 3.28Å; L57-F78 WeakPolarHBondContact CD2-O 3.39Å; L64-F78 HydrophobicContact CD1-CD1 4.34Å; C76-F78 VanDerWaalsContact O-CD1 3.3Å; C76-F78 WeakPolarHBondContact O-CD1 3.39Å; C76-F78 PolarHBondContact O-N 3.46Å; F78-A80 VanDerWaalsContact C-N 3.32Å; F78-A80 PolarHBondContact O-N 2.7Å; F78-G81 PolarHBondContact O-N 3.26Å; F78-F82 WeakPolarHBondContact O-CB 3.37Å; F78-F82 PolarHBondContact O-N 2.95Å |
| 79 | W | 90.4 | Very high | 81.2 | Confident | 168 Ų | 168 | 54.5 Ų | 54.5 | 64% | 0.636 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -59 | -39.1 | 170.7 | -61.6 | 112 | 0 | 0 | 0 | 113.1 | P77 S83 | P77-W79 PolarHBondContact O-N 2.75Å; W79-S83 WeakPolarHBondContact O-CB 3.31Å; W79-S83 PolarHBondContact O-N 2.69Å |
| 80 | A | 92.7 | Very high | 82.6 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 3% | 0.025 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -68.9 | -47.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | P77 F78 F82 S83 V84 L116 | P77-A80 HydrophobicContact CB-CB 4.14Å; P77-A80 WeakPolarHBondContact O-CB 3.38Å; P77-A80 PolarHBondContact O-N 2.97Å; F78-A80 VanDerWaalsContact C-N 3.32Å; F78-A80 PolarHBondContact O-N 2.7Å; A80-F82 VanDerWaalsContact C-N 3.29Å; A80-F82 PolarHBondContact O-N 3.46Å; A80-S83 WeakPolarHBondContact O-CB 3.43Å; A80-S83 PolarHBondContact O-N 2.94Å; A80-S83 VanDerWaalsContact O-N 3.15Å; A80-V84 WeakPolarHBondContact O-CG2 3.26Å; A80-V84 PolarHBondContact O-N 3.25Å; A80-L116 HydrophobicContact CB-CB 4.09Å |
| 81 | G | 93.3 | Very high | 84.1 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.5 | -39.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | G53 P77 F78 V84 L85 | G53-G81 WeakPolarHBondContact CA-O 2.96Å; P77-G81 PolarHBondContact O-N 2.95Å; P77-G81 VanDerWaalsContact O-N 3.1Å; F78-G81 PolarHBondContact O-N 3.26Å; G81-V84 PolarHBondContact O-N 2.99Å; G81-L85 WeakPolarHBondContact O-CB 3.5Å; G81-L85 PolarHBondContact O-N 3.39Å |
| 82 | F | 94.3 | Very high | 85.8 | Confident | 103 Ų | 103 | 45.1 Ų | 45.1 | 45% | 0.452 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -66.7 | -43.6 | 174.3 | -176.3 | -111.8 | 0 | 0 | 0 | 112.7 | L57 F78 A80 V84 L85 L86 | L57-F82 HydrophobicContact CD2-CB 4.32Å; F78-F82 WeakPolarHBondContact O-CB 3.37Å; F78-F82 PolarHBondContact O-N 2.95Å; A80-F82 VanDerWaalsContact C-N 3.29Å; A80-F82 PolarHBondContact O-N 3.46Å; F82-V84 VanDerWaalsContact C-N 3.35Å; F82-V84 PolarHBondContact O-N 2.8Å; F82-L85 PolarHBondContact O-N 2.87Å; F82-L86 HydrophobicContact CD1-CD1 4.03Å; F82-L86 HydrophobicContact CD1-CG 4.49Å; F82-L86 HydrophobicContact CE1-CD1 3.47Å; F82-L86 VanDerWaalsContact CE1-CD1 3.47Å; F82-L86 HydrophobicContact CE1-CG 4.13Å; F82-L86 HydrophobicContact CE2-CD1 4.44Å; F82-L86 HydrophobicContact CE2-CD2 4.41Å; F82-L86 HydrophobicContact CE2-CG 4.27Å; F82-L86 HydrophobicContact CZ-CD1 3.71Å; F82-L86 HydrophobicContact CZ-CD2 4.21Å; F82-L86 HydrophobicContact CZ-CG 4.01Å; F82-L86 WeakPolarHBondContact O-CG 3.41Å; F82-L86 PolarHBondContact O-N 3.2Å |
| 83 | S | 94.6 | Very high | 87.3 | Confident | 14 Ų | 14 | 48.8 Ų | 48.8 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.9 | -42.8 | 174.7 | 176.1 | 0 | 0 | 0 | 0 | 112.2 | W79 A80 L86 S87 | W79-S83 WeakPolarHBondContact O-CB 3.31Å; W79-S83 PolarHBondContact O-N 2.69Å; A80-S83 WeakPolarHBondContact O-CB 3.43Å; A80-S83 PolarHBondContact O-N 2.94Å; A80-S83 VanDerWaalsContact O-N 3.15Å; S83-L86 PolarHBondContact O-N 2.99Å; S83-S87 WeakPolarHBondContact O-CB 3.3Å; S83-S87 PolarHBondContact O-N 2.59Å |
| 84 | V | 95.4 | Very high | 88.3 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 175.6 | 179.1 | 0 | 0 | 0 | 0 | 111 | Q49 A80 G81 F82 S87 G88 C113 N117 S196 | Q49-V84 HydrophobicContact CB-CG1 4.24Å; Q49-V84 WeakPolarHBondContact O-CG1 3.37Å; A80-V84 WeakPolarHBondContact O-CG2 3.26Å; A80-V84 PolarHBondContact O-N 3.25Å; G81-V84 PolarHBondContact O-N 2.99Å; F82-V84 VanDerWaalsContact C-N 3.35Å; F82-V84 PolarHBondContact O-N 2.8Å; V84-S87 PolarHBondContact O-N 3.41Å; V84-G88 PolarHBondContact O-N 3.12Å; V84-C113 WeakPolarHBondContact CG2-SG 3.31Å; V84-N117 WeakPolarHBondContact CG2-ND2 3.49Å; V84-S196 WeakPolarHBondContact CG2-OG 3.38Å |
| 85 | L | 95.8 | Very high | 89.3 | Confident | 43 Ų | 43 | 39.4 Ų | 39.4 | 23% | 0.225 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.8 | -42.2 | -179.9 | -172.2 | 153.2 | 0 | 0 | 0 | 111.8 | S54 L57 G81 F82 L89 | S54-L85 WeakPolarHBondContact OG-CD1 3.46Å; L57-L85 HydrophobicContact CD1-CB 4.49Å; L57-L85 HydrophobicContact CD1-CD1 3.8Å; G81-L85 WeakPolarHBondContact O-CB 3.5Å; G81-L85 PolarHBondContact O-N 3.39Å; F82-L85 PolarHBondContact O-N 2.87Å; L85-L89 WeakPolarHBondContact O-CB 3.45Å; L85-L89 PolarHBondContact O-N 3.36Å |
| 86 | L | 94.8 | Very high | 90.1 | Very high | 63 Ų | 63 | 46.5 Ų | 46.5 | 33% | 0.33 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.6 | -46.2 | 172.9 | -72.9 | -177.4 | 0 | 0 | 0 | 111.8 | F82 S83 G88 L89 I90 | F82-L86 HydrophobicContact CD1-CD1 4.03Å; F82-L86 HydrophobicContact CD1-CG 4.49Å; F82-L86 HydrophobicContact CE1-CD1 3.47Å; F82-L86 VanDerWaalsContact CE1-CD1 3.47Å; F82-L86 HydrophobicContact CE1-CG 4.13Å; F82-L86 HydrophobicContact CE2-CD1 4.44Å; F82-L86 HydrophobicContact CE2-CD2 4.41Å; F82-L86 HydrophobicContact CE2-CG 4.27Å; F82-L86 HydrophobicContact CZ-CD1 3.71Å; F82-L86 HydrophobicContact CZ-CD2 4.21Å; F82-L86 HydrophobicContact CZ-CG 4.01Å; F82-L86 WeakPolarHBondContact O-CG 3.41Å; F82-L86 PolarHBondContact O-N 3.2Å; S83-L86 PolarHBondContact O-N 2.99Å; L86-G88 PolarHBondContact O-N 3Å; L86-L89 PolarHBondContact O-N 2.93Å; L86-I90 WeakPolarHBondContact O-CB 3.34Å; L86-I90 WeakPolarHBondContact O-CD1 3.39Å; L86-I90 VanDerWaalsContact O-CG1 3.29Å; L86-I90 WeakPolarHBondContact O-CG1 3.33Å; L86-I90 PolarHBondContact O-N 3.46Å |
| 87 | S | 94.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -56.5 | -49.8 | 176.2 | -175.1 | 0 | 0 | 0 | 0 | 110.6 | Q49 S83 V84 L89 I90 G91 F106 | Q49-S87 PolarHBondContact NE2-OG 3.09Å; S83-S87 WeakPolarHBondContact O-CB 3.3Å; S83-S87 PolarHBondContact O-N 2.59Å; V84-S87 PolarHBondContact O-N 3.41Å; S87-L89 PolarHBondContact O-N 3.47Å; S87-I90 PolarHBondContact O-N 3.13Å; S87-G91 PolarHBondContact O-N 3.32Å; S87-F106 VanDerWaalsContact O-CD2 3.31Å; S87-F106 WeakPolarHBondContact O-CD2 3.45Å; S87-F106 WeakPolarHBondContact O-CE2 3.41Å; S87-F106 WeakPolarHBondContact OG-CE2 3.13Å |
| 88 | G | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114 | G46 Q49 V84 L86 I90 G91 V92 | G46-G88 CarbonylContact O-C 3.38Å; G46-G88 VanDerWaalsContact O-CA 3.28Å; G46-G88 WeakPolarHBondContact O-CA 3.42Å; Q49-G88 VanDerWaalsContact CB-CA 3.49Å; V84-G88 PolarHBondContact O-N 3.12Å; L86-G88 PolarHBondContact O-N 3Å; G88-I90 VanDerWaalsContact C-N 3.3Å; G88-I90 PolarHBondContact O-N 2.95Å; G88-G91 PolarHBondContact O-N 3.5Å; G88-V92 WeakPolarHBondContact O-CG2 3.38Å; G88-V92 PolarHBondContact O-N 3.1Å |
| 89 | L | 93.8 | Very high | 89.8 | Confident | 85 Ų | 85 | 60.4 Ų | 60.4 | 45% | 0.445 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -57.5 | -44.5 | 174.3 | 177.7 | 62.9 | 0 | 0 | 0 | 111.3 | L85 L86 S87 V92 V93 | L85-L89 WeakPolarHBondContact O-CB 3.45Å; L85-L89 PolarHBondContact O-N 3.36Å; L86-L89 PolarHBondContact O-N 2.93Å; S87-L89 PolarHBondContact O-N 3.47Å; L89-V92 CarbonylContact O-C 3.48Å; L89-V92 PolarHBondContact O-N 3.43Å; L89-V93 WeakPolarHBondContact O-CG2 3.21Å; L89-V93 PolarHBondContact O-N 2.89Å |
| 90 | I | 92.2 | Very high | 89.3 | Confident | 29 Ų | 29 | 56 Ų | 56 | 15% | 0.149 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -68.9 | -38.9 | 179.4 | -67.9 | 161.4 | 0 | 0 | 0 | 110.8 | L86 S87 G88 V92 V93 S94 V102 F105 F106 L109 | L86-I90 WeakPolarHBondContact O-CB 3.34Å; L86-I90 WeakPolarHBondContact O-CD1 3.39Å; L86-I90 VanDerWaalsContact O-CG1 3.29Å; L86-I90 WeakPolarHBondContact O-CG1 3.33Å; L86-I90 PolarHBondContact O-N 3.46Å; S87-I90 PolarHBondContact O-N 3.13Å; G88-I90 VanDerWaalsContact C-N 3.3Å; G88-I90 PolarHBondContact O-N 2.95Å; I90-V92 VanDerWaalsContact C-N 3.29Å; I90-V92 PolarHBondContact O-N 3.3Å; I90-V93 CarbonylContact O-C 3.22Å; I90-V93 WeakPolarHBondContact O-CA 3.42Å; I90-V93 PolarHBondContact O-N 3Å; I90-S94 PolarHBondContact O-N 2.77Å; I90-S94 PolarHBondContact O-OG 2.94Å; I90-V102 HydrophobicContact CG2-CG1 3.88Å; I90-F105 HydrophobicContact CD1-CD1 4.02Å; I90-F105 HydrophobicContact CD1-CE1 3.58Å; I90-F105 HydrophobicContact CD1-CZ 4.5Å; I90-F105 HydrophobicContact CG2-CD1 4.28Å; I90-F106 HydrophobicContact CG2-CB 4.07Å; I90-L109 HydrophobicContact CD1-CD1 3.3Å |
| 91 | G | 90.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.7 | -38.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | S87 G88 V93 W95 | S87-G91 PolarHBondContact O-N 3.32Å; G88-G91 PolarHBondContact O-N 3.5Å; G91-V93 VanDerWaalsContact C-N 3.32Å; G91-W95 PolarHBondContact O-N 3.36Å |
| 92 | V | 91.6 | Very high | 88.5 | Confident | 43 Ų | 43 | 64.3 Ų | 64.3 | 26% | 0.261 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -74.3 | -18.3 | 174.2 | 177.6 | 0 | 0 | 0 | 0 | 112.9 | L43 V47 G88 L89 I90 W95 | L43-V92 HydrophobicContact CD1-CG1 4.48Å; L43-V92 HydrophobicContact CD1-CG2 4.39Å; V47-V92 HydrophobicContact CG2-CG2 3.9Å; G88-V92 WeakPolarHBondContact O-CG2 3.38Å; G88-V92 PolarHBondContact O-N 3.1Å; L89-V92 CarbonylContact O-C 3.48Å; L89-V92 PolarHBondContact O-N 3.43Å; I90-V92 VanDerWaalsContact C-N 3.29Å; I90-V92 PolarHBondContact O-N 3.3Å; V92-W95 WeakPolarHBondContact O-CB 3.28Å |
| 93 | V | 88.9 | Confident | 88 | Confident | 83 Ų | 83 | 60.2 Ų | 60.2 | 50% | 0.503 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -83.2 | -45.2 | 169 | 172.8 | 0 | 0 | 0 | 0 | 111.2 | L89 I90 G91 W95 K96 R97 | L89-V93 WeakPolarHBondContact O-CG2 3.21Å; L89-V93 PolarHBondContact O-N 2.89Å; I90-V93 CarbonylContact O-C 3.22Å; I90-V93 WeakPolarHBondContact O-CA 3.42Å; I90-V93 PolarHBondContact O-N 3Å; G91-V93 VanDerWaalsContact C-N 3.32Å; V93-W95 PolarHBondContact O-N 2.94Å; V93-K96 PolarHBondContact O-N 3.08Å; V93-R97 PolarHBondContact O-N 2.94Å |
| 94 | S | 86.4 | Confident | 87.6 | Confident | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.007 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -52.4 | -35.7 | 170.4 | -63.5 | 0 | 0 | 0 | 0 | 111.7 | I90 K96 R97 P98 V102 | I90-S94 PolarHBondContact O-N 2.77Å; I90-S94 PolarHBondContact O-OG 2.94Å; S94-K96 VanDerWaalsContact C-N 3.29Å; S94-K96 PolarHBondContact O-N 2.74Å; S94-R97 CarbonylContact O-C 3.49Å; S94-P98 WeakPolarHBondContact O-CA 3.41Å; S94-V102 VanDerWaalsContact OG-CG1 3.24Å; S94-V102 WeakPolarHBondContact OG-CG1 3.28Å |
| 95 | W | 83.5 | Confident | 87.3 | Confident | 90 Ų | 90 | 66.7 Ų | 66.7 | 34% | 0.341 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -51.4 | -46.9 | 171.2 | 179 | -114.3 | 0 | 0 | 0 | 113.6 | T39 L43 G91 V92 V93 | T39-W95 HydrophobicContact CG2-CZ3 4.39Å; T39-W95 WeakPolarHBondContact O-CZ3 2.99Å; L43-W95 HydrophobicContact CB-CD2 3.71Å; L43-W95 HydrophobicContact CB-CE3 3.81Å; L43-W95 HydrophobicContact CB-CG 4.12Å; L43-W95 HydrophobicContact CB-CZ3 4.35Å; L43-W95 HydrophobicContact CD1-CB 4.31Å; L43-W95 HydrophobicContact CD1-CD2 4.24Å; L43-W95 HydrophobicContact CD1-CG 3.8Å; L43-W95 HydrophobicContact CD2-CD2 4.29Å; L43-W95 HydrophobicContact CD2-CZ2 4.35Å; L43-W95 HydrophobicContact CG-CD2 4.29Å; L43-W95 HydrophobicContact CG-CG 4.35Å; G91-W95 PolarHBondContact O-N 3.36Å; V92-W95 WeakPolarHBondContact O-CB 3.28Å; V93-W95 PolarHBondContact O-N 2.94Å |
| 96 | K | 83.4 | Confident | 87 | Confident | 180 Ų | 180 | 64.8 Ų | 64.8 | 78% | 0.783 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -81.7 | -30.6 | -170.9 | -164.2 | 178.4 | -177.7 | 69.1 | 0 | 112 | V93 S94 | V93-K96 PolarHBondContact O-N 3.08Å; S94-K96 VanDerWaalsContact C-N 3.29Å; S94-K96 PolarHBondContact O-N 2.74Å |
| 97 | R | 79.3 | Confident | 86.7 | Confident | 187 Ų | 187 | 63.5 Ų | 63.5 | 71% | 0.706 | 32% | 0.319 | S | S | * | . | trans | -147.2 | 103.2 | 171.4 | -67.9 | -166.3 | 177.7 | -152.4 | -1.5 | 110.1 | V93 S94 L99 | V93-R97 PolarHBondContact O-N 2.94Å; S94-R97 CarbonylContact O-C 3.49Å; R97-L99 HydrophobicContact CB-CG 4.42Å; R97-L99 PolarHBondContact O-N 2.96Å | ||
| 98 | P | 74.3 | Confident | 86.6 | Confident | 67 Ų | 67 | 68.4 Ų | 68.4 | 44% | 0.435 | 35% | 0.345 | S | S | . | . | trans | -78.2 | 68.7 | 179.1 | 32.4 | -35.8 | 0 | 0 | 0 | 111.1 | S94 I103 | S94-P98 WeakPolarHBondContact O-CA 3.41Å; P98-I103 HydrophobicContact CB-CD1 4.17Å | ||
| 99 | L | 81.6 | Confident | 86.4 | Confident | 108 Ų | 108 | 70.1 Ų | 70.1 | 57% | 0.565 | 35% | 0.353 | S | S | * | . | trans | -74.3 | 134.6 | 169.5 | -60.6 | 175.8 | 0 | 0 | 0 | 108.8 | R97 L101 V102 I103 | R97-L99 HydrophobicContact CB-CG 4.42Å; R97-L99 PolarHBondContact O-N 2.96Å; L99-L101 VanDerWaalsContact C-N 3.27Å; L99-L101 PolarHBondContact O-N 3.37Å; L99-V102 HydrophobicContact CB-CG2 3.98Å; L99-V102 HydrophobicContact CD1-CG2 4.47Å; L99-V102 PolarHBondContact O-N 3.15Å; L99-I103 PolarHBondContact O-N 3.14Å | ||
| 100 | S | 79.3 | Confident | 86.3 | Confident | 76 Ų | 76 | 66 Ų | 66 | 53% | 0.531 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -52.8 | -43.1 | -174.8 | -172.6 | 0 | 0 | 0 | 0 | 113 | V102 I103 T104 | S100-V102 VanDerWaalsContact C-N 3.27Å; S100-V102 PolarHBondContact O-N 3.28Å; S100-I103 WeakPolarHBondContact O-CB 3.45Å; S100-I103 PolarHBondContact O-N 3.1Å; S100-I103 VanDerWaalsContact O-N 3.09Å; S100-T104 PolarHBondContact O-N 3.35Å; S100-T104 PolarHBondContact O-OG1 3.25Å |
| 101 | L | 82.8 | Confident | 86.3 | Confident | 143 Ų | 143 | 66.6 Ų | 66.6 | 75% | 0.749 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -58.8 | -31.4 | 176.3 | -62.3 | 177.5 | 0 | 0 | 0 | 114.3 | L99 T104 F105 | L99-L101 VanDerWaalsContact C-N 3.27Å; L99-L101 PolarHBondContact O-N 3.37Å; L101-T104 WeakPolarHBondContact CA-OG1 3.1Å; L101-T104 PolarHBondContact O-OG1 3.41Å; L101-F105 VanDerWaalsContact O-CB 3.23Å; L101-F105 WeakPolarHBondContact O-CB 3.41Å; L101-F105 PolarHBondContact O-N 3.27Å |
| 102 | V | 87.8 | Confident | 86.5 | Confident | 34 Ų | 34 | 70.2 Ų | 70.2 | 21% | 0.206 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -83.1 | -28.4 | 179.7 | -164.5 | 0 | 0 | 0 | 0 | 110.3 | I90 S94 L99 S100 F106 | I90-V102 HydrophobicContact CG2-CG1 3.88Å; S94-V102 VanDerWaalsContact OG-CG1 3.24Å; S94-V102 WeakPolarHBondContact OG-CG1 3.28Å; L99-V102 HydrophobicContact CB-CG2 3.98Å; L99-V102 HydrophobicContact CD1-CG2 4.47Å; L99-V102 PolarHBondContact O-N 3.15Å; S100-V102 VanDerWaalsContact C-N 3.27Å; S100-V102 PolarHBondContact O-N 3.28Å; V102-F106 WeakPolarHBondContact O-CB 3.15Å; V102-F106 PolarHBondContact O-N 3.37Å |
| 103 | I | 83.3 | Confident | 86.6 | Confident | 17 Ų | 17 | 68.1 Ų | 68.1 | 9% | 0.087 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -68.5 | -46 | 171.8 | -59.8 | 170 | 0 | 0 | 0 | 110.3 | P98 L99 S100 F106 M107 | P98-I103 HydrophobicContact CB-CD1 4.17Å; L99-I103 PolarHBondContact O-N 3.14Å; S100-I103 WeakPolarHBondContact O-CB 3.45Å; S100-I103 PolarHBondContact O-N 3.1Å; S100-I103 VanDerWaalsContact O-N 3.09Å; I103-F106 PolarHBondContact O-N 3.23Å; I103-M107 WeakPolarHBondContact O-CB 3.5Å; I103-M107 PolarHBondContact O-N 2.95Å |
| 104 | T | 86.6 | Confident | 86.9 | Confident | 43 Ų | 43 | 65.9 Ų | 65.9 | 26% | 0.264 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -67.7 | -40.6 | 176.4 | 51 | 0 | 0 | 0 | 0 | 112.2 | S100 L101 F106 M107 L108 M211 | S100-T104 PolarHBondContact O-N 3.35Å; S100-T104 PolarHBondContact O-OG1 3.25Å; L101-T104 WeakPolarHBondContact CA-OG1 3.1Å; L101-T104 PolarHBondContact O-OG1 3.41Å; T104-F106 PolarHBondContact O-N 3.25Å; T104-M107 PolarHBondContact O-N 3.47Å; T104-L108 WeakPolarHBondContact O-CG 3.31Å; T104-L108 PolarHBondContact O-N 2.97Å; T104-M211 HydrophobicContact CG2-SD 4.02Å |
| 105 | F | 88.7 | Confident | 87.2 | Confident | 109 Ų | 109 | 72 Ų | 72 | 48% | 0.478 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 173.9 | -172.7 | -127.2 | 0 | 0 | 0 | 112.5 | I90 L101 L108 L109 | I90-F105 HydrophobicContact CD1-CD1 4.02Å; I90-F105 HydrophobicContact CD1-CE1 3.58Å; I90-F105 HydrophobicContact CD1-CZ 4.5Å; I90-F105 HydrophobicContact CG2-CD1 4.28Å; L101-F105 VanDerWaalsContact O-CB 3.23Å; L101-F105 WeakPolarHBondContact O-CB 3.41Å; L101-F105 PolarHBondContact O-N 3.27Å; F105-L108 PolarHBondContact O-N 2.98Å; F105-L109 HydrophobicContact CD1-CD1 3.98Å; F105-L109 HydrophobicContact CD2-CD1 4.38Å; F105-L109 HydrophobicContact CD2-CG 4.42Å; F105-L109 HydrophobicContact CE1-CD1 3.65Å; F105-L109 HydrophobicContact CE2-CD1 4.06Å; F105-L109 HydrophobicContact CE2-CG 4.19Å; F105-L109 HydrophobicContact CG-CD1 4.34Å; F105-L109 HydrophobicContact CZ-CD1 3.69Å; F105-L109 HydrophobicContact CZ-CG 4.29Å; F105-L109 WeakPolarHBondContact O-CB 3.38Å; F105-L109 WeakPolarHBondContact O-CG 3.13Å; F105-L109 PolarHBondContact O-N 2.93Å |
| 106 | F | 89.3 | Confident | 87.7 | Confident | 3 Ų | 3 | 70.9 Ų | 70.9 | 1% | 0.013 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 173.8 | 179.9 | -134.6 | 0 | 0 | 0 | 111.9 | M42 Q49 S87 I90 V102 I103 T104 L109 S110 A203 C207 | M42-F106 HydrophobicContact SD-CE1 4.46Å; Q49-F106 VanDerWaalsContact OE1-CE2 3.32Å; S87-F106 VanDerWaalsContact O-CD2 3.31Å; S87-F106 WeakPolarHBondContact O-CD2 3.45Å; S87-F106 WeakPolarHBondContact O-CE2 3.41Å; S87-F106 WeakPolarHBondContact OG-CE2 3.13Å; I90-F106 HydrophobicContact CG2-CB 4.07Å; V102-F106 WeakPolarHBondContact O-CB 3.15Å; V102-F106 PolarHBondContact O-N 3.37Å; I103-F106 PolarHBondContact O-N 3.23Å; T104-F106 PolarHBondContact O-N 3.25Å; F106-L109 PolarHBondContact O-N 3.13Å; F106-S110 WeakPolarHBondContact O-CB 3.17Å; F106-S110 PolarHBondContact O-N 3.3Å; F106-S110 PolarHBondContact O-OG 3.04Å; F106-A203 HydrophobicContact CE1-CB 4.46Å; F106-A203 HydrophobicContact CZ-CB 3.99Å; F106-C207 WeakPolarHBondContact CD1-SG 3.47Å; F106-C207 WeakPolarHBondContact CE1-SG 3.45Å |
| 107 | M | 89.6 | Confident | 88.2 | Confident | 36 Ų | 36 | 62.3 Ų | 62.3 | 18% | 0.177 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.7 | -43.6 | 177.2 | -174.7 | -85.5 | -73.1 | 0 | 0 | 112.7 | I103 T104 S110 A111 T204 C207 M211 | I103-M107 WeakPolarHBondContact O-CB 3.5Å; I103-M107 PolarHBondContact O-N 2.95Å; T104-M107 PolarHBondContact O-N 3.47Å; M107-S110 WeakPolarHBondContact CA-OG 3.14Å; M107-S110 PolarHBondContact O-N 2.87Å; M107-S110 PolarHBondContact O-OG 3.47Å; M107-S110 VanDerWaalsContact O-OG 3.05Å; M107-A111 WeakPolarHBondContact O-CB 3.42Å; M107-A111 PolarHBondContact O-N 3.49Å; M107-T204 HydrophobicContact CG-CG2 4.3Å; M107-C207 HydrophobicContact CB-CB 3.82Å; M107-C207 HydrophobicContact CG-CB 3.99Å; M107-M211 HydrophobicContact CE-SD 4.48Å |
| 108 | L | 90.8 | Very high | 88.8 | Confident | 103 Ų | 103 | 57.7 Ų | 57.7 | 54% | 0.539 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 174.4 | -69.8 | 171.8 | 0 | 0 | 0 | 111.3 | T104 F105 A111 V112 | T104-L108 WeakPolarHBondContact O-CG 3.31Å; T104-L108 PolarHBondContact O-N 2.97Å; F105-L108 PolarHBondContact O-N 2.98Å; L108-A111 PolarHBondContact O-N 2.94Å; L108-V112 WeakPolarHBondContact O-CG2 3.39Å; L108-V112 PolarHBondContact O-N 3.46Å |
| 109 | L | 90.4 | Very high | 89.7 | Confident | 35 Ų | 35 | 56.6 Ų | 56.6 | 18% | 0.183 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.2 | -32.6 | 175.8 | -73.7 | 176.1 | 0 | 0 | 0 | 113.1 | I90 F105 F106 C113 | I90-L109 HydrophobicContact CD1-CD1 3.3Å; F105-L109 HydrophobicContact CD1-CD1 3.98Å; F105-L109 HydrophobicContact CD2-CD1 4.38Å; F105-L109 HydrophobicContact CD2-CG 4.42Å; F105-L109 HydrophobicContact CE1-CD1 3.65Å; F105-L109 HydrophobicContact CE2-CD1 4.06Å; F105-L109 HydrophobicContact CE2-CG 4.19Å; F105-L109 HydrophobicContact CG-CD1 4.34Å; F105-L109 HydrophobicContact CZ-CD1 3.69Å; F105-L109 HydrophobicContact CZ-CG 4.29Å; F105-L109 WeakPolarHBondContact O-CB 3.38Å; F105-L109 WeakPolarHBondContact O-CG 3.13Å; F105-L109 PolarHBondContact O-N 2.93Å; F106-L109 PolarHBondContact O-N 3.13Å; L109-C113 WeakPolarHBondContact O-CB 3.15Å; L109-C113 PolarHBondContact O-N 3.43Å |
| 110 | S | 91.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -75.2 | -28.8 | 175.6 | 67.2 | 0 | 0 | 0 | 0 | 112.1 | F106 M107 C113 V114 T204 | F106-S110 WeakPolarHBondContact O-CB 3.17Å; F106-S110 PolarHBondContact O-N 3.3Å; F106-S110 PolarHBondContact O-OG 3.04Å; M107-S110 WeakPolarHBondContact CA-OG 3.14Å; M107-S110 PolarHBondContact O-N 2.87Å; M107-S110 PolarHBondContact O-OG 3.47Å; M107-S110 VanDerWaalsContact O-OG 3.05Å; S110-C113 WeakPolarHBondContact O-CB 3.48Å; S110-V114 WeakPolarHBondContact O-CG2 3.17Å; S110-V114 PolarHBondContact O-N 2.87Å; S110-T204 VanDerWaalsContact CB-OG1 3.29Å; S110-T204 WeakPolarHBondContact CB-OG1 3.13Å; S110-T204 WeakPolarHBondContact OG-CA 3.37Å; S110-T204 PolarHBondContact OG-OG1 3.06Å |
| 111 | A | 92.8 | Very high | 90.8 | Very high | 41 Ų | 41 | 48.4 Ų | 48.4 | 34% | 0.339 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.6 | -46.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | M107 L108 C113 V114 M115 | M107-A111 WeakPolarHBondContact O-CB 3.42Å; M107-A111 PolarHBondContact O-N 3.49Å; L108-A111 PolarHBondContact O-N 2.94Å; A111-C113 VanDerWaalsContact C-N 3.3Å; A111-C113 PolarHBondContact O-N 2.84Å; A111-V114 PolarHBondContact O-N 3.24Å; A111-M115 PolarHBondContact O-N 3.48Å |
| 112 | V | 94.6 | Very high | 91.2 | Very high | 75 Ų | 75 | 45.8 Ų | 45.8 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.6 | -38 | 173.5 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | L108 V114 M115 L116 | L108-V112 WeakPolarHBondContact O-CG2 3.39Å; L108-V112 PolarHBondContact O-N 3.46Å; V112-V114 PolarHBondContact O-N 2.94Å; V112-M115 PolarHBondContact O-N 3.09Å; V112-L116 HydrophobicContact CG1-CD1 3.8Å; V112-L116 HydrophobicContact CG1-CG 4.22Å; V112-L116 WeakPolarHBondContact O-CB 3.44Å; V112-L116 WeakPolarHBondContact O-CG 3.17Å; V112-L116 PolarHBondContact O-N 3.4Å |
| 113 | C | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -55.5 | -50.4 | 171.5 | 171.1 | 0 | 0 | 0 | 0 | 111.5 | V84 L109 S110 A111 M115 L116 N117 C200 | V84-C113 WeakPolarHBondContact CG2-SG 3.31Å; L109-C113 WeakPolarHBondContact O-CB 3.15Å; L109-C113 PolarHBondContact O-N 3.43Å; S110-C113 WeakPolarHBondContact O-CB 3.48Å; A111-C113 VanDerWaalsContact C-N 3.3Å; A111-C113 PolarHBondContact O-N 2.84Å; C113-M115 VanDerWaalsContact C-N 3.32Å; C113-M115 PolarHBondContact O-N 3.28Å; C113-L116 PolarHBondContact O-N 3.41Å; C113-N117 WeakPolarHBondContact O-CB 3.41Å; C113-N117 PolarHBondContact O-N 2.98Å; C113-N117 PolarHBondContact O-ND2 2.79Å; C113-N117 PolarHBondContact SG-ND2 3Å; C113-C200 HydrophobicContact CB-CB 3.82Å; C113-C200 WeakPolarHBondContact CB-SG 3.06Å; C113-C200 WeakPolarHBondContact SG-CB 3.22Å; C113-C200 CovalentContact SG-SG 2.04Å; C113-C200 PolarHBondContact SG-SG 2.8Å |
| 114 | V | 95.4 | Very high | 91.4 | Very high | 36 Ų | 36 | 46.3 Ų | 46.3 | 22% | 0.218 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56 | -46.8 | 177.9 | 163.9 | 0 | 0 | 0 | 0 | 111 | S110 A111 V112 N117 L118 T197 C200 A201 | S110-V114 WeakPolarHBondContact O-CG2 3.17Å; S110-V114 PolarHBondContact O-N 2.87Å; A111-V114 PolarHBondContact O-N 3.24Å; V112-V114 PolarHBondContact O-N 2.94Å; V114-N117 PolarHBondContact O-N 2.89Å; V114-L118 VanDerWaalsContact O-CB 3.32Å; V114-L118 WeakPolarHBondContact O-CB 3.4Å; V114-L118 PolarHBondContact O-N 3.01Å; V114-T197 HydrophobicContact CG1-CG2 4.06Å; V114-T197 HydrophobicContact CG2-CG2 4.48Å; V114-C200 HydrophobicContact CG2-CB 3.86Å; V114-A201 HydrophobicContact CG2-CB 4.07Å |
| 115 | M | 93.4 | Very high | 91.4 | Very high | 130 Ų | 130 | 46.9 Ų | 46.9 | 64% | 0.64 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -63.1 | -44.4 | 178.7 | -65.2 | -62.4 | -72.3 | 0 | 0 | 112.6 | A111 V112 C113 L118 A119 | A111-M115 PolarHBondContact O-N 3.48Å; V112-M115 PolarHBondContact O-N 3.09Å; C113-M115 VanDerWaalsContact C-N 3.32Å; C113-M115 PolarHBondContact O-N 3.28Å; M115-L118 PolarHBondContact O-N 3.36Å; M115-A119 WeakPolarHBondContact O-CB 3.23Å; M115-A119 PolarHBondContact O-N 3.25Å |
| 116 | L | 93.4 | Very high | 91.4 | Very high | 66 Ų | 66 | 46.9 Ų | 46.9 | 35% | 0.346 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -69.9 | -34.6 | 179.6 | -71 | 175.3 | 0 | 0 | 0 | 113 | A80 V112 C113 G120 | A80-L116 HydrophobicContact CB-CB 4.09Å; V112-L116 HydrophobicContact CG1-CD1 3.8Å; V112-L116 HydrophobicContact CG1-CG 4.22Å; V112-L116 WeakPolarHBondContact O-CB 3.44Å; V112-L116 WeakPolarHBondContact O-CG 3.17Å; V112-L116 PolarHBondContact O-N 3.4Å; C113-L116 PolarHBondContact O-N 3.41Å; L116-G120 PolarHBondContact O-N 3.19Å |
| 117 | N | 93.9 | Very high | 91 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -76.9 | -31.8 | 176.3 | -75.1 | -100.3 | 0 | 0 | 0 | 111.8 | V84 C113 V114 G120 S121 S196 T197 | V84-N117 WeakPolarHBondContact CG2-ND2 3.49Å; C113-N117 WeakPolarHBondContact O-CB 3.41Å; C113-N117 PolarHBondContact O-N 2.98Å; C113-N117 PolarHBondContact O-ND2 2.79Å; C113-N117 PolarHBondContact SG-ND2 3Å; V114-N117 PolarHBondContact O-N 2.89Å; N117-G120 PolarHBondContact O-N 3.36Å; N117-S121 WeakPolarHBondContact O-CB 3.49Å; N117-S121 PolarHBondContact O-N 3.25Å; N117-S121 PolarHBondContact O-OG 3.19Å; N117-S196 WeakPolarHBondContact OD1-CB 3.46Å; N117-S196 PolarHBondContact OD1-OG 3.04Å; N117-T197 WeakPolarHBondContact CB-OG1 3.44Å |
| 118 | L | 92.9 | Very high | 90.7 | Very high | 89 Ų | 89 | 46.9 Ų | 46.9 | 47% | 0.466 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.1 | -50.6 | 169.7 | -179.7 | 61 | 0 | 0 | 0 | 110.8 | V114 M115 G120 S121 I122 | V114-L118 VanDerWaalsContact O-CB 3.32Å; V114-L118 WeakPolarHBondContact O-CB 3.4Å; V114-L118 PolarHBondContact O-N 3.01Å; M115-L118 PolarHBondContact O-N 3.36Å; L118-G120 VanDerWaalsContact C-N 3.35Å; L118-G120 PolarHBondContact O-N 2.98Å; L118-S121 WeakPolarHBondContact O-CB 3.29Å; L118-S121 PolarHBondContact O-N 2.86Å; L118-I122 HydrophobicContact CD1-CD1 4.33Å; L118-I122 HydrophobicContact CG-CD1 4.2Å; L118-I122 WeakPolarHBondContact O-CG1 3.49Å; L118-I122 PolarHBondContact O-N 3.47Å |
| 119 | A | 93.6 | Very high | 90.3 | Very high | 44 Ų | 44 | 48.8 Ų | 48.8 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.2 | -44.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | M115 S121 I122 L123 | M115-A119 WeakPolarHBondContact O-CB 3.23Å; M115-A119 PolarHBondContact O-N 3.25Å; A119-S121 VanDerWaalsContact C-N 3.32Å; A119-S121 PolarHBondContact O-N 3.15Å; A119-I122 PolarHBondContact O-N 2.87Å; A119-L123 WeakPolarHBondContact O-CB 3.44Å; A119-L123 WeakPolarHBondContact O-CG 3.36Å; A119-L123 PolarHBondContact O-N 3.2Å |
| 120 | G | 91.3 | Very high | 89.6 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.9 | -33.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L116 N117 L118 S124 N193 | L116-G120 PolarHBondContact O-N 3.19Å; N117-G120 PolarHBondContact O-N 3.36Å; L118-G120 VanDerWaalsContact C-N 3.35Å; L118-G120 PolarHBondContact O-N 2.98Å; G120-S124 VanDerWaalsContact O-CB 3.23Å; G120-S124 WeakPolarHBondContact O-CB 3.44Å; G120-S124 PolarHBondContact O-N 2.98Å; G120-S124 PolarHBondContact O-OG 3.31Å; G120-N193 VanDerWaalsContact C-ND2 3.29Å; G120-N193 PolarHBondContact O-ND2 2.92Å |
| 121 | S | 90.9 | Very high | 88.9 | Confident | 10 Ų | 10 | 50.7 Ų | 50.7 | 7% | 0.07 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.9 | -49.6 | 172.8 | -57.6 | 0 | 0 | 0 | 0 | 110.7 | N117 L118 A119 L123 S124 C125 C190 N193 | N117-S121 WeakPolarHBondContact O-CB 3.49Å; N117-S121 PolarHBondContact O-N 3.25Å; N117-S121 PolarHBondContact O-OG 3.19Å; L118-S121 WeakPolarHBondContact O-CB 3.29Å; L118-S121 PolarHBondContact O-N 2.86Å; A119-S121 VanDerWaalsContact C-N 3.32Å; A119-S121 PolarHBondContact O-N 3.15Å; S121-L123 PolarHBondContact O-N 3.49Å; S121-S124 PolarHBondContact O-N 3.35Å; S121-C125 WeakPolarHBondContact O-CB 3.47Å; S121-C125 PolarHBondContact O-N 3.4Å; S121-C190 PolarHBondContact O-SG 2.97Å; S121-N193 WeakPolarHBondContact OG-CB 3.41Å |
| 122 | I | 91.5 | Very high | 88.2 | Confident | 88 Ų | 88 | 52.7 Ų | 52.7 | 45% | 0.451 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.6 | -50.5 | 178.3 | -65.7 | 162.6 | 0 | 0 | 0 | 110.3 | L118 A119 S124 C125 Q126 | L118-I122 HydrophobicContact CD1-CD1 4.33Å; L118-I122 HydrophobicContact CG-CD1 4.2Å; L118-I122 WeakPolarHBondContact O-CG1 3.49Å; L118-I122 PolarHBondContact O-N 3.47Å; A119-I122 PolarHBondContact O-N 2.87Å; I122-S124 PolarHBondContact O-N 3.37Å; I122-C125 PolarHBondContact O-N 2.78Å; I122-Q126 HydrophobicContact CG2-CG 4.49Å; I122-Q126 WeakPolarHBondContact O-CB 3.37Å; I122-Q126 VanDerWaalsContact O-CG 3.28Å; I122-Q126 WeakPolarHBondContact O-CG 3.34Å; I122-Q126 PolarHBondContact O-N 3.24Å |
| 123 | L | 88.4 | Confident | 87.2 | Confident | 60 Ų | 60 | 51 Ų | 51 | 31% | 0.314 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -58.9 | -44.3 | 176.3 | -74.4 | 164.3 | 0 | 0 | 0 | 112.3 | A119 S121 N127 | A119-L123 WeakPolarHBondContact O-CB 3.44Å; A119-L123 WeakPolarHBondContact O-CG 3.36Å; A119-L123 PolarHBondContact O-N 3.2Å; S121-L123 PolarHBondContact O-N 3.49Å; L123-N127 WeakPolarHBondContact O-CB 3.28Å; L123-N127 PolarHBondContact O-N 3.21Å; L123-N127 PolarHBondContact O-ND2 2.05Å |
| 124 | S | 87.6 | Confident | 86.1 | Confident | 2 Ų | 2 | 51.1 Ų | 51.1 | 1% | 0.014 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.5 | -41.8 | -178.1 | -58.4 | 0 | 0 | 0 | 0 | 112 | G120 S121 I122 N127 A128 V189 | G120-S124 VanDerWaalsContact O-CB 3.23Å; G120-S124 WeakPolarHBondContact O-CB 3.44Å; G120-S124 PolarHBondContact O-N 2.98Å; G120-S124 PolarHBondContact O-OG 3.31Å; S121-S124 PolarHBondContact O-N 3.35Å; I122-S124 PolarHBondContact O-N 3.37Å; S124-N127 PolarHBondContact O-N 2.73Å; S124-A128 WeakPolarHBondContact O-CB 3.49Å; S124-A128 PolarHBondContact O-N 2.64Å; S124-V189 WeakPolarHBondContact OG-CG1 3.32Å |
| 125 | C | 86.7 | Confident | 84.7 | Confident | 54 Ų | 54 | 54.5 Ų | 54.5 | 37% | 0.365 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -73.7 | -31 | 178.1 | -84.8 | 0 | 0 | 0 | 0 | 112.8 | S121 I122 A128 Q129 C190 | S121-C125 WeakPolarHBondContact O-CB 3.47Å; S121-C125 PolarHBondContact O-N 3.4Å; I122-C125 PolarHBondContact O-N 2.78Å; C125-A128 PolarHBondContact O-N 3.21Å; C125-Q129 WeakPolarHBondContact O-CG 3.36Å; C125-Q129 PolarHBondContact O-N 3.42Å; C125-C190 HydrophobicContact CB-CB 4.27Å; C125-C190 WeakPolarHBondContact CB-SG 3.23Å; C125-C190 WeakPolarHBondContact SG-CB 3.46Å; C125-C190 CovalentContact SG-SG 2.05Å; C125-C190 PolarHBondContact SG-SG 3.04Å |
| 126 | Q | 87.6 | Confident | 83.1 | Confident | 109 Ų | 109 | 56.1 Ų | 56.1 | 51% | 0.509 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.3 | -47.6 | 166.9 | -77.7 | 174.2 | -15.1 | 0 | 0 | 111.5 | I122 A128 Q129 L130 | I122-Q126 HydrophobicContact CG2-CG 4.49Å; I122-Q126 WeakPolarHBondContact O-CB 3.37Å; I122-Q126 VanDerWaalsContact O-CG 3.28Å; I122-Q126 WeakPolarHBondContact O-CG 3.34Å; I122-Q126 PolarHBondContact O-N 3.24Å; Q126-A128 VanDerWaalsContact C-N 3.29Å; Q126-A128 PolarHBondContact O-N 3.45Å; Q126-Q129 WeakPolarHBondContact O-CB 3.39Å; Q126-Q129 PolarHBondContact O-N 3.19Å; Q126-Q129 VanDerWaalsContact O-N 3.16Å; Q126-L130 PolarHBondContact O-N 2.81Å |
| 127 | N | 81.9 | Confident | 82.1 | Confident | 22 Ų | 22 | 53.8 Ų | 53.8 | 12% | 0.118 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64 | -33.8 | 176.1 | -78 | -68.5 | 0 | 0 | 0 | 112.2 | L123 S124 L130 V131 L186 | L123-N127 WeakPolarHBondContact O-CB 3.28Å; L123-N127 PolarHBondContact O-N 3.21Å; L123-N127 PolarHBondContact O-ND2 2.05Å; S124-N127 PolarHBondContact O-N 2.73Å; N127-L130 PolarHBondContact O-N 3.18Å; N127-V131 WeakPolarHBondContact O-CG2 3.44Å; N127-V131 PolarHBondContact O-N 2.89Å; N127-L186 HydrophobicContact CB-CD1 4.12Å; N127-L186 HydrophobicContact CB-CD2 4.1Å |
| 128 | A | 82.3 | Confident | 80.9 | Confident | 17 Ų | 17 | 61.5 Ų | 61.5 | 14% | 0.14 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67.1 | -33.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | S124 C125 Q126 N132 L186 | S124-A128 WeakPolarHBondContact O-CB 3.49Å; S124-A128 PolarHBondContact O-N 2.64Å; C125-A128 PolarHBondContact O-N 3.21Å; Q126-A128 VanDerWaalsContact C-N 3.29Å; Q126-A128 PolarHBondContact O-N 3.45Å; A128-N132 WeakPolarHBondContact O-CB 3.24Å; A128-N132 PolarHBondContact O-N 2.88Å; A128-L186 HydrophobicContact CB-CB 4.16Å |
| 129 | Q | 82.4 | Confident | 79.9 | Confident | 144 Ų | 144 | 61.7 Ų | 61.7 | 67% | 0.673 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -68.2 | -43.4 | 171.3 | -74.2 | 178.6 | -16 | 0 | 0 | 111.6 | C125 Q126 N132 S133 | C125-Q129 WeakPolarHBondContact O-CG 3.36Å; C125-Q129 PolarHBondContact O-N 3.42Å; Q126-Q129 WeakPolarHBondContact O-CB 3.39Å; Q126-Q129 PolarHBondContact O-N 3.19Å; Q126-Q129 VanDerWaalsContact O-N 3.16Å; Q129-N132 CarbonylContact O-C 3.57Å; Q129-N132 WeakPolarHBondContact O-CA 3.46Å; Q129-N132 VanDerWaalsContact O-CB 3.29Å; Q129-N132 WeakPolarHBondContact O-CB 3.38Å; Q129-N132 PolarHBondContact O-N 3.44Å; Q129-S133 PolarHBondContact O-N 3.04Å; Q129-S133 VanDerWaalsContact O-N 3.09Å |
| 130 | L | 76.2 | Confident | 78.7 | Confident | 70 Ų | 70 | 61.7 Ų | 61.7 | 37% | 0.366 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.6 | -45.3 | 175.1 | -177.2 | 67.2 | 0 | 0 | 0 | 112.2 | Q126 N127 N132 S133 L134 | Q126-L130 PolarHBondContact O-N 2.81Å; N127-L130 PolarHBondContact O-N 3.18Å; L130-N132 PolarHBondContact O-N 3.4Å; L130-N132 VanDerWaalsContact O-N 3.12Å; L130-S133 PolarHBondContact O-N 3.06Å; L130-S133 VanDerWaalsContact O-N 3.13Å; L130-S133 PolarHBondContact O-OG 3.16Å; L130-L134 HydrophobicContact CG-CD1 4.48Å; L130-L134 VanDerWaalsContact O-CG 3.31Å; L130-L134 WeakPolarHBondContact O-CG 3.4Å; L130-L134 PolarHBondContact O-N 2.91Å |
| 131 | V | 76.3 | Confident | 77.3 | Confident | 5 Ų | 5 | 66.8 Ų | 66.8 | 3% | 0.03 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.5 | -14.2 | 175.5 | 176.4 | 0 | 0 | 0 | 0 | 112.4 | N127 L167 R179 L182 K183 L186 | N127-V131 WeakPolarHBondContact O-CG2 3.44Å; N127-V131 PolarHBondContact O-N 2.89Å; V131-L167 HydrophobicContact CG2-CD2 4.16Å; V131-R179 HydrophobicContact CG1-CG 3.96Å; V131-L182 HydrophobicContact CG2-CD2 4.19Å; V131-L182 HydrophobicContact CG2-CG 4.5Å; V131-K183 HydrophobicContact CG1-CB 3.92Å; V131-L186 HydrophobicContact CB-CD1 4.28Å; V131-L186 HydrophobicContact CG2-CD1 3.66Å |
| 132 | N | 78.8 | Confident | 75.6 | Confident | 83 Ų | 83 | 72.6 Ų | 72.6 | 44% | 0.444 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -88.2 | -26.5 | 172.2 | -161.6 | 88.7 | 0 | 0 | 0 | 114.1 | A128 Q129 L130 K183 | A128-N132 WeakPolarHBondContact O-CB 3.24Å; A128-N132 PolarHBondContact O-N 2.88Å; Q129-N132 CarbonylContact O-C 3.57Å; Q129-N132 WeakPolarHBondContact O-CA 3.46Å; Q129-N132 VanDerWaalsContact O-CB 3.29Å; Q129-N132 WeakPolarHBondContact O-CB 3.38Å; Q129-N132 PolarHBondContact O-N 3.44Å; L130-N132 PolarHBondContact O-N 3.4Å; L130-N132 VanDerWaalsContact O-N 3.12Å; N132-K183 WeakPolarHBondContact OD1-CE 3.43Å; N132-K183 PolarHBondContact OD1-NZ 3.34Å |
| 133 | S | 73.7 | Confident | 73.6 | Confident | 38 Ų | 38 | 75.6 Ų | 75.6 | 27% | 0.266 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -81.3 | -24.1 | 173.5 | 59.7 | 0 | 0 | 0 | 0 | 113.2 | Q129 L130 E135 E152 | Q129-S133 PolarHBondContact O-N 3.04Å; Q129-S133 VanDerWaalsContact O-N 3.09Å; L130-S133 PolarHBondContact O-N 3.06Å; L130-S133 VanDerWaalsContact O-N 3.13Å; L130-S133 PolarHBondContact O-OG 3.16Å; S133-E135 VanDerWaalsContact C-N 3.28Å; S133-E135 PolarHBondContact O-N 2.92Å; S133-E152 VanDerWaalsContact CB-OE2 3.26Å; S133-E152 WeakPolarHBondContact CB-OE2 3.26Å; S133-E152 PolarHBondContact OG-OE2 2.96Å |
| 134 | L | 71 | Confident | 72 | Confident | 3 Ų | 3 | 80.7 Ų | 80.7 | 2% | 0.016 | 42% | 0.418 | C | S | . | . | trans | -72.4 | 72.8 | 171.5 | -64.6 | 174 | 0 | 0 | 0 | 111.2 | L130 C150 E152 L167 R179 | L130-L134 HydrophobicContact CG-CD1 4.48Å; L130-L134 VanDerWaalsContact O-CG 3.31Å; L130-L134 WeakPolarHBondContact O-CG 3.4Å; L130-L134 PolarHBondContact O-N 2.91Å; L134-C150 HydrophobicContact CB-CB 4.18Å; L134-C150 HydrophobicContact CD1-CB 4.24Å; L134-C150 HydrophobicContact CD2-CB 4.35Å; L134-E152 HydrophobicContact CD2-CB 4.36Å; L134-L167 HydrophobicContact CD1-CB 3.7Å; L134-L167 HydrophobicContact CD1-CD2 3.7Å; L134-L167 HydrophobicContact CD1-CG 4.18Å; L134-R179 WeakPolarHBondContact O-CD 3.05Å; L134-R179 PolarHBondContact O-NE 2.93Å; L134-R179 VanDerWaalsContact O-NE 3.15Å; L134-R179 PolarHBondContact O-NH1 3.41Å | ||
| 135 | E | 64.1 | Low | 70.6 | Confident | 108 Ų | 108 | 86.8 Ų | 86.8 | 51% | 0.505 | 45% | 0.45 | S | S | . | . | trans | -76.3 | -28.8 | -174.2 | -165 | 154.2 | -110.1 | 0 | 0 | 114 | S133 Q153 R179 | S133-E135 VanDerWaalsContact C-N 3.28Å; S133-E135 PolarHBondContact O-N 2.92Å; E135-Q153 PolarHBondContact OE2-NE2 3.15Å; E135-R179 PolarHBondContact O-NH2 2.93Å | ||
| 136 | E | 61.6 | Low | 69.7 | Low | 164 Ų | 164 | 84.8 Ų | 84.8 | 77% | 0.766 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 124.9 | -173.2 | -161.7 | 162.7 | -153.2 | 0 | 0 | 112 | C151 | E136-C151 PolarHBondContact O-N 2.99Å |
| 137 | C | 71.8 | Confident | 69 | Low | 17 Ų | 17 | 81.5 Ų | 81.5 | 12% | 0.115 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 127.1 | -178.3 | -59.9 | 0 | 0 | 0 | 0 | 111.1 | V149 C150 C175 | C137-V149 CarbonylContact C-O 3.53Å; C137-V149 WeakPolarHBondContact CA-O 3.43Å; C137-C150 HydrophobicContact CB-CB 4.07Å; C137-C150 WeakPolarHBondContact CB-SG 2.93Å; C137-C150 WeakPolarHBondContact SG-CB 3.5Å; C137-C150 CovalentContact SG-SG 2.04Å; C137-C150 PolarHBondContact SG-SG 3.3Å; C137-C175 HydrophobicContact CB-CB 3.9Å |
| 138 | K | 69.4 | Low | 68.8 | Low | 161 Ų | 161 | 80.4 Ų | 80.4 | 70% | 0.7 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 133.7 | 177.7 | -167.1 | 168.1 | -176.1 | 173.8 | 0 | 110.6 | V149 | K138-V149 PolarHBondContact N-O 2.84Å; K138-V149 PolarHBondContact O-N 2.86Å |
| 139 | L | 70.3 | Confident | 68.5 | Low | 93 Ų | 93 | 80.2 Ų | 80.2 | 49% | 0.487 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 125.2 | 166 | -170.5 | 73.5 | 0 | 0 | 0 | 108.3 | P141 G146 P171 | L139-P141 WeakPolarHBondContact O-CD 3.24Å; L139-G146 WeakPolarHBondContact CD1-O 3.39Å; L139-P171 HydrophobicContact CD1-CB 4.49Å |
| 140 | V | 69.7 | Low | 68.2 | Low | 45 Ų | 45 | 73.4 Ų | 73.4 | 27% | 0.273 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 103 | 174.1 | -174.5 | 0 | 0 | 0 | 0 | 108.4 | F142 G146 V147 V149 | V140-F142 HydrophobicContact CB-CD2 4.4Å; V140-F142 HydrophobicContact CB-CE2 4.08Å; V140-F142 HydrophobicContact CG1-CD2 3.88Å; V140-F142 HydrophobicContact CG1-CE2 3.38Å; V140-F142 HydrophobicContact CG1-CZ 3.93Å; V140-F142 PolarHBondContact O-N 2.96Å; V140-G146 CarbonylContact O-C 3.59Å; V140-G146 WeakPolarHBondContact O-CA 3.42Å; V140-V147 PolarHBondContact N-O 2.95Å; V140-V147 PolarHBondContact O-N 3.23Å; V140-V147 VanDerWaalsContact O-N 3.1Å; V140-V149 HydrophobicContact CB-CG2 4.2Å; V140-V149 HydrophobicContact CG2-CB 4.04Å; V140-V149 HydrophobicContact CG2-CG2 3.61Å |
| 141 | P | 60.8 | Low | 68 | Low | 109 Ų | 109 | 71.5 Ų | 71.5 | 71% | 0.708 | 38% | 0.378 | S | S | * | . | trans | -71.3 | 95.4 | 178.2 | 29.4 | -33.6 | 0 | 0 | 0 | 110.2 | L139 | L139-P141 WeakPolarHBondContact O-CD 3.24Š| ||
| 142 | F | 55.3 | Low | 67.5 | Low | 133 Ų | 133 | 75 Ų | 75 | 58% | 0.583 | 39% | 0.394 | S | S | * | . | trans | -86.2 | 151 | 149.8 | -63.1 | -81.7 | 0 | 0 | 0 | 107.8 | V140 N144 D145 | V140-F142 HydrophobicContact CB-CD2 4.4Å; V140-F142 HydrophobicContact CB-CE2 4.08Å; V140-F142 HydrophobicContact CG1-CD2 3.88Å; V140-F142 HydrophobicContact CG1-CE2 3.38Å; V140-F142 HydrophobicContact CG1-CZ 3.93Å; V140-F142 PolarHBondContact O-N 2.96Å; F142-N144 PolarHBondContact O-N 3.45Å; F142-N144 VanDerWaalsContact O-N 3.09Å; F142-D145 PolarHBondContact O-N 3.44Å | ||
| 143 | D | 50.5 | Low | 66.5 | Low | 150 Ų | 150 | 77.5 Ų | 77.5 | 80% | 0.802 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -37.7 | 108.5 | -167.5 | -71.1 | -96.7 | 0 | 0 | 0 | 115.6 | D145 | D143-D145 PolarHBondContact O-N 2.91Š|
| 144 | N | 53.6 | Low | 65.1 | Low | 167 Ų | 167 | 83.4 Ų | 83.4 | 89% | 0.893 | 43% | 0.426 | S | S | * | . | S | Bend | trans | 60.9 | -35.6 | 178.6 | -59.4 | -81.2 | 0 | 0 | 0 | 116.9 | F142 G146 | F142-N144 PolarHBondContact O-N 3.45Å; F142-N144 VanDerWaalsContact O-N 3.09Å; N144-G146 PolarHBondContact O-N 2.98Å |
| 145 | D | 59.8 | Low | 63.6 | Low | 131 Ų | 131 | 92.8 Ų | 92.8 | 70% | 0.701 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -99.6 | 60.7 | 178.5 | -71.8 | -47.1 | 0 | 0 | 0 | 111.9 | F142 D143 V147 | F142-D145 PolarHBondContact O-N 3.44Å; D143-D145 PolarHBondContact O-N 2.91Å; D145-V147 PolarHBondContact O-N 3.27Å |
| 146 | G | 66.3 | Low | 62.5 | Low | 11 Ų | 11 | 96.9 Ų | 96.9 | 11% | 0.113 | 49% | 0.486 | C | S | . | . | trans | -64 | 103.6 | -171 | 0 | 0 | 0 | 0 | 0 | 114.8 | L139 V140 N144 P171 | L139-G146 WeakPolarHBondContact CD1-O 3.39Å; V140-G146 CarbonylContact O-C 3.59Å; V140-G146 WeakPolarHBondContact O-CA 3.42Å; N144-G146 PolarHBondContact O-N 2.98Å; G146-P171 WeakPolarHBondContact O-CB 3.44Å; G146-P171 VanDerWaalsContact O-CG 3.27Å; G146-P171 WeakPolarHBondContact O-CG 3.39Å | ||
| 147 | V | 73.1 | Confident | 61.5 | Low | 40 Ų | 40 | 94.5 Ų | 94.5 | 24% | 0.242 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 134.1 | -174.4 | 179.1 | 0 | 0 | 0 | 0 | 112.6 | V140 D145 V149 K168 | V140-V147 PolarHBondContact N-O 2.95Å; V140-V147 PolarHBondContact O-N 3.23Å; V140-V147 VanDerWaalsContact O-N 3.1Å; D145-V147 PolarHBondContact O-N 3.27Å; V147-V149 HydrophobicContact CG1-CG2 4.44Å; V147-K168 HydrophobicContact CG1-CB 4.13Å; V147-K168 HydrophobicContact CG1-CD 4.47Å; V147-K168 HydrophobicContact CG1-CG 4.24Å |
| 148 | C | 77.4 | Confident | 60.3 | Low | 0 Ų | 0 | 99.5 Ų | 99.5 | 0% | 0 | 52% | 0.518 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 128.6 | 171 | -79.7 | 0 | 0 | 0 | 0 | 111.2 | L169 C175 | C148-L169 HydrophobicContact CB-CB 3.82Å; C148-L169 PolarHBondContact N-O 3.1Å; C148-L169 PolarHBondContact O-N 3.36Å; C148-C175 VanDerWaalsContact CA-SG 3.53Å; C148-C175 HydrophobicContact CB-CB 3.7Å; C148-C175 WeakPolarHBondContact CB-SG 3.48Å; C148-C175 WeakPolarHBondContact SG-CA 3.24Å; C148-C175 WeakPolarHBondContact SG-CB 3.41Å; C148-C175 CovalentContact SG-SG 2.04Å; C148-C175 PolarHBondContact SG-SG 3.09Å |
| 149 | V | 76.9 | Confident | 59.5 | Low | 12 Ų | 12 | 94.3 Ų | 94.3 | 7% | 0.073 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 118.9 | -175.6 | 178.4 | 0 | 0 | 0 | 0 | 110.1 | C137 K138 V140 V147 M166 | C137-V149 CarbonylContact C-O 3.53Å; C137-V149 WeakPolarHBondContact CA-O 3.43Å; K138-V149 PolarHBondContact N-O 2.84Å; K138-V149 PolarHBondContact O-N 2.86Å; V140-V149 HydrophobicContact CB-CG2 4.2Å; V140-V149 HydrophobicContact CG2-CB 4.04Å; V140-V149 HydrophobicContact CG2-CG2 3.61Å; V147-V149 HydrophobicContact CG1-CG2 4.44Å; V149-M166 HydrophobicContact CB-CE 4.24Å; V149-M166 HydrophobicContact CG1-CE 3.51Å; V149-M166 HydrophobicContact CG1-CG 3.71Å; V149-M166 HydrophobicContact CG1-SD 4.5Å; V149-M166 HydrophobicContact CG2-CE 3.61Å |
| 150 | C | 76.1 | Confident | 58.8 | Low | 1 Ų | 1 | 92.5 Ų | 92.5 | 1% | 0.007 | 50% | 0.504 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 143 | 172.2 | -52.8 | 0 | 0 | 0 | 0 | 110.6 | L134 C137 L167 | L134-C150 HydrophobicContact CB-CB 4.18Å; L134-C150 HydrophobicContact CD1-CB 4.24Å; L134-C150 HydrophobicContact CD2-CB 4.35Å; C137-C150 HydrophobicContact CB-CB 4.07Å; C137-C150 WeakPolarHBondContact CB-SG 2.93Å; C137-C150 WeakPolarHBondContact SG-CB 3.5Å; C137-C150 CovalentContact SG-SG 2.04Å; C137-C150 PolarHBondContact SG-SG 3.3Å; C150-L167 HydrophobicContact CB-CB 4.41Å; C150-L167 PolarHBondContact N-O 3.08Å; C150-L167 VanDerWaalsContact N-O 3.15Å; C150-L167 PolarHBondContact O-N 2.93Å; C150-L167 VanDerWaalsContact O-N 3.08Å |
| 151 | C | 70.9 | Confident | 58 | Low | 31 Ų | 31 | 96.5 Ų | 96.5 | 21% | 0.209 | 52% | 0.524 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 155.8 | 179.7 | -60.6 | 0 | 0 | 0 | 0 | 110.8 | E136 C160 | E136-C151 PolarHBondContact O-N 2.99Å; C151-C160 HydrophobicContact CB-CB 4.08Å; C151-C160 WeakPolarHBondContact CB-SG 3.37Å; C151-C160 WeakPolarHBondContact SG-CB 3.47Å; C151-C160 CovalentContact SG-SG 2.04Å; C151-C160 PolarHBondContact SG-SG 2.93Å |
| 152 | E | 67.3 | Low | 57.6 | Low | 79 Ų | 79 | 95.9 Ų | 95.9 | 37% | 0.369 | 52% | 0.515 | S | S | . | . | trans | -77.5 | 152.9 | -178.4 | -171.1 | 156.3 | 120.4 | 0 | 0 | 111.1 | S133 L134 Q154 | S133-E152 VanDerWaalsContact CB-OE2 3.26Å; S133-E152 WeakPolarHBondContact CB-OE2 3.26Å; S133-E152 PolarHBondContact OG-OE2 2.96Å; L134-E152 HydrophobicContact CD2-CB 4.36Å; E152-Q154 PolarHBondContact O-N 3Å | ||
| 153 | Q | 56.2 | Low | 57.5 | Low | 135 Ų | 135 | 98.4 Ų | 98.4 | 63% | 0.631 | 53% | 0.528 | S | S | * | . | trans | -72.7 | 19.7 | -167 | -153.7 | 171.3 | 40.2 | 0 | 0 | 115.1 | E135 K155 | E135-Q153 PolarHBondContact OE2-NE2 3.15Å; Q153-K155 PolarHBondContact O-N 3.48Å | ||
| 154 | Q | 44.4 | Very low | 57.5 | Low | 162 Ų | 162 | 93.9 Ų | 93.9 | 76% | 0.757 | 51% | 0.512 | S | S | * | . | trans | -83.2 | 77.9 | -172.3 | -170.8 | 152.9 | -47.6 | 0 | 0 | 113.8 | E152 | E152-Q154 PolarHBondContact O-N 3Š| ||
| 155 | K | 39.6 | Very low | 57.7 | Low | 199 Ų | 199 | 89.7 Ų | 89.7 | 87% | 0.865 | 49% | 0.487 | S | S | * | . | trans | 70.8 | 146.9 | 167.6 | -74.3 | -177.2 | 172.5 | 179.4 | 0 | 117.9 | Q153 | Q153-K155 PolarHBondContact O-N 3.48Š| ||
| 156 | Q | 40.8 | Very low | 57.8 | Low | 194 Ų | 194 | 85.5 Ų | 85.5 | 91% | 0.907 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -63.2 | 153.1 | 179.6 | -65.4 | 166 | -29 | 0 | 0 | 113.3 | ||
| 157 | S | 42.5 | Very low | 57.8 | Low | 115 Ų | 115 | 85.5 Ų | 85.5 | 80% | 0.804 | 46% | 0.461 | S | S | * | . | S | Bend | trans | 70.6 | 54.9 | 155.6 | -165.1 | 0 | 0 | 0 | 0 | 118.3 | ||
| 158 | T | 46 | Very low | 57.7 | Low | 122 Ų | 122 | 88.3 Ų | 88.3 | 75% | 0.748 | 47% | 0.47 | S | S | * | . | S | Bend | -157.8 | 158.8 | 129.6 | -75 | 0 | 0 | 0 | 0 | 108.1 | |||
| 159 | G | 52 | Low | 57.4 | Low | 52 Ų | 52 | 88.3 Ų | 88.3 | 54% | 0.536 | 47% | 0.47 | S | S | . | . | trans | -57.2 | 154.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | N161 | G159-N161 VanDerWaalsContact O-CG 3.32Å; G159-N161 PolarHBondContact O-N 3.41Å; G159-N161 PolarHBondContact O-OD1 3.33Å | ||
| 160 | C | 54.8 | Low | 57.1 | Low | 55 Ų | 55 | 90.7 Ų | 90.7 | 37% | 0.372 | 48% | 0.482 | S | S | . | . | trans | -71.7 | 71.3 | -177.5 | -170 | 0 | 0 | 0 | 0 | 111.4 | C151 N162 | C151-C160 HydrophobicContact CB-CB 4.08Å; C151-C160 WeakPolarHBondContact CB-SG 3.37Å; C151-C160 WeakPolarHBondContact SG-CB 3.47Å; C151-C160 CovalentContact SG-SG 2.04Å; C151-C160 PolarHBondContact SG-SG 2.93Å; C160-N162 VanDerWaalsContact C-N 3.33Å; C160-N162 PolarHBondContact O-N 2.91Å | ||
| 161 | N | 53.9 | Low | 56.6 | Low | 128 Ų | 128 | 92.8 Ų | 92.8 | 68% | 0.684 | 50% | 0.496 | S | S | * | . | trans | -75.6 | -17.1 | -168.3 | -71.2 | -17.5 | 0 | 0 | 0 | 113.9 | G159 Q163 | G159-N161 VanDerWaalsContact O-CG 3.32Å; G159-N161 PolarHBondContact O-N 3.41Å; G159-N161 PolarHBondContact O-OD1 3.33Å; N161-Q163 PolarHBondContact O-N 3.47Å | ||
| 162 | N | 53 | Low | 55.9 | Low | 97 Ų | 97 | 96.8 Ų | 96.8 | 52% | 0.519 | 52% | 0.515 | S | S | . | . | trans | -82.8 | 94.9 | -177.8 | -67.1 | -16.2 | 0 | 0 | 0 | 111.3 | C160 A164 E165 M166 | C160-N162 VanDerWaalsContact C-N 3.33Å; C160-N162 PolarHBondContact O-N 2.91Å; N162-A164 PolarHBondContact O-N 3.03Å; N162-E165 HydrophobicContact CB-CB 3.98Å; N162-E165 PolarHBondContact ND2-OE2 2.9Å; N162-E165 PolarHBondContact O-N 2.97Å; N162-M166 PolarHBondContact O-N 2.95Å | ||
| 163 | Q | 53.2 | Low | 55.7 | Low | 185 Ų | 185 | 102.4 Ų | 102.4 | 86% | 0.864 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -19.9 | 174.9 | -66.6 | -172.6 | 0.1 | 0 | 0 | 114.3 | N161 E165 | N161-Q163 PolarHBondContact O-N 3.47Å; Q163-E165 VanDerWaalsContact C-N 3.34Å |
| 164 | A | 50.6 | Low | 56.6 | Low | 55 Ų | 55 | 101.3 Ų | 101.3 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -22.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | R71 N162 | R71-A164 WeakPolarHBondContact CD-O 3.48Å; R71-A164 PolarHBondContact NH1-O 3.29Å; N162-A164 PolarHBondContact O-N 3.03Å |
| 165 | E | 57.3 | Low | 58.1 | Low | 80 Ų | 80 | 94.1 Ų | 94.1 | 37% | 0.374 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -25.1 | -166.7 | -160.1 | 175 | 165.6 | 0 | 0 | 111.7 | N162 Q163 L167 | N162-E165 HydrophobicContact CB-CB 3.98Å; N162-E165 PolarHBondContact ND2-OE2 2.9Å; N162-E165 PolarHBondContact O-N 2.97Å; Q163-E165 VanDerWaalsContact C-N 3.34Å; E165-L167 PolarHBondContact O-N 3.13Å |
| 166 | M | 61.6 | Low | 60 | Low | 43 Ų | 43 | 89 Ų | 89 | 21% | 0.212 | 48% | 0.481 | C | S | . | . | trans | -66.4 | 103.9 | 179.2 | -172.4 | -165.1 | -163.7 | 0 | 0 | 112.6 | V149 N162 K168 | V149-M166 HydrophobicContact CB-CE 4.24Å; V149-M166 HydrophobicContact CG1-CE 3.51Å; V149-M166 HydrophobicContact CG1-CG 3.71Å; V149-M166 HydrophobicContact CG1-SD 4.5Å; V149-M166 HydrophobicContact CG2-CE 3.61Å; N162-M166 PolarHBondContact O-N 2.95Å; M166-K168 HydrophobicContact CG-CG 4.49Å; M166-K168 PolarHBondContact O-N 3.33Å; M166-K168 WeakPolarHBondContact SD-CE 3.41Å; M166-K168 HydrophobicContact SD-CG 4.38Å | ||
| 167 | L | 67.1 | Low | 62 | Low | 11 Ų | 11 | 83 Ų | 83 | 6% | 0.058 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 106.5 | 176.6 | -148.2 | 80 | 0 | 0 | 0 | 110.4 | V72 V131 L134 C150 E165 L169 L182 | V72-L167 HydrophobicContact CG2-CD1 4.03Å; V131-L167 HydrophobicContact CG2-CD2 4.16Å; L134-L167 HydrophobicContact CD1-CB 3.7Å; L134-L167 HydrophobicContact CD1-CD2 3.7Å; L134-L167 HydrophobicContact CD1-CG 4.18Å; C150-L167 HydrophobicContact CB-CB 4.41Å; C150-L167 PolarHBondContact N-O 3.08Å; C150-L167 VanDerWaalsContact N-O 3.15Å; C150-L167 PolarHBondContact O-N 2.93Å; C150-L167 VanDerWaalsContact O-N 3.08Å; E165-L167 PolarHBondContact O-N 3.13Å; L167-L169 HydrophobicContact CD2-CD2 4.2Å; L167-L182 HydrophobicContact CD2-CD2 4.25Å |
| 168 | K | 69.3 | Low | 63.9 | Low | 98 Ų | 98 | 77.9 Ų | 77.9 | 43% | 0.426 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 121.9 | 174.4 | -66.5 | -173.8 | 178.3 | -176 | 0 | 111.2 | T68 S69 V147 M166 | T68-K168 PolarHBondContact N-O 2.96Å; T68-K168 VanDerWaalsContact N-O 3.12Å; T68-K168 WeakPolarHBondContact OG1-CB 3.29Å; T68-K168 PolarHBondContact OG1-O 2.74Å; S69-K168 PolarHBondContact N-O 3.01Å; V147-K168 HydrophobicContact CG1-CB 4.13Å; V147-K168 HydrophobicContact CG1-CD 4.47Å; V147-K168 HydrophobicContact CG1-CG 4.24Å; M166-K168 HydrophobicContact CG-CG 4.49Å; M166-K168 PolarHBondContact O-N 3.33Å; M166-K168 WeakPolarHBondContact SD-CE 3.41Å; M166-K168 HydrophobicContact SD-CG 4.38Å |
| 169 | L | 71.9 | Confident | 65.5 | Low | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.005 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 146.6 | -179.7 | -62 | 172.5 | 0 | 0 | 0 | 110.4 | L66 C148 L167 I178 L182 | L66-L169 WeakPolarHBondContact O-CA 3.47Å; C148-L169 HydrophobicContact CB-CB 3.82Å; C148-L169 PolarHBondContact N-O 3.1Å; C148-L169 PolarHBondContact O-N 3.36Å; L167-L169 HydrophobicContact CD2-CD2 4.2Å; L169-I178 HydrophobicContact CB-CG2 4.31Å; L169-I178 HydrophobicContact CD1-CG2 4.23Å; L169-L182 HydrophobicContact CD2-CD2 3.61Å |
| 170 | N | 71.4 | Confident | 66.9 | Low | 61 Ų | 61 | 76.2 Ų | 76.2 | 33% | 0.326 | 39% | 0.392 | S | S | . | . | trans | -77.6 | 124.3 | -178.8 | -163.7 | 43.4 | 0 | 0 | 0 | 110.9 | L66 T68 L172 I178 | L66-N170 PolarHBondContact O-N 2.8Å; T68-N170 HydrophobicContact CG2-CB 4.15Å; N170-L172 PolarHBondContact O-N 3.04Å; N170-I178 WeakPolarHBondContact O-CD1 3.49Å | ||
| 171 | P | 64.8 | Low | 68.4 | Low | 45 Ų | 45 | 80.6 Ų | 80.6 | 29% | 0.292 | 40% | 0.4 | S | S | . | . | trans | -78.3 | 82.6 | -172.7 | 33 | -37.8 | 0 | 0 | 0 | 112.9 | L139 G146 | L139-P171 HydrophobicContact CD1-CB 4.49Å; G146-P171 WeakPolarHBondContact O-CB 3.44Å; G146-P171 VanDerWaalsContact O-CG 3.27Å; G146-P171 WeakPolarHBondContact O-CG 3.39Å | ||
| 172 | L | 57 | Low | 69.9 | Low | 116 Ų | 116 | 74.7 Ų | 74.7 | 61% | 0.607 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -94.7 | -23.1 | 174.1 | -77.5 | 159.9 | 0 | 0 | 0 | 113.8 | L66 N170 I178 | L66-L172 HydrophobicContact CD2-CD1 4Å; N170-L172 PolarHBondContact O-N 3.04Å; L172-I178 HydrophobicContact CB-CD1 4.19Å |
| 173 | R | 62.8 | Low | 71.4 | Confident | 197 Ų | 197 | 73.9 Ų | 73.9 | 74% | 0.743 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -164.1 | -173.9 | 175 | -73.1 | -155.1 | 176.9 | -173.2 | -2.7 | 108.1 | I178 | R173-I178 VanDerWaalsContact O-CD1 3.27Å; R173-I178 WeakPolarHBondContact O-CD1 3.44Å |
| 174 | D | 73.7 | Confident | 73.2 | Confident | 112 Ų | 112 | 69.6 Ų | 69.6 | 60% | 0.599 | 34% | 0.341 | S | S | * | . | trans | -48.8 | 134.5 | -178.9 | -41.6 | -85.3 | 0 | 0 | 0 | 113.4 | N176 T177 I178 | D174-N176 VanDerWaalsContact C-N 3.26Å; D174-N176 PolarHBondContact O-N 3.45Å; D174-N176 VanDerWaalsContact O-N 3.16Å; D174-T177 WeakPolarHBondContact O-CB 3.3Å; D174-T177 PolarHBondContact O-N 2.91Å; D174-I178 PolarHBondContact O-N 3.37Å | ||
| 175 | C | 76.5 | Confident | 75.1 | Confident | 10 Ų | 10 | 69 Ų | 69 | 7% | 0.068 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -57.9 | -36.2 | -173.4 | -53.6 | 0 | 0 | 0 | 0 | 113.4 | C137 C148 I178 R179 | C137-C175 HydrophobicContact CB-CB 3.9Å; C148-C175 VanDerWaalsContact CA-SG 3.53Å; C148-C175 HydrophobicContact CB-CB 3.7Å; C148-C175 WeakPolarHBondContact CB-SG 3.48Å; C148-C175 WeakPolarHBondContact SG-CA 3.24Å; C148-C175 WeakPolarHBondContact SG-CB 3.41Å; C148-C175 CovalentContact SG-SG 2.04Å; C148-C175 PolarHBondContact SG-SG 3.09Å; C175-I178 PolarHBondContact O-N 2.87Å; C175-R179 WeakPolarHBondContact O-CB 3.4Å; C175-R179 PolarHBondContact O-N 3.36Å |
| 176 | N | 79.4 | Confident | 76.5 | Confident | 93 Ų | 93 | 65.6 Ų | 65.6 | 50% | 0.497 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68.1 | -40.5 | 177 | -71.3 | -24.2 | 0 | 0 | 0 | 111.9 | D174 R179 L180 | D174-N176 VanDerWaalsContact C-N 3.26Å; D174-N176 PolarHBondContact O-N 3.45Å; D174-N176 VanDerWaalsContact O-N 3.16Å; N176-R179 PolarHBondContact O-N 2.83Å; N176-L180 PolarHBondContact O-N 3.49Å |
| 177 | T | 83.3 | Confident | 77.8 | Confident | 67 Ų | 67 | 70.4 Ų | 70.4 | 41% | 0.411 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.9 | -41.6 | 174.7 | -53.8 | 0 | 0 | 0 | 0 | 111 | D174 L180 R181 | D174-T177 WeakPolarHBondContact O-CB 3.3Å; D174-T177 PolarHBondContact O-N 2.91Å; T177-L180 PolarHBondContact O-N 3.3Å; T177-R181 WeakPolarHBondContact O-CG 3.29Å; T177-R181 PolarHBondContact O-N 3.32Å |
| 178 | I | 81.3 | Confident | 79 | Confident | 8 Ų | 8 | 72.1 Ų | 72.1 | 4% | 0.041 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.8 | -42.3 | 175.4 | -63.5 | -173.4 | 0 | 0 | 0 | 111.5 | L66 L169 N170 L172 R173 D174 C175 L180 R181 L182 | L66-I178 HydrophobicContact CB-CG2 4.47Å; L66-I178 HydrophobicContact CD2-CG2 4.36Å; L169-I178 HydrophobicContact CB-CG2 4.31Å; L169-I178 HydrophobicContact CD1-CG2 4.23Å; N170-I178 WeakPolarHBondContact O-CD1 3.49Å; L172-I178 HydrophobicContact CB-CD1 4.19Å; R173-I178 VanDerWaalsContact O-CD1 3.27Å; R173-I178 WeakPolarHBondContact O-CD1 3.44Å; D174-I178 PolarHBondContact O-N 3.37Å; C175-I178 PolarHBondContact O-N 2.87Å; I178-L180 VanDerWaalsContact C-N 3.29Å; I178-L180 PolarHBondContact O-N 2.91Å; I178-R181 PolarHBondContact O-N 3.23Å; I178-L182 WeakPolarHBondContact O-CB 3.1Å; I178-L182 PolarHBondContact O-N 3.46Å |
| 179 | R | 79.8 | Confident | 80.1 | Confident | 39 Ų | 39 | 67.5 Ų | 67.5 | 15% | 0.147 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -56.5 | -45.8 | 173.8 | -179.7 | 174.2 | 68.8 | 109.2 | -8.2 | 111 | V131 L134 E135 C175 N176 L182 K183 | V131-R179 HydrophobicContact CG1-CG 3.96Å; L134-R179 WeakPolarHBondContact O-CD 3.05Å; L134-R179 PolarHBondContact O-NE 2.93Å; L134-R179 VanDerWaalsContact O-NE 3.15Å; L134-R179 PolarHBondContact O-NH1 3.41Å; E135-R179 PolarHBondContact O-NH2 2.93Å; C175-R179 WeakPolarHBondContact O-CB 3.4Å; C175-R179 PolarHBondContact O-N 3.36Å; N176-R179 PolarHBondContact O-N 2.83Å; R179-L182 PolarHBondContact O-N 3.05Å; R179-K183 PolarHBondContact O-N 3.19Å |
| 180 | L | 83 | Confident | 81.1 | Confident | 100 Ų | 100 | 67.9 Ų | 67.9 | 52% | 0.524 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.5 | -45.2 | -179.9 | -146.7 | 74.2 | 0 | 0 | 0 | 111.5 | N176 T177 I178 L182 K183 E184 | N176-L180 PolarHBondContact O-N 3.49Å; T177-L180 PolarHBondContact O-N 3.3Å; I178-L180 VanDerWaalsContact C-N 3.29Å; I178-L180 PolarHBondContact O-N 2.91Å; L180-L182 PolarHBondContact O-N 3.4Å; L180-K183 WeakPolarHBondContact O-CB 3.34Å; L180-K183 PolarHBondContact O-N 2.86Å; L180-E184 WeakPolarHBondContact O-CG 3.45Å; L180-E184 PolarHBondContact O-N 2.04Å |
| 181 | R | 85.7 | Confident | 82.2 | Confident | 146 Ų | 146 | 67 Ų | 67 | 55% | 0.551 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63.1 | -38.9 | 174.2 | -69.9 | -51.2 | -164.4 | -175.6 | -0.6 | 112.9 | T177 I178 K183 E184 L185 | T177-R181 WeakPolarHBondContact O-CG 3.29Å; T177-R181 PolarHBondContact O-N 3.32Å; I178-R181 PolarHBondContact O-N 3.23Å; R181-K183 VanDerWaalsContact C-N 3.34Å; R181-E184 WeakPolarHBondContact CD-OE2 3.4Å; R181-E184 IonicContact CZ-OE2 2.59Å; R181-E184 IonicContact NE-OE2 2.7Å; R181-E184 IonicContact NH1-OE1 3.59Å; R181-E184 IonicContact NH1-OE2 2.79Å; R181-E184 PolarHBondContact NH1-OE2 3.47Å; R181-E184 PolarHBondContact O-N 3.46Å; R181-L185 WeakPolarHBondContact O-CB 3.13Å; R181-L185 WeakPolarHBondContact O-CD1 3.4Å; R181-L185 VanDerWaalsContact O-CG 3.22Å; R181-L185 WeakPolarHBondContact O-CG 3.34Å; R181-L185 PolarHBondContact O-N 2.82Å |
| 182 | L | 84.8 | Confident | 83.6 | Confident | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.021 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -65.5 | -38 | 175.6 | -177.2 | 61.3 | 0 | 0 | 0 | 111.6 | A63 V131 L167 L169 I178 R179 L180 L185 L186 | A63-L182 HydrophobicContact CB-CD1 4.15Å; V131-L182 HydrophobicContact CG2-CD2 4.19Å; V131-L182 HydrophobicContact CG2-CG 4.5Å; L167-L182 HydrophobicContact CD2-CD2 4.25Å; L169-L182 HydrophobicContact CD2-CD2 3.61Å; I178-L182 WeakPolarHBondContact O-CB 3.1Å; I178-L182 PolarHBondContact O-N 3.46Å; R179-L182 PolarHBondContact O-N 3.05Å; L180-L182 PolarHBondContact O-N 3.4Å; L182-L185 PolarHBondContact O-N 2.7Å; L182-L186 HydrophobicContact CD1-CD1 4.19Å; L182-L186 HydrophobicContact CD1-CG 4.15Å; L182-L186 HydrophobicContact CG-CD1 3.95Å; L182-L186 HydrophobicContact CG-CG 4.37Å; L182-L186 WeakPolarHBondContact O-CB 3.21Å; L182-L186 VanDerWaalsContact O-CG 3.29Å; L182-L186 WeakPolarHBondContact O-CG 3.45Å; L182-L186 PolarHBondContact O-N 3.36Å |
| 183 | K | 85.3 | Confident | 85.4 | Confident | 80 Ų | 80 | 60.2 Ų | 60.2 | 35% | 0.348 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62 | -46.7 | 173.5 | -177.9 | 174.8 | 168.1 | 177.3 | 0 | 111.8 | V131 N132 R179 L180 R181 L186 F187 | V131-K183 HydrophobicContact CG1-CB 3.92Å; N132-K183 WeakPolarHBondContact OD1-CE 3.43Å; N132-K183 PolarHBondContact OD1-NZ 3.34Å; R179-K183 PolarHBondContact O-N 3.19Å; L180-K183 WeakPolarHBondContact O-CB 3.34Å; L180-K183 PolarHBondContact O-N 2.86Å; R181-K183 VanDerWaalsContact C-N 3.34Å; K183-L186 PolarHBondContact O-N 3.48Å; K183-F187 WeakPolarHBondContact O-CB 3.2Å; K183-F187 PolarHBondContact O-N 3.29Å |
| 184 | E | 89.9 | Confident | 87 | Confident | 96 Ų | 96 | 54.2 Ų | 54.2 | 45% | 0.449 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.1 | -45.9 | 174.5 | -70.7 | 175.7 | 158.8 | 0 | 0 | 111.9 | L180 R181 F187 S188 | L180-E184 WeakPolarHBondContact O-CG 3.45Å; L180-E184 PolarHBondContact O-N 2.04Å; R181-E184 WeakPolarHBondContact CD-OE2 3.4Å; R181-E184 IonicContact CZ-OE2 2.59Å; R181-E184 IonicContact NE-OE2 2.7Å; R181-E184 IonicContact NH1-OE1 3.59Å; R181-E184 IonicContact NH1-OE2 2.79Å; R181-E184 PolarHBondContact NH1-OE2 3.47Å; R181-E184 PolarHBondContact O-N 3.46Å; E184-F187 PolarHBondContact O-N 3Å; E184-S188 VanDerWaalsContact O-CB 3.3Å; E184-S188 WeakPolarHBondContact O-CB 3.48Å; E184-S188 PolarHBondContact O-N 3.34Å |
| 185 | L | 90.4 | Very high | 88 | Confident | 42 Ų | 42 | 53.2 Ų | 53.2 | 22% | 0.22 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65 | -44 | 179 | -70.9 | 165.7 | 0 | 0 | 0 | 111.9 | V59 L66 R181 L182 S188 V189 | V59-L185 HydrophobicContact CG1-CD2 3.72Å; L66-L185 HydrophobicContact CD1-CD1 3.5Å; L66-L185 VanDerWaalsContact CD1-CD1 3.5Å; R181-L185 WeakPolarHBondContact O-CB 3.13Å; R181-L185 WeakPolarHBondContact O-CD1 3.4Å; R181-L185 VanDerWaalsContact O-CG 3.22Å; R181-L185 WeakPolarHBondContact O-CG 3.34Å; R181-L185 PolarHBondContact O-N 2.82Å; L182-L185 PolarHBondContact O-N 2.7Å; L185-S188 WeakPolarHBondContact O-CB 3.39Å; L185-S188 PolarHBondContact O-N 3.23Å; L185-V189 WeakPolarHBondContact O-CG2 3.39Å; L185-V189 PolarHBondContact O-N 3.38Å |
| 186 | L | 87.4 | Confident | 89 | Confident | 8 Ų | 8 | 52.8 Ų | 52.8 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.6 | -38.5 | 177.7 | -72.9 | 169.6 | 0 | 0 | 0 | 112.4 | N127 A128 V131 L182 K183 V189 C190 | N127-L186 HydrophobicContact CB-CD1 4.12Å; N127-L186 HydrophobicContact CB-CD2 4.1Å; A128-L186 HydrophobicContact CB-CB 4.16Å; V131-L186 HydrophobicContact CB-CD1 4.28Å; V131-L186 HydrophobicContact CG2-CD1 3.66Å; L182-L186 HydrophobicContact CD1-CD1 4.19Å; L182-L186 HydrophobicContact CD1-CG 4.15Å; L182-L186 HydrophobicContact CG-CD1 3.95Å; L182-L186 HydrophobicContact CG-CG 4.37Å; L182-L186 WeakPolarHBondContact O-CB 3.21Å; L182-L186 VanDerWaalsContact O-CG 3.29Å; L182-L186 WeakPolarHBondContact O-CG 3.45Å; L182-L186 PolarHBondContact O-N 3.36Å; K183-L186 PolarHBondContact O-N 3.48Å; L186-V189 PolarHBondContact O-N 3.49Å; L186-C190 PolarHBondContact O-N 2.68Å |
| 187 | F | 89.8 | Confident | 89.7 | Confident | 144 Ų | 144 | 49.7 Ų | 49.7 | 63% | 0.632 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -65 | -43.4 | 172.5 | -174.3 | -98.6 | 0 | 0 | 0 | 111.4 | K183 E184 V189 C190 A191 | K183-F187 WeakPolarHBondContact O-CB 3.2Å; K183-F187 PolarHBondContact O-N 3.29Å; E184-F187 PolarHBondContact O-N 3Å; F187-V189 PolarHBondContact O-N 3.42Å; F187-C190 PolarHBondContact O-N 3.49Å; F187-A191 WeakPolarHBondContact O-CB 3.41Å; F187-A191 PolarHBondContact O-N 3.34Å |
| 188 | S | 92.6 | Very high | 90.3 | Very high | 47 Ų | 47 | 51.1 Ų | 51.1 | 33% | 0.329 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.7 | -46.2 | 174.1 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | E184 L185 C190 A191 L192 | E184-S188 VanDerWaalsContact O-CB 3.3Å; E184-S188 WeakPolarHBondContact O-CB 3.48Å; E184-S188 PolarHBondContact O-N 3.34Å; L185-S188 WeakPolarHBondContact O-CB 3.39Å; L185-S188 PolarHBondContact O-N 3.23Å; S188-C190 PolarHBondContact O-N 2.9Å; S188-A191 PolarHBondContact O-N 2.91Å; S188-L192 WeakPolarHBondContact O-CB 3.26Å; S188-L192 WeakPolarHBondContact O-CG 3.46Å; S188-L192 PolarHBondContact O-N 2.81Å |
| 189 | V | 92.3 | Very high | 91 | Very high | 2 Ų | 2 | 51.9 Ų | 51.9 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.3 | -41.9 | 176.2 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | V59 P77 S124 L185 L186 F187 A191 L192 N193 | V59-V189 HydrophobicContact CB-CG2 4.02Å; V59-V189 HydrophobicContact CG1-CG2 3.45Å; V59-V189 VanDerWaalsContact CG1-CG2 3.45Å; P77-V189 HydrophobicContact CG-CG1 3.34Å; S124-V189 WeakPolarHBondContact OG-CG1 3.32Å; L185-V189 WeakPolarHBondContact O-CG2 3.39Å; L185-V189 PolarHBondContact O-N 3.38Å; L186-V189 PolarHBondContact O-N 3.49Å; F187-V189 PolarHBondContact O-N 3.42Å; V189-A191 PolarHBondContact O-N 2.79Å; V189-L192 PolarHBondContact O-N 3.18Å; V189-N193 WeakPolarHBondContact O-CB 3.33Å; V189-N193 PolarHBondContact O-N 2.86Å; V189-N193 PolarHBondContact O-ND2 3Å |
| 190 | C | 92.6 | Very high | 91.7 | Very high | 8 Ų | 8 | 50 Ų | 50 | 5% | 0.054 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 175.7 | -163.7 | 0 | 0 | 0 | 0 | 111.1 | S121 C125 L186 F187 S188 N193 V194 | S121-C190 PolarHBondContact O-SG 2.97Å; C125-C190 HydrophobicContact CB-CB 4.27Å; C125-C190 WeakPolarHBondContact CB-SG 3.23Å; C125-C190 WeakPolarHBondContact SG-CB 3.46Å; C125-C190 CovalentContact SG-SG 2.05Å; C125-C190 PolarHBondContact SG-SG 3.04Å; L186-C190 PolarHBondContact O-N 2.68Å; F187-C190 PolarHBondContact O-N 3.49Å; S188-C190 PolarHBondContact O-N 2.9Å; C190-N193 PolarHBondContact O-N 3.27Å; C190-V194 WeakPolarHBondContact O-CG2 3.36Å; C190-V194 PolarHBondContact O-N 2.96Å; C190-V194 VanDerWaalsContact O-N 3.09Å |
| 191 | A | 94.4 | Very high | 92.2 | Very high | 42 Ų | 42 | 47.4 Ų | 47.4 | 35% | 0.347 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.7 | -43.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | F187 S188 V189 N193 V194 I195 | F187-A191 WeakPolarHBondContact O-CB 3.41Å; F187-A191 PolarHBondContact O-N 3.34Å; S188-A191 PolarHBondContact O-N 2.91Å; V189-A191 PolarHBondContact O-N 2.79Å; A191-N193 PolarHBondContact O-N 3.44Å; A191-V194 PolarHBondContact O-N 3.39Å; A191-I195 WeakPolarHBondContact O-CG1 3.48Å; A191-I195 PolarHBondContact O-N 3.29Å |
| 192 | L | 94.3 | Very high | 92.6 | Very high | 20 Ų | 20 | 44.9 Ų | 44.9 | 11% | 0.105 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.1 | -40.6 | 177.4 | -72 | 168.6 | 0 | 0 | 0 | 111.7 | L52 L55 I56 V59 S188 V189 I195 S196 | L52-L192 HydrophobicContact CD1-CB 4.38Å; L52-L192 HydrophobicContact CD1-CD2 3.67Å; L55-L192 HydrophobicContact CD2-CD1 4.29Å; L55-L192 HydrophobicContact CD2-CD2 3.63Å; L55-L192 HydrophobicContact CG-CD1 4.02Å; L55-L192 HydrophobicContact CG-CD2 4.2Å; I56-L192 HydrophobicContact CD1-CB 4.42Å; I56-L192 HydrophobicContact CG1-CB 3.79Å; V59-L192 HydrophobicContact CB-CD1 4.45Å; V59-L192 HydrophobicContact CG2-CD1 4.1Å; S188-L192 WeakPolarHBondContact O-CB 3.26Å; S188-L192 WeakPolarHBondContact O-CG 3.46Å; S188-L192 PolarHBondContact O-N 2.81Å; V189-L192 PolarHBondContact O-N 3.18Å; L192-I195 PolarHBondContact O-N 3.5Å; L192-S196 WeakPolarHBondContact O-CB 3.27Å; L192-S196 PolarHBondContact O-N 3.21Å |
| 193 | N | 94.3 | Very high | 93 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.4 | -37 | 174.9 | -68.6 | -23.4 | 0 | 0 | 0 | 112 | P77 G120 S121 V189 C190 A191 S196 T197 | P77-N193 WeakPolarHBondContact CG-ND2 3.29Å; G120-N193 VanDerWaalsContact C-ND2 3.29Å; G120-N193 PolarHBondContact O-ND2 2.92Å; S121-N193 WeakPolarHBondContact OG-CB 3.41Å; V189-N193 WeakPolarHBondContact O-CB 3.33Å; V189-N193 PolarHBondContact O-N 2.86Å; V189-N193 PolarHBondContact O-ND2 3Å; C190-N193 PolarHBondContact O-N 3.27Å; A191-N193 PolarHBondContact O-N 3.44Å; N193-S196 PolarHBondContact O-N 2.93Å; N193-T197 WeakPolarHBondContact O-CB 3.38Å; N193-T197 PolarHBondContact O-N 3.19Å; N193-T197 PolarHBondContact O-OG1 3.33Å |
| 194 | V | 95.8 | Very high | 93.3 | Very high | 71 Ų | 71 | 42.2 Ų | 42.2 | 43% | 0.43 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.3 | -47.2 | 173.7 | 170.7 | 0 | 0 | 0 | 0 | 111.2 | C190 A191 S196 T197 I198 | C190-V194 WeakPolarHBondContact O-CG2 3.36Å; C190-V194 PolarHBondContact O-N 2.96Å; C190-V194 VanDerWaalsContact O-N 3.09Å; A191-V194 PolarHBondContact O-N 3.39Å; V194-S196 VanDerWaalsContact C-N 3.26Å; V194-S196 PolarHBondContact O-N 3.46Å; V194-T197 WeakPolarHBondContact O-CB 3.39Å; V194-T197 PolarHBondContact O-N 3.47Å; V194-I198 HydrophobicContact CG1-CD1 4.31Å; V194-I198 WeakPolarHBondContact O-CG1 3.3Å; V194-I198 PolarHBondContact O-N 3.04Å |
| 195 | I | 96.3 | Very high | 93.4 | Very high | 90 Ų | 90 | 40.1 Ų | 40.1 | 46% | 0.462 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.7 | -41.2 | 175.7 | -63.8 | 163.6 | 0 | 0 | 0 | 110.3 | L52 A191 L192 I198 V199 | L52-I195 HydrophobicContact CD2-CB 4.4Å; L52-I195 HydrophobicContact CD2-CG2 3.85Å; A191-I195 WeakPolarHBondContact O-CG1 3.48Å; A191-I195 PolarHBondContact O-N 3.29Å; L192-I195 PolarHBondContact O-N 3.5Å; I195-I198 WeakPolarHBondContact O-CB 3.46Å; I195-I198 PolarHBondContact O-N 3.42Å; I195-V199 WeakPolarHBondContact O-CG2 3.33Å; I195-V199 PolarHBondContact O-N 3Å |
| 196 | S | 95.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 40.2 Ų | 40.2 | 1% | 0.007 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.7 | -38.3 | 177.4 | 178.8 | 0 | 0 | 0 | 0 | 112.6 | L52 V84 N117 L192 N193 V194 I198 V199 C200 | L52-S196 VanDerWaalsContact CD2-CA 3.47Å; V84-S196 WeakPolarHBondContact CG2-OG 3.38Å; N117-S196 WeakPolarHBondContact OD1-CB 3.46Å; N117-S196 PolarHBondContact OD1-OG 3.04Å; L192-S196 WeakPolarHBondContact O-CB 3.27Å; L192-S196 PolarHBondContact O-N 3.21Å; N193-S196 PolarHBondContact O-N 2.93Å; V194-S196 VanDerWaalsContact C-N 3.26Å; V194-S196 PolarHBondContact O-N 3.46Å; S196-I198 VanDerWaalsContact C-N 3.33Å; S196-I198 PolarHBondContact O-N 3.42Å; S196-V199 PolarHBondContact O-N 3.18Å; S196-C200 WeakPolarHBondContact O-CB 3.16Å; S196-C200 PolarHBondContact O-N 3.13Å |
| 197 | T | 95 | Very high | 93.3 | Very high | 28 Ų | 28 | 40 Ų | 40 | 17% | 0.172 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.3 | -43.9 | 172.1 | -53.4 | 0 | 0 | 0 | 0 | 110.7 | V114 N117 N193 V194 A201 | V114-T197 HydrophobicContact CG1-CG2 4.06Å; V114-T197 HydrophobicContact CG2-CG2 4.48Å; N117-T197 WeakPolarHBondContact CB-OG1 3.44Å; N193-T197 WeakPolarHBondContact O-CB 3.38Å; N193-T197 PolarHBondContact O-N 3.19Å; N193-T197 PolarHBondContact O-OG1 3.33Å; V194-T197 WeakPolarHBondContact O-CB 3.39Å; V194-T197 PolarHBondContact O-N 3.47Å; T197-A201 WeakPolarHBondContact O-CB 3.31Å; T197-A201 PolarHBondContact O-N 3.25Å |
| 198 | I | 96.3 | Very high | 93.1 | Very high | 98 Ų | 98 | 35.3 Ų | 35.3 | 50% | 0.503 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -64 | -46.2 | 176.5 | -63.9 | 163.9 | 0 | 0 | 0 | 110.9 | V194 I195 S196 A201 L202 | V194-I198 HydrophobicContact CG1-CD1 4.31Å; V194-I198 WeakPolarHBondContact O-CG1 3.3Å; V194-I198 PolarHBondContact O-N 3.04Å; I195-I198 WeakPolarHBondContact O-CB 3.46Å; I195-I198 PolarHBondContact O-N 3.42Å; S196-I198 VanDerWaalsContact C-N 3.33Å; S196-I198 PolarHBondContact O-N 3.42Å; I198-A201 PolarHBondContact O-N 2.93Å; I198-L202 HydrophobicContact CG2-CD1 4.08Å; I198-L202 WeakPolarHBondContact O-CB 3.32Å; I198-L202 WeakPolarHBondContact O-CG 3.3Å; I198-L202 PolarHBondContact O-N 3.47Å |
| 199 | V | 95.6 | Very high | 92.8 | Very high | 23 Ų | 23 | 38.8 Ų | 38.8 | 14% | 0.139 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.6 | -43.5 | 179.6 | 173.7 | 0 | 0 | 0 | 0 | 111.8 | L45 S48 Q49 L52 I195 S196 L202 A203 | L45-V199 HydrophobicContact CD2-CG1 4.25Å; S48-V199 WeakPolarHBondContact OG-CG1 3.42Å; Q49-V199 HydrophobicContact CG-CG1 3.67Å; L52-V199 HydrophobicContact CD2-CG2 4.36Å; I195-V199 WeakPolarHBondContact O-CG2 3.33Å; I195-V199 PolarHBondContact O-N 3Å; S196-V199 PolarHBondContact O-N 3.18Å; V199-L202 PolarHBondContact O-N 3.44Å; V199-A203 WeakPolarHBondContact O-CB 3.43Å; V199-A203 PolarHBondContact O-N 3.45Å |
| 200 | C | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66.2 | -36.5 | 174 | -83.4 | 0 | 0 | 0 | 0 | 112.3 | Q49 C113 V114 S196 A203 T204 | Q49-C200 PolarHBondContact NE2-SG 3.48Å; C113-C200 HydrophobicContact CB-CB 3.82Å; C113-C200 WeakPolarHBondContact CB-SG 3.06Å; C113-C200 WeakPolarHBondContact SG-CB 3.22Å; C113-C200 CovalentContact SG-SG 2.04Å; C113-C200 PolarHBondContact SG-SG 2.8Å; V114-C200 HydrophobicContact CG2-CB 3.86Å; S196-C200 WeakPolarHBondContact O-CB 3.16Å; S196-C200 PolarHBondContact O-N 3.13Å; C200-A203 PolarHBondContact O-N 2.95Å; C200-T204 PolarHBondContact O-N 3.31Å; C200-T204 PolarHBondContact O-OG1 3.48Å |
| 201 | A | 94.9 | Very high | 91.8 | Very high | 45 Ų | 45 | 42.1 Ų | 42.1 | 37% | 0.372 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.3 | -41.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V114 T197 I198 A203 T204 A205 | V114-A201 HydrophobicContact CG2-CB 4.07Å; T197-A201 WeakPolarHBondContact O-CB 3.31Å; T197-A201 PolarHBondContact O-N 3.25Å; I198-A201 PolarHBondContact O-N 2.93Å; A201-A203 VanDerWaalsContact C-N 3.34Å; A201-T204 PolarHBondContact O-N 3.18Å; A201-A205 WeakPolarHBondContact O-CB 3.33Å; A201-A205 PolarHBondContact O-N 2.86Å |
| 202 | L | 93.7 | Very high | 91.2 | Very high | 93 Ų | 93 | 44.1 Ų | 44.1 | 49% | 0.487 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.7 | -38.7 | 172.9 | -71.7 | 171.6 | 0 | 0 | 0 | 111.9 | L45 I198 V199 M206 | L45-L202 HydrophobicContact CD2-CB 4.27Å; I198-L202 HydrophobicContact CG2-CD1 4.08Å; I198-L202 WeakPolarHBondContact O-CB 3.32Å; I198-L202 WeakPolarHBondContact O-CG 3.3Å; I198-L202 PolarHBondContact O-N 3.47Å; V199-L202 PolarHBondContact O-N 3.44Å; L202-M206 WeakPolarHBondContact O-CB 3.49Å; L202-M206 VanDerWaalsContact O-CG 3.3Å; L202-M206 WeakPolarHBondContact O-CG 3.47Å; L202-M206 PolarHBondContact O-N 3.16Å |
| 203 | A | 92.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.1 | -49 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F106 V199 C200 A201 A205 M206 C207 | F106-A203 HydrophobicContact CE1-CB 4.46Å; F106-A203 HydrophobicContact CZ-CB 3.99Å; V199-A203 WeakPolarHBondContact O-CB 3.43Å; V199-A203 PolarHBondContact O-N 3.45Å; C200-A203 PolarHBondContact O-N 2.95Å; A201-A203 VanDerWaalsContact C-N 3.34Å; A203-A205 PolarHBondContact O-N 3.48Å; A203-M206 PolarHBondContact O-N 3.41Å; A203-C207 PolarHBondContact O-N 3.15Å; A203-C207 PolarHBondContact O-SG 3.2Å |
| 204 | T | 91.7 | Very high | 89.5 | Confident | 27 Ų | 27 | 47.9 Ų | 47.9 | 17% | 0.166 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -55.9 | -49.4 | 175.2 | -55.1 | 0 | 0 | 0 | 0 | 110.9 | M107 S110 C200 A201 M206 C207 C208 | M107-T204 HydrophobicContact CG-CG2 4.3Å; S110-T204 VanDerWaalsContact CB-OG1 3.29Å; S110-T204 WeakPolarHBondContact CB-OG1 3.13Å; S110-T204 WeakPolarHBondContact OG-CA 3.37Å; S110-T204 PolarHBondContact OG-OG1 3.06Å; C200-T204 PolarHBondContact O-N 3.31Å; C200-T204 PolarHBondContact O-OG1 3.48Å; A201-T204 PolarHBondContact O-N 3.18Å; T204-M206 PolarHBondContact O-N 3.03Å; T204-C207 PolarHBondContact O-N 2.56Å; T204-C207 VanDerWaalsContact O-N 3.09Å; T204-C208 PolarHBondContact O-N 3.45Å; T204-C208 PolarHBondContact O-SG 3.49Å |
| 205 | A | 92.1 | Very high | 88.4 | Confident | 52 Ų | 52 | 48 Ų | 48 | 43% | 0.43 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60 | -44.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | A201 A203 C207 C208 M209 | A201-A205 WeakPolarHBondContact O-CB 3.33Å; A201-A205 PolarHBondContact O-N 2.86Å; A203-A205 PolarHBondContact O-N 3.48Å; A205-C207 VanDerWaalsContact C-N 3.28Å; A205-C207 PolarHBondContact O-N 3.17Å; A205-C208 PolarHBondContact O-N 3.05Å; A205-M209 WeakPolarHBondContact O-CB 3.42Å; A205-M209 VanDerWaalsContact O-CG 3.23Å; A205-M209 WeakPolarHBondContact O-CG 3.37Å; A205-M209 PolarHBondContact O-N 2.91Å |
| 206 | M | 88.4 | Confident | 87.1 | Confident | 45 Ų | 45 | 47.1 Ų | 47.1 | 22% | 0.222 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.5 | -29.8 | 175 | -76.4 | -64 | -62 | 0 | 0 | 113.2 | R38 I41 L45 L202 A203 T204 Q210 | R38-M206 HydrophobicContact CB-CE 4.3Å; R38-M206 HydrophobicContact CG-CE 4.45Å; I41-M206 HydrophobicContact CB-CE 4.32Å; I41-M206 HydrophobicContact CG2-CE 3.95Å; I41-M206 HydrophobicContact CG2-CG 4.44Å; I41-M206 HydrophobicContact CG2-SD 4.44Å; L45-M206 HydrophobicContact CD1-CB 4.39Å; L45-M206 HydrophobicContact CD1-CG 4Å; L202-M206 WeakPolarHBondContact O-CB 3.49Å; L202-M206 VanDerWaalsContact O-CG 3.3Å; L202-M206 WeakPolarHBondContact O-CG 3.47Å; L202-M206 PolarHBondContact O-N 3.16Å; A203-M206 PolarHBondContact O-N 3.41Å; T204-M206 PolarHBondContact O-N 3.03Å; M206-Q210 WeakPolarHBondContact O-CB 3.45Å; M206-Q210 WeakPolarHBondContact O-CG 3.35Å; M206-Q210 PolarHBondContact O-N 3.06Å; M206-Q210 VanDerWaalsContact O-N 3.15Å; M206-Q210 PolarHBondContact O-NE2 2.95Å |
| 207 | C | 86.4 | Confident | 85.5 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.014 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -76.9 | -45.9 | 175.6 | -64.6 | 0 | 0 | 0 | 0 | 111.9 | F106 M107 A203 T204 A205 M209 Q210 M211 | F106-C207 WeakPolarHBondContact CD1-SG 3.47Å; F106-C207 WeakPolarHBondContact CE1-SG 3.45Å; M107-C207 HydrophobicContact CB-CB 3.82Å; M107-C207 HydrophobicContact CG-CB 3.99Å; A203-C207 PolarHBondContact O-N 3.15Å; A203-C207 PolarHBondContact O-SG 3.2Å; T204-C207 PolarHBondContact O-N 2.56Å; T204-C207 VanDerWaalsContact O-N 3.09Å; A205-C207 VanDerWaalsContact C-N 3.28Å; A205-C207 PolarHBondContact O-N 3.17Å; C207-M209 VanDerWaalsContact C-N 3.34Å; C207-M209 PolarHBondContact O-N 3.23Å; C207-Q210 CarbonylContact O-C 3.6Å; C207-Q210 WeakPolarHBondContact O-CB 3.49Å; C207-Q210 PolarHBondContact O-N 2.83Å; C207-Q210 VanDerWaalsContact O-N 3.08Å; C207-M211 PolarHBondContact O-N 3.31Å |
| 208 | C | 86.8 | Confident | 83.8 | Confident | 47 Ų | 47 | 56.8 Ų | 56.8 | 32% | 0.318 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60 | -45.1 | 175 | -63.6 | 0 | 0 | 0 | 0 | 111.2 | T204 A205 Q210 M211 V212 | T204-C208 PolarHBondContact O-N 3.45Å; T204-C208 PolarHBondContact O-SG 3.49Å; A205-C208 PolarHBondContact O-N 3.05Å; C208-Q210 VanDerWaalsContact C-N 3.26Å; C208-Q210 PolarHBondContact O-N 3.13Å; C208-M211 PolarHBondContact O-N 2.91Å; C208-V212 WeakPolarHBondContact O-CG2 3.21Å; C208-V212 PolarHBondContact O-N 2.92Å |
| 209 | M | 85.8 | Confident | 82 | Confident | 120 Ų | 120 | 59.5 Ų | 59.5 | 59% | 0.591 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.4 | -29 | 175 | -70.1 | -64.8 | -74 | 0 | 0 | 112.7 | A205 C207 S213 | A205-M209 WeakPolarHBondContact O-CB 3.42Å; A205-M209 VanDerWaalsContact O-CG 3.23Å; A205-M209 WeakPolarHBondContact O-CG 3.37Å; A205-M209 PolarHBondContact O-N 2.91Å; C207-M209 VanDerWaalsContact C-N 3.34Å; C207-M209 PolarHBondContact O-N 3.23Å; M209-S213 WeakPolarHBondContact O-CB 3.48Å; M209-S213 PolarHBondContact O-N 3.25Å; M209-S213 VanDerWaalsContact O-N 3.11Å; M209-S213 PolarHBondContact O-OG 3.23Å |
| 210 | Q | 82.4 | Confident | 80.1 | Confident | 21 Ų | 21 | 66.3 Ų | 66.3 | 10% | 0.098 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -74.8 | -46 | 172.9 | -88.3 | 171.6 | 82 | 0 | 0 | 112.7 | M42 M206 C207 C208 S213 T214 | M42-Q210 VanDerWaalsContact CG-NE2 3.33Å; M42-Q210 PolarHBondContact SD-NE2 3.25Å; M206-Q210 WeakPolarHBondContact O-CB 3.45Å; M206-Q210 WeakPolarHBondContact O-CG 3.35Å; M206-Q210 PolarHBondContact O-N 3.06Å; M206-Q210 VanDerWaalsContact O-N 3.15Å; M206-Q210 PolarHBondContact O-NE2 2.95Å; C207-Q210 CarbonylContact O-C 3.6Å; C207-Q210 WeakPolarHBondContact O-CB 3.49Å; C207-Q210 PolarHBondContact O-N 2.83Å; C207-Q210 VanDerWaalsContact O-N 3.08Å; C208-Q210 VanDerWaalsContact C-N 3.26Å; C208-Q210 PolarHBondContact O-N 3.13Å; Q210-S213 CarbonylContact O-C 3.59Å; Q210-S213 WeakPolarHBondContact O-CA 3.49Å; Q210-S213 WeakPolarHBondContact O-CB 3.4Å; Q210-S213 PolarHBondContact O-N 2.95Å; Q210-S213 VanDerWaalsContact O-N 3.09Å; Q210-T214 PolarHBondContact O-N 3.43Å; Q210-T214 PolarHBondContact O-OG1 2.91Å |
| 211 | M | 80.7 | Confident | 78 | Confident | 59 Ų | 59 | 71.4 Ų | 71.4 | 29% | 0.291 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -56.2 | -54.9 | 176.6 | -168.4 | 176.5 | 80 | 0 | 0 | 110.3 | T104 M107 C207 C208 S213 T214 D215 | T104-M211 HydrophobicContact CG2-SD 4.02Å; M107-M211 HydrophobicContact CE-SD 4.48Å; C207-M211 PolarHBondContact O-N 3.31Å; C208-M211 PolarHBondContact O-N 2.91Å; M211-S213 VanDerWaalsContact C-N 3.26Å; M211-S213 PolarHBondContact O-N 3.32Å; M211-T214 WeakPolarHBondContact CA-OG1 3.38Å; M211-T214 PolarHBondContact O-N 3.12Å; M211-T214 PolarHBondContact O-OG1 3.09Å; M211-D215 PolarHBondContact O-N 3.43Å |
| 212 | V | 83.2 | Confident | 75.4 | Confident | 84 Ų | 84 | 72.7 Ų | 72.7 | 51% | 0.509 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.4 | -36.9 | 174.8 | 176.1 | 0 | 0 | 0 | 0 | 111.9 | C208 V216 | C208-V212 WeakPolarHBondContact O-CG2 3.21Å; C208-V212 PolarHBondContact O-N 2.92Å; V212-V216 HydrophobicContact CG1-CG2 4.43Å; V212-V216 VanDerWaalsContact O-CB 3.29Å; V212-V216 WeakPolarHBondContact O-CB 3.45Å; V212-V216 WeakPolarHBondContact O-CG2 3.37Å; V212-V216 PolarHBondContact O-N 2.96Å; V212-V216 VanDerWaalsContact O-N 3.13Å |
| 213 | S | 80.2 | Confident | 72.9 | Confident | 40 Ų | 40 | 76.2 Ų | 76.2 | 28% | 0.28 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -68.9 | -33.5 | 174.8 | -63.8 | 0 | 0 | 0 | 0 | 113.4 | R38 M209 Q210 M211 L217 | R38-S213 PolarHBondContact NH1-OG 3.12Å; M209-S213 WeakPolarHBondContact O-CB 3.48Å; M209-S213 PolarHBondContact O-N 3.25Å; M209-S213 VanDerWaalsContact O-N 3.11Å; M209-S213 PolarHBondContact O-OG 3.23Å; Q210-S213 CarbonylContact O-C 3.59Å; Q210-S213 WeakPolarHBondContact O-CA 3.49Å; Q210-S213 WeakPolarHBondContact O-CB 3.4Å; Q210-S213 PolarHBondContact O-N 2.95Å; Q210-S213 VanDerWaalsContact O-N 3.09Å; M211-S213 VanDerWaalsContact C-N 3.26Å; M211-S213 PolarHBondContact O-N 3.32Å; S213-L217 WeakPolarHBondContact O-CB 3.32Å; S213-L217 PolarHBondContact O-N 3.36Å; S213-L217 VanDerWaalsContact O-N 3.13Å |
| 214 | T | 71.4 | Confident | 70.5 | Confident | 59 Ų | 59 | 84.9 Ų | 84.9 | 36% | 0.362 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -77.1 | -39.3 | 178 | 46.2 | 0 | 0 | 0 | 0 | 111.7 | Q210 M211 L217 Q218 | Q210-T214 PolarHBondContact O-N 3.43Å; Q210-T214 PolarHBondContact O-OG1 2.91Å; M211-T214 WeakPolarHBondContact CA-OG1 3.38Å; M211-T214 PolarHBondContact O-N 3.12Å; M211-T214 PolarHBondContact O-OG1 3.09Å; T214-L217 CarbonylContact O-C 3.57Å; T214-L217 PolarHBondContact O-N 2.85Å; T214-Q218 WeakPolarHBondContact O-CB 3.41Å; T214-Q218 WeakPolarHBondContact O-CG 3.47Å; T214-Q218 PolarHBondContact O-N 3.27Å |
| 215 | D | 72.8 | Confident | 67.7 | Low | 73 Ų | 73 | 87.3 Ų | 87.3 | 39% | 0.39 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.7 | -44.5 | -178.1 | -53.9 | -17.8 | 0 | 0 | 0 | 109.7 | M211 L217 Q218 M219 | M211-D215 PolarHBondContact O-N 3.43Å; D215-L217 VanDerWaalsContact C-N 3.34Å; D215-L217 PolarHBondContact O-N 3.05Å; D215-Q218 PolarHBondContact O-N 2.97Å; D215-M219 WeakPolarHBondContact O-CB 3.28Å; D215-M219 PolarHBondContact O-N 2.89Å |
| 216 | V | 69.6 | Low | 65.1 | Low | 72 Ų | 72 | 94.7 Ų | 94.7 | 44% | 0.436 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 170.7 | 171.2 | 0 | 0 | 0 | 0 | 111.4 | V212 M219 F220 | V212-V216 HydrophobicContact CG1-CG2 4.43Å; V212-V216 VanDerWaalsContact O-CB 3.29Å; V212-V216 WeakPolarHBondContact O-CB 3.45Å; V212-V216 WeakPolarHBondContact O-CG2 3.37Å; V212-V216 PolarHBondContact O-N 2.96Å; V212-V216 VanDerWaalsContact O-N 3.13Å; V216-M219 PolarHBondContact O-N 2.68Å; V216-F220 HydrophobicContact CG1-CD2 3.7Å; V216-F220 HydrophobicContact CG1-CE2 3.69Å; V216-F220 WeakPolarHBondContact O-CD2 3.35Å; V216-F220 PolarHBondContact O-N 3.09Å |
| 217 | L | 61.4 | Low | 62.5 | Low | 90 Ų | 90 | 96 Ų | 96 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.2 | -33.8 | 177.9 | -172.6 | 66.6 | 0 | 0 | 0 | 112.6 | S213 T214 D215 F220 M221 | S213-L217 WeakPolarHBondContact O-CB 3.32Å; S213-L217 PolarHBondContact O-N 3.36Å; S213-L217 VanDerWaalsContact O-N 3.13Å; T214-L217 CarbonylContact O-C 3.57Å; T214-L217 PolarHBondContact O-N 2.85Å; D215-L217 VanDerWaalsContact C-N 3.34Å; D215-L217 PolarHBondContact O-N 3.05Å; L217-F220 PolarHBondContact O-N 3.24Å; L217-M221 WeakPolarHBondContact O-CB 3.31Å; L217-M221 PolarHBondContact O-N 2.86Å; L217-M221 VanDerWaalsContact O-N 3.11Å |
| 218 | Q | 59.3 | Low | 60.3 | Low | 141 Ų | 141 | 102.5 Ų | 102.5 | 66% | 0.659 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.3 | -44.5 | 172.4 | -78.1 | -175 | -26.2 | 0 | 0 | 111.2 | T214 D215 F220 M221 | T214-Q218 WeakPolarHBondContact O-CB 3.41Å; T214-Q218 WeakPolarHBondContact O-CG 3.47Å; T214-Q218 PolarHBondContact O-N 3.27Å; D215-Q218 PolarHBondContact O-N 2.97Å; Q218-F220 PolarHBondContact O-N 3.18Å; Q218-M221 CarbonylContact O-C 3.35Å; Q218-M221 PolarHBondContact O-N 3.21Å |
| 219 | M | 58.2 | Low | 57.9 | Low | 156 Ų | 156 | 107.9 Ų | 107.9 | 77% | 0.768 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -61.4 | -31.1 | 175.3 | -172.8 | 169 | -80.7 | 0 | 0 | 112.6 | D215 V216 P222 | D215-M219 WeakPolarHBondContact O-CB 3.28Å; D215-M219 PolarHBondContact O-N 2.89Å; V216-M219 PolarHBondContact O-N 2.68Å; M219-P222 WeakPolarHBondContact O-CD 3.28Å; M219-P222 WeakPolarHBondContact O-CG 3.39Å |
| 220 | F | 55.4 | Low | 55.8 | Low | 165 Ų | 165 | 106.1 Ų | 106.1 | 72% | 0.724 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.6 | -4 | 171.2 | -77.8 | -61.9 | 0 | 0 | 0 | 115.3 | V216 L217 Q218 | V216-F220 HydrophobicContact CG1-CD2 3.7Å; V216-F220 HydrophobicContact CG1-CE2 3.69Å; V216-F220 WeakPolarHBondContact O-CD2 3.35Å; V216-F220 PolarHBondContact O-N 3.09Å; L217-F220 PolarHBondContact O-N 3.24Å; Q218-F220 PolarHBondContact O-N 3.18Å |
| 221 | M | 50.7 | Low | 53.5 | Low | 107 Ų | 107 | 113.6 Ų | 113.6 | 53% | 0.527 | 59% | 0.593 | S | S | . | * | trans | -133.5 | 43.7 | 177.5 | -78.4 | -76.5 | -175.2 | 0 | 0 | 115.7 | L217 Q218 H223 R224 | L217-M221 WeakPolarHBondContact O-CB 3.31Å; L217-M221 PolarHBondContact O-N 2.86Å; L217-M221 VanDerWaalsContact O-N 3.11Å; Q218-M221 CarbonylContact O-C 3.35Å; Q218-M221 PolarHBondContact O-N 3.21Å; M221-H223 VanDerWaalsContact C-N 3.32Å; M221-H223 PolarHBondContact O-N 2.94Å; M221-R224 HydrophobicContact SD-CB 4.2Å | ||
| 222 | P | 40.7 | Very low | 51 | Low | 72 Ų | 72 | 115.1 Ų | 115.1 | 47% | 0.468 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.7 | -33.9 | -177.6 | -19.2 | 33.4 | 0 | 0 | 0 | 113.8 | M219 | M219-P222 WeakPolarHBondContact O-CD 3.28Å; M219-P222 WeakPolarHBondContact O-CG 3.39Å |
| 223 | H | 40.4 | Very low | 48.6 | Very low | 167 Ų | 167 | 120.2 Ų | 120.2 | 77% | 0.773 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -24.4 | -167.3 | -63.8 | -64.5 | 0 | 0 | 0 | 115.4 | M221 | M221-H223 VanDerWaalsContact C-N 3.32Å; M221-H223 PolarHBondContact O-N 2.94Å |
| 224 | R | 42.2 | Very low | 46.3 | Very low | 183 Ų | 183 | 123.9 Ų | 123.9 | 69% | 0.691 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -24.2 | -172.5 | -157.9 | 167.9 | -172.2 | 140.3 | 4.2 | 114.5 | M221 R226 A227 | M221-R224 HydrophobicContact SD-CB 4.2Å; R224-R226 VanDerWaalsContact C-N 3.33Å; R224-R226 PolarHBondContact O-N 2.92Å; R224-A227 PolarHBondContact O-N 3.28Å |
| 225 | A | 33.5 | Very low | 44.9 | Very low | 78 Ų | 78 | 125.6 Ų | 125.6 | 65% | 0.645 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -67.5 | -31.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A227 | A225-A227 VanDerWaalsContact C-N 3.28Å; A225-A227 PolarHBondContact O-N 2.96Å |
| 226 | R | 37.6 | Very low | 42.8 | Very low | 208 Ų | 208 | 131 Ų | 131 | 79% | 0.785 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -78 | -9.7 | 179.5 | -160.6 | 174.4 | -76.8 | 117.6 | -8.4 | 113.4 | R224 | R224-R226 VanDerWaalsContact C-N 3.33Å; R224-R226 PolarHBondContact O-N 2.92Å |
| 227 | A | 33.3 | Very low | 40.9 | Very low | 71 Ų | 71 | 131.1 Ų | 131.1 | 59% | 0.587 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -101.1 | 8.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115 | R224 A225 | R224-A227 PolarHBondContact O-N 3.28Å; A225-A227 VanDerWaalsContact C-N 3.28Å; A225-A227 PolarHBondContact O-N 2.96Å |
| 228 | L | 39.8 | Very low | 39.7 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 73% | 0.733 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -119.7 | 17.9 | -180 | -69.9 | 177.2 | 0 | 0 | 0 | 113.9 | ||
| 229 | N | 37.3 | Very low | 38.9 | Very low | 160 Ų | 160 | 133.5 Ų | 133.5 | 86% | 0.856 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -137.7 | 44 | 172.4 | -88.4 | -75.2 | 0 | 0 | 0 | 111.2 | ||
| 230 | A | 41.6 | Very low | 37.8 | Very low | 82 Ų | 82 | 133.3 Ų | 133.3 | 68% | 0.678 | 72% | 0.723 | S | S | * | * | trans | -146.3 | 54.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 231 | E | 33.5 | Very low | 36.8 | Very low | 178 Ų | 178 | 133.8 Ų | 133.8 | 83% | 0.832 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -148.1 | 136 | 165.7 | -164.3 | 53.1 | -89.9 | 0 | 0 | 112.4 | ||
| 232 | C | 28.3 | Very low | 35.8 | Very low | 92 Ų | 92 | 136.7 Ų | 136.7 | 62% | 0.622 | 74% | 0.74 | S | S | * | * | trans | 34.8 | 103.1 | 173.2 | -155.4 | 0 | 0 | 0 | 0 | 120.6 | T234 | C232-T234 PolarHBondContact SG-OG1 3.37Å; C232-T234 VanDerWaalsContact SG-OG1 3.34Å | ||
| 233 | M | 32.4 | Very low | 35.7 | Very low | 190 Ų | 190 | 138.4 Ų | 138.4 | 94% | 0.936 | 75% | 0.749 | S | S | * | * | trans | -98.5 | 103.8 | 150.3 | -103.9 | -76.6 | 174.1 | 0 | 0 | 110.1 | ||||
| 234 | T | 31.8 | Very low | 35.7 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | trans | -139.7 | 153.8 | 156.6 | 37.2 | 0 | 0 | 0 | 0 | 111.5 | C232 | C232-T234 PolarHBondContact SG-OG1 3.37Å; C232-T234 VanDerWaalsContact SG-OG1 3.34Å | ||
| 235 | P | 42.4 | Very low | 35.1 | Very low | 96 Ų | 96 | 137.1 Ų | 137.1 | 62% | 0.623 | 76% | 0.761 | S | S | * | * | trans | -101.4 | 173.3 | -157.9 | 38.1 | -35.3 | 0 | 0 | 0 | 116 | ||||
| 236 | H | 29.7 | Very low | 35.3 | Very low | 186 Ų | 186 | 142.9 Ų | 142.9 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | trans | 70.5 | 114.3 | -177.2 | -39.8 | -75.1 | 0 | 0 | 0 | 111.7 | ||||
| 237 | G | 29.8 | Very low | 35.7 | Very low | 75 Ų | 75 | 140.7 Ų | 140.7 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | cis | 113.5 | 134.6 | 46.9 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 238 | T | 36.6 | Very low | 36.4 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | cis | -157.5 | 151.9 | 18.2 | 48.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 239 | I | 42.2 | Very low | 36.4 | Very low | 155 Ų | 155 | 146.6 Ų | 146.6 | 80% | 0.795 | 79% | 0.785 | S | S | * | * | trans | 48.7 | 102.1 | 146.1 | -53.5 | 159.1 | 0 | 0 | 0 | 117.9 | ||||
| 240 | L | 33.7 | Very low | 37.4 | Very low | 151 Ų | 151 | 144.9 Ų | 144.9 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | -164.5 | 150.1 | 111.7 | -119.1 | 167 | 0 | 0 | 0 | 111.5 | |||||
| 241 | H | 34.5 | Very low | 37.9 | Very low | 176 Ų | 176 | 145.3 Ų | 145.3 | 82% | 0.815 | 77% | 0.77 | S | S | * | * | trans | -126.9 | 92.2 | 174.7 | 173.7 | -68.9 | 0 | 0 | 0 | 108.2 | ||||
| 242 | Q | 31.2 | Very low | 38.7 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | trans | -131.3 | 132.4 | 177.4 | -163.4 | 94.9 | 19.7 | 0 | 0 | 109.5 | ||||
| 243 | T | 37.6 | Very low | 39.9 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | trans | -75.2 | 151 | 171.6 | 40.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 244 | L | 40.3 | Very low | 41 | Very low | 163 Ų | 163 | 141.3 Ų | 141.3 | 85% | 0.853 | 76% | 0.762 | S | S | * | * | trans | 69 | 98.9 | 170.4 | -61.4 | 162.1 | 0 | 0 | 0 | 115 | ||||
| 245 | D | 29.4 | Very low | 42.1 | Very low | 159 Ų | 159 | 141 Ų | 141 | 85% | 0.85 | 76% | 0.762 | S | S | * | * | -145.2 | 172.2 | 101.7 | -142.8 | -25.7 | 0 | 0 | 0 | 110.8 | |||||
| 246 | F | 38.3 | Very low | 42.6 | Very low | 200 Ų | 200 | 141.7 Ų | 141.7 | 88% | 0.877 | 77% | 0.766 | S | S | * | * | trans | -146.9 | 70.3 | -176.3 | -114.6 | -70.6 | 0 | 0 | 0 | 111.5 | ||||
| 247 | D | 46.6 | Very low | 43.6 | Very low | 162 Ų | 162 | 138.8 Ų | 138.8 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | trans | -153.5 | 171.5 | 156.6 | -135.7 | -35.3 | 0 | 0 | 0 | 113 | ||||
| 248 | E | 46.8 | Very low | 44.4 | Very low | 157 Ų | 157 | 146.2 Ų | 146.2 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | 54.8 | 60.6 | 171.8 | -159.1 | 162.4 | -146.3 | 0 | 0 | 117.2 | I250 | E248-I250 HydrophobicContact CG-CD1 4.33Å; E248-I250 HydrophobicContact CG-CG1 4.03Å | ||
| 249 | F | 40.4 | Very low | 45.1 | Very low | 177 Ų | 177 | 148.1 Ų | 148.1 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | -90.5 | 94.8 | 154.8 | -168.4 | -90.3 | 0 | 0 | 0 | 110.3 | P251 | F249-P251 WeakPolarHBondContact O-CD 3.29Š| ||
| 250 | I | 57.4 | Low | 45.3 | Very low | 125 Ų | 125 | 145.3 Ų | 145.3 | 64% | 0.641 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 117.3 | 169 | -57.9 | 174.9 | 0 | 0 | 0 | 107.8 | E248 | E248-I250 HydrophobicContact CG-CD1 4.33Å; E248-I250 HydrophobicContact CG-CG1 4.03Å |
| 251 | P | 52.7 | Low | 45.8 | Very low | 91 Ų | 91 | 142.5 Ų | 142.5 | 59% | 0.591 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 145.1 | 177.4 | 29.3 | -34.3 | 0 | 0 | 0 | 110.4 | F249 I253 | F249-P251 WeakPolarHBondContact O-CD 3.29Å; P251-I253 PolarHBondContact O-N 2.76Å |
| 252 | P | 51.1 | Low | 46 | Very low | 110 Ų | 110 | 140.6 Ų | 140.6 | 71% | 0.714 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 138 | 174.9 | 25.8 | -33.8 | 0 | 0 | 0 | 110.4 | ||
| 253 | I | 52.1 | Low | 46.3 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 83% | 0.831 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 128.5 | 178.8 | -59.2 | 171.8 | 0 | 0 | 0 | 108.2 | P251 | P251-I253 PolarHBondContact O-N 2.76Š|
| 254 | P | 55.4 | Low | 46.3 | Very low | 103 Ų | 103 | 142.3 Ų | 142.3 | 67% | 0.669 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 142.2 | 176.3 | 26.6 | -34.3 | 0 | 0 | 0 | 109.7 | ||
| 255 | P | 55.8 | Low | 46.2 | Very low | 111 Ų | 111 | 140.2 Ų | 140.2 | 72% | 0.721 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 144.4 | 172.4 | 26 | -34 | 0 | 0 | 0 | 109.4 | ||
| 256 | P | 52.5 | Low | 46.6 | Very low | 110 Ų | 110 | 138 Ų | 138 | 71% | 0.714 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 142.8 | 179.1 | 24.9 | -34 | 0 | 0 | 0 | 109.8 | Y258 | P256-Y258 PolarHBondContact O-N 3.13Š|
| 257 | P | 51.6 | Low | 46.5 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 81% | 0.812 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 126.9 | -176.9 | 24.5 | -33.6 | 0 | 0 | 0 | 109.7 | Y259 | P257-Y259 PolarHBondContact O-N 2.95Š|
| 258 | Y | 46.2 | Very low | 46.1 | Very low | 232 Ų | 232 | 131.7 Ų | 131.7 | 91% | 0.91 | 72% | 0.72 | S | S | * | * | trans | -63.2 | 101.1 | 169.9 | -100.8 | -92.2 | 0 | 0 | 0 | 108.4 | P256 P260 | P256-Y258 PolarHBondContact O-N 3.13Å; Y258-P260 WeakPolarHBondContact O-CD 3.33Å | ||
| 259 | Y | 51.8 | Low | 45.8 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 65% | 0.651 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 119.7 | 167.8 | -164.2 | -112.8 | 0 | 0 | 0 | 107.4 | P257 E262 | P257-Y259 PolarHBondContact O-N 2.95Å; Y259-E262 HydrophobicContact CE1-CG 3.89Å; Y259-E262 WeakPolarHBondContact CE1-OE1 3.39Å; Y259-E262 PolarHBondContact OH-OE1 2.85Å |
| 260 | P | 45.1 | Very low | 45.5 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 62% | 0.617 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 142.8 | 171.9 | 28.5 | -33.5 | 0 | 0 | 0 | 108.2 | Y258 E262 | Y258-P260 WeakPolarHBondContact O-CD 3.33Å; P260-E262 PolarHBondContact O-N 3.37Å |
| 261 | P | 45.4 | Very low | 44.6 | Very low | 93 Ų | 93 | 129.2 Ų | 129.2 | 60% | 0.604 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 130 | 178.8 | 24.7 | -33.4 | 0 | 0 | 0 | 110 | Y263 | P261-Y263 HydrophobicContact CG-CE2 4.15Å; P261-Y263 PolarHBondContact O-N 2.85Å |
| 262 | E | 38.7 | Very low | 43.8 | Very low | 136 Ų | 136 | 133.9 Ų | 133.9 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | trans | -60.7 | 101.8 | 168 | -82.3 | 172 | -117.1 | 0 | 0 | 108.9 | Y259 P260 T264 | Y259-E262 HydrophobicContact CE1-CG 3.89Å; Y259-E262 WeakPolarHBondContact CE1-OE1 3.39Å; Y259-E262 PolarHBondContact OH-OE1 2.85Å; P260-E262 PolarHBondContact O-N 3.37Å; E262-T264 PolarHBondContact O-N 3.23Å | ||
| 263 | Y | 36.2 | Very low | 43.1 | Very low | 206 Ų | 206 | 141 Ų | 141 | 81% | 0.808 | 76% | 0.758 | S | S | * | * | trans | -70.6 | 87.9 | 159.7 | -70.7 | -77.9 | 0 | 0 | 0 | 107.6 | P261 C265 | P261-Y263 HydrophobicContact CG-CE2 4.15Å; P261-Y263 PolarHBondContact O-N 2.85Å; Y263-C265 PolarHBondContact O-N 3.02Å | ||
| 264 | T | 38.9 | Very low | 42 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | trans | -65.5 | 74.8 | 169.8 | -51.4 | 0 | 0 | 0 | 0 | 109.1 | E262 T266 | E262-T264 PolarHBondContact O-N 3.23Å; T264-T266 HydrophobicContact CG2-CG2 4.29Å; T264-T266 PolarHBondContact O-N 3.47Å | ||
| 265 | C | 38.3 | Very low | 40.9 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -70.8 | 87.2 | 172.6 | -165 | 0 | 0 | 0 | 0 | 107.1 | Y263 P267 | Y263-C265 PolarHBondContact O-N 3.02Å; C265-P267 VanDerWaalsContact O-CD 3.24Å; C265-P267 WeakPolarHBondContact O-CD 3.42Å; C265-P267 VanDerWaalsContact O-N 3.12Å | ||
| 266 | T | 36.8 | Very low | 39.8 | Very low | 111 Ų | 111 | 142 Ų | 142 | 68% | 0.681 | 76% | 0.763 | S | S | * | * | trans | -58 | 113.5 | 178.9 | 49.3 | 0 | 0 | 0 | 0 | 108.7 | T264 S268 | T264-T266 HydrophobicContact CG2-CG2 4.29Å; T264-T266 PolarHBondContact O-N 3.47Å; T266-S268 PolarHBondContact O-N 3.2Å | ||
| 267 | P | 37.6 | Very low | 38.9 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | trans | -69.3 | 110.7 | 178.6 | 28.1 | -32.1 | 0 | 0 | 0 | 107.9 | C265 M269 | C265-P267 VanDerWaalsContact O-CD 3.24Å; C265-P267 WeakPolarHBondContact O-CD 3.42Å; C265-P267 VanDerWaalsContact O-N 3.12Å; P267-M269 PolarHBondContact O-N 2.73Å | ||
| 268 | S | 36.7 | Very low | 38 | Very low | 117 Ų | 117 | 143.9 Ų | 143.9 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -69.1 | 82.9 | 169 | 57.4 | 0 | 0 | 0 | 0 | 108.5 | T266 D270 | T266-S268 PolarHBondContact O-N 3.2Å; S268-D270 VanDerWaalsContact C-N 3.32Å; S268-D270 PolarHBondContact O-N 3.36Å | ||
| 269 | M | 40.4 | Very low | 37.3 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 88% | 0.877 | 76% | 0.758 | S | S | * | * | trans | -70.2 | 93 | 168.8 | -76 | -160.6 | 70.8 | 0 | 0 | 109.1 | P267 | P267-M269 PolarHBondContact O-N 2.73Š| ||
| 270 | D | 34.5 | Very low | 36.7 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 90% | 0.898 | 76% | 0.762 | S | S | * | * | trans | -143.4 | 136.1 | 146.9 | -141.5 | -14.8 | 0 | 0 | 0 | 108.9 | S268 | S268-D270 VanDerWaalsContact C-N 3.32Å; S268-D270 PolarHBondContact O-N 3.36Å | ||
| 271 | G | 38.6 | Very low | 36.1 | Very low | 60 Ų | 60 | 144.5 Ų | 144.5 | 62% | 0.619 | 78% | 0.776 | S | S | * | * | trans | 171.1 | 140.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 272 | Q | 36.9 | Very low | 35.3 | Very low | 190 Ų | 190 | 145.6 Ų | 145.6 | 89% | 0.888 | 79% | 0.786 | S | S | * | * | trans | -163.5 | 107.8 | 170.3 | -108.3 | 156.4 | 26.2 | 0 | 0 | 112.2 | ||||
| 273 | R | 35.6 | Very low | 35.3 | Very low | 258 Ų | 258 | 143.5 Ų | 143.5 | 97% | 0.974 | 78% | 0.784 | S | S | * | * | -173.8 | 121.5 | 121.6 | -105 | -173.2 | -75.6 | 176 | -4.4 | 110 | |||||
| 274 | G | 29.4 | Very low | 35 | Very low | 68 Ų | 68 | 143.3 Ų | 143.3 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | cis | 156.7 | 151.3 | -11.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 275 | L | 33 | Very low | 34.8 | Very low | 173 Ų | 173 | 143 Ų | 143 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -150.8 | 95.4 | 162.8 | -107.5 | 175.3 | 0 | 0 | 0 | 110.6 | ||||
| 276 | H | 31.2 | Very low | 34.6 | Very low | 156 Ų | 156 | 142.1 Ų | 142.1 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | trans | 25 | 105.1 | 141.8 | -175.9 | -71.9 | 0 | 0 | 0 | 119 | ||||
| 277 | L | 34.8 | Very low | 34.7 | Very low | 159 Ų | 159 | 143.5 Ų | 143.5 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -163.4 | 158.6 | 136 | -106.1 | 156.4 | 0 | 0 | 0 | 110.2 | ||||
| 278 | D | 32.3 | Very low | 34.6 | Very low | 116 Ų | 116 | 148.7 Ų | 148.7 | 62% | 0.62 | 80% | 0.799 | S | S | * | * | trans | -83.3 | 178.5 | -156.6 | -76.1 | -78.8 | 0 | 0 | 0 | 118 | ||||
| 279 | F | 32.3 | Very low | 34.3 | Very low | 197 Ų | 197 | 146.6 Ų | 146.6 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | 106.5 | 147.3 | 160.6 | -59.5 | -68.7 | 0 | 0 | 0 | 117.2 | ||||
| 280 | P | 38.1 | Very low | 34 | Very low | 116 Ų | 116 | 144.5 Ų | 144.5 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | -108.8 | 174.1 | -126.6 | 40.5 | -38.9 | 0 | 0 | 0 | 117.3 | |||||
| 281 | H | 32.1 | Very low | 34.2 | Very low | 194 Ų | 194 | 141.5 Ų | 141.5 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | trans | -59.7 | 152.4 | -172.1 | -48.8 | -82.1 | 0 | 0 | 0 | 117.2 | ||||
| 282 | S | 30 | Very low | 34.2 | Very low | 116 Ų | 116 | 146.6 Ų | 146.6 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | -134.7 | 147.1 | 142.2 | -169.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 283 | P | 37.4 | Very low | 34.1 | Very low | 92 Ų | 92 | 144.4 Ų | 144.4 | 60% | 0.597 | 79% | 0.788 | S | S | * | * | trans | -109.7 | -176.6 | -164.8 | 34.1 | -19.5 | 0 | 0 | 0 | 114.7 | ||||
| 284 | F | 31 | Very low | 33.8 | Very low | 201 Ų | 201 | 137.5 Ų | 137.5 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | 74.2 | 137.1 | -178.5 | -49.9 | -80.7 | 0 | 0 | 0 | 115 | ||||
| 285 | S | 33.2 | Very low | 34.3 | Very low | 99 Ų | 99 | 140.5 Ų | 140.5 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | cis | -136.1 | 122.9 | 0.7 | 58.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 286 | A | 34 | Very low | 34.4 | Very low | 102 Ų | 102 | 135.2 Ų | 135.2 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | -80.6 | 132.5 | 150.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 287 | I | 39 | Very low | 34.4 | Very low | 140 Ų | 140 | 134.4 Ų | 134.4 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | trans | -164.1 | 140.8 | 164.3 | -102.9 | 148.5 | 0 | 0 | 0 | 107.5 | ||||
| 288 | Y | 36 | Very low | 34.4 | Very low | 223 Ų | 223 | 134.4 Ų | 134.4 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | trans | 57.7 | 87.3 | -173.8 | -65.9 | -64.6 | 0 | 0 | 0 | 117.4 | ||||
| 289 | G | 30.8 | Very low | 34.5 | Very low | 72 Ų | 72 | 139.2 Ų | 139.2 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | -110.3 | 140.4 | 146.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 290 | V | 34.5 | Very low | 34.8 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | -139.9 | 113.3 | 159.8 | 178.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 291 | P | 38.3 | Very low | 35.1 | Very low | 105 Ų | 105 | 135.4 Ų | 135.4 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | trans | -87.4 | 143.1 | 177.4 | 33.6 | -32.6 | 0 | 0 | 0 | 111.8 | ||||
| 292 | I | 38.4 | Very low | 35.5 | Very low | 168 Ų | 168 | 132.9 Ų | 132.9 | 86% | 0.862 | 78% | 0.777 | S | S | * | * | trans | -112.4 | 139.3 | 161.4 | 50.6 | 173.5 | 0 | 0 | 0 | 108.8 | ||||
| 293 | N | 35.1 | Very low | 36.5 | Very low | 144 Ų | 144 | 134.3 Ų | 134.3 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | trans | -97 | 131.3 | -158.8 | -69.2 | -69.9 | 0 | 0 | 0 | 114.4 | ||||
| 294 | S | 29.7 | Very low | 37.1 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | 64 | 167.4 | 146.3 | -72 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 295 | P | 38.5 | Very low | 38 | Very low | 130 Ų | 130 | 130.3 Ų | 130.3 | 84% | 0.844 | 77% | 0.769 | S | S | * | * | cis | -102.8 | 166.5 | -12.9 | 37.7 | -28.5 | 0 | 0 | 0 | 112.3 | ||||
| 296 | G | 35.1 | Very low | 38.5 | Very low | 62 Ų | 62 | 130.7 Ų | 130.7 | 64% | 0.639 | 77% | 0.769 | S | S | * | * | trans | -113.3 | 172.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 297 | T | 31.3 | Very low | 38.6 | Very low | 140 Ų | 140 | 135.6 Ų | 135.6 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | trans | 67.7 | 142.4 | 171.2 | 72.2 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 298 | L | 35.6 | Very low | 39.1 | Very low | 158 Ų | 158 | 137.6 Ų | 137.6 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | cis | -128.4 | 150.8 | 8.2 | -68.5 | 160.6 | 0 | 0 | 0 | 110.7 | ||||
| 299 | Y | 34.9 | Very low | 39.6 | Very low | 217 Ų | 217 | 130.7 Ų | 130.7 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | trans | -87.9 | 131.7 | 158.3 | -130.2 | -88.7 | 0 | 0 | 0 | 107.7 | T301 | Y299-T301 PolarHBondContact O-N 2.65Š| ||
| 300 | P | 37.6 | Very low | 40.5 | Very low | 99 Ų | 99 | 132.6 Ų | 132.6 | 64% | 0.643 | 76% | 0.755 | S | S | * | * | trans | -66.1 | 125.3 | 176.6 | -21.4 | 33.6 | 0 | 0 | 0 | 111.4 | D302 | P300-D302 PolarHBondContact O-N 2.97Š| ||
| 301 | T | 44.9 | Very low | 41.2 | Very low | 134 Ų | 134 | 132.7 Ų | 132.7 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | trans | -90.8 | 46.8 | 175.2 | -44.1 | 0 | 0 | 0 | 0 | 110.7 | Y299 | Y299-T301 PolarHBondContact O-N 2.65Š| ||
| 302 | D | 39.4 | Very low | 41.3 | Very low | 141 Ų | 141 | 130.6 Ų | 130.6 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -99.4 | 119.2 | 176.7 | -71 | -59.8 | 0 | 0 | 0 | 109.8 | P300 | P300-D302 PolarHBondContact O-N 2.97Š|
| 303 | L | 51.6 | Low | 41.1 | Very low | 147 Ų | 147 | 131.9 Ų | 131.9 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 146.4 | 167.2 | -76.3 | 73.9 | 0 | 0 | 0 | 108.5 | ||
| 304 | P | 50 | Low | 40.8 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 135.2 | 169.2 | 26.7 | -33.9 | 0 | 0 | 0 | 109.3 | ||
| 305 | P | 49.6 | Very low | 41.2 | Very low | 91 Ų | 91 | 132 Ų | 132 | 59% | 0.591 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 152.7 | 179.1 | 26.6 | -34.5 | 0 | 0 | 0 | 111 | ||
| 306 | P | 43.9 | Very low | 40.7 | Very low | 107 Ų | 107 | 130.7 Ų | 130.7 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 155.6 | 172.4 | 27.9 | -34.7 | 0 | 0 | 0 | 110.8 | E308 | P306-E308 PolarHBondContact O-N 2.81Š|
| 307 | Y | 36.9 | Very low | 40.4 | Very low | 204 Ų | 204 | 133.7 Ų | 133.7 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -64.1 | 2.9 | -165.3 | -171.7 | -105 | 0 | 0 | 0 | 116.3 | ||
| 308 | E | 48.5 | Very low | 40.4 | Very low | 182 Ų | 182 | 135.6 Ų | 135.6 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -88.2 | -4.6 | -177.8 | -58.3 | -168.9 | 152.5 | 0 | 0 | 113.7 | P306 | P306-E308 PolarHBondContact O-N 2.81Š|
| 309 | S | 47.8 | Very low | 40 | Very low | 79 Ų | 79 | 134.7 Ų | 134.7 | 55% | 0.552 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -97.6 | 11.9 | 179.3 | 74.1 | 0 | 0 | 0 | 0 | 115.3 | ||
| 310 | V | 48.9 | Very low | 39.7 | Very low | 112 Ų | 112 | 129.5 Ų | 129.5 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -106.7 | 0.5 | -179.1 | -175.5 | 0 | 0 | 0 | 0 | 112.3 | ||
| 311 | V | 49.1 | Very low | 39.3 | Very low | 135 Ų | 135 | 130.7 Ų | 130.7 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -121.3 | 101.3 | 173.3 | -177.9 | 0 | 0 | 0 | 0 | 109.7 | ||
| 312 | G | 41.1 | Very low | 38.2 | Very low | 61 Ų | 61 | 128.8 Ų | 128.8 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | trans | 123.4 | 98.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 313 | H | 33.3 | Very low | 37.9 | Very low | 196 Ų | 196 | 129.6 Ų | 129.6 | 91% | 0.907 | 76% | 0.761 | S | S | * | * | -179.4 | 127 | 127.7 | -97.1 | 91.6 | 0 | 0 | 0 | 109.6 | |||||
| 314 | T | 29.2 | Very low | 36.8 | Very low | 134 Ų | 134 | 129.7 Ų | 129.7 | 82% | 0.822 | 76% | 0.758 | S | S | * | * | trans | -127.8 | 150.6 | 160.4 | 41.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 315 | P | 38.3 | Very low | 35.8 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 154.9 | -141 | 31.9 | -37.3 | 0 | 0 | 0 | 115.4 | ||
| 316 | A | 28.6 | Very low | 34.7 | Very low | 102 Ų | 102 | 134.8 Ų | 134.8 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -74 | 141.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 317 | S | 28.4 | Very low | 33.9 | Very low | 125 Ų | 125 | 133.5 Ų | 133.5 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 151.4 | 162.4 | -166.9 | 0 | 0 | 0 | 0 | 110.1 | ||
| 318 | Q | 31.6 | Very low | 33.4 | Very low | 180 Ų | 180 | 130 Ų | 130 | 84% | 0.841 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 150.9 | -173.4 | -57.4 | 172.6 | 14.9 | 0 | 0 | 111.8 | ||
| 319 | V | 26.7 | Very low | 32.3 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | trans | 153.9 | 139 | 152.9 | 150.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 320 | T | 28.4 | Very low | 31.2 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 66% | 0.656 | 77% | 0.774 | S | S | * | * | cis | -163.4 | 139.5 | -24 | -83 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 321 | T | 28.2 | Very low | 30.1 | Very low | 124 Ų | 124 | 131.6 Ų | 131.6 | 76% | 0.761 | 78% | 0.777 | S | S | * | * | trans | 8.5 | 143.3 | 164.9 | 66.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 322 | S | 23.5 | Very low | 29 | Very low | 95 Ų | 95 | 132.5 Ų | 132.5 | 66% | 0.664 | 78% | 0.777 | S | S | * | * | 177 | 166.6 | 62.2 | 60.3 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 323 | I | 33.3 | Very low | 28.2 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | trans | 63 | 118.5 | 161.7 | -62.4 | 161.7 | 0 | 0 | 0 | 115.6 | ||||
| 324 | E | 27 | Very low | 27.9 | Very low | 150 Ų | 150 | 131.7 Ų | 131.7 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | cis | 109.3 | 136.7 | 23.8 | -176.6 | 164.7 | 134.1 | 0 | 0 | 113.6 | ||||
| 325 | Q | 28.9 | Very low | 27.9 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | trans | 73.8 | 145.1 | 167.8 | -83.1 | 165.5 | 42.4 | 0 | 0 | 117.8 | ||||
| 326 | Q | 27.5 | Very low | 27.4 | Very low | 168 Ų | 168 | 136.5 Ų | 136.5 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | cis | -157.3 | 163.2 | -6.8 | -150.5 | 168.2 | -9.8 | 0 | 0 | 113.2 | ||||
| 327 | A | 27.4 | Very low | 27.4 | Very low | 81 Ų | 81 | 137 Ų | 137 | 67% | 0.669 | 76% | 0.761 | S | S | * | * | trans | 9.3 | 127.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 328 | T | 25.7 | Very low | 27.4 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | 13.8 | 126 | 119.4 | -40.7 | 0 | 0 | 0 | 0 | 120 | |||||
| 329 | E | 25.6 | Very low | 27.2 | Very low | 192 Ų | 192 | 133 Ų | 133 | 90% | 0.897 | 75% | 0.754 | S | S | * | * | -169.1 | -168.3 | 118.6 | -107.6 | -167.5 | 145.8 | 0 | 0 | 113.7 | |||||
| 330 | S | 24.8 | Very low | 27.1 | Very low | 108 Ų | 108 | 129.7 Ų | 129.7 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | trans | -135.9 | -179.2 | -158.2 | 71.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 331 | S | 25.5 | Very low | 26.9 | Very low | 105 Ų | 105 | 134.8 Ų | 134.8 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | 73.2 | 125.6 | 179.6 | -164.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 332 | L | 25.6 | Very low | 26.7 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 81% | 0.812 | 76% | 0.755 | S | S | * | * | cis | 93.4 | 133.2 | 38 | -174.5 | 144.1 | 0 | 0 | 0 | 114 | ||||
| 333 | C | 25 | Very low | 27 | Very low | 99 Ų | 99 | 133.8 Ų | 133.8 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | trans | 85.9 | 119.3 | 175.3 | -90.2 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 334 | D | 26.6 | Very low | 26.8 | Very low | 140 Ų | 140 | 135 Ų | 135 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | trans | 60.1 | 145.3 | 142.1 | -69 | -82.4 | 0 | 0 | 0 | 120.8 | ||||
| 335 | R | 28.6 | Very low | 26.6 | Very low | 229 Ų | 229 | 132.4 Ų | 132.4 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | cis | -160.3 | 155.8 | 32.8 | -166.7 | 164.3 | 154.7 | 93.4 | -7.4 | 113.8 | ||||
| 336 | N | 28.1 | Very low | 26.4 | Very low | 131 Ų | 131 | 131.1 Ų | 131.1 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | -54.1 | 153.9 | 172 | 178.6 | 32.6 | 0 | 0 | 0 | 115.7 | ||||
| 337 | T | 29.9 | Very low | 26.5 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | 167.2 | 104.4 | 125.3 | -66.7 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 338 | T | 26.9 | Very low | 26.4 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 73% | 0.73 | 78% | 0.776 | S | S | * | * | trans | 67.1 | 136.8 | 136 | -55.4 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 339 | A | 27.6 | Very low | 26.5 | Very low | 102 Ų | 102 | 132 Ų | 132 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | 72 | 145.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 340 | G | 24.7 | Very low | 26.6 | Very low | 70 Ų | 70 | 127.4 Ų | 127.4 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | cis | -175.5 | -176.4 | -2.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 341 | F | 23.8 | Very low | 26.7 | Very low | 213 Ų | 213 | 127.6 Ų | 127.6 | 93% | 0.934 | 77% | 0.772 | S | S | * | * | trans | -34.1 | 150.1 | 171.7 | -77.5 | -104.8 | 0 | 0 | 0 | 114.6 | ||||
| 342 | S | 23.8 | Very low | 26.7 | Very low | 90 Ų | 90 | 130 Ų | 130 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | cis | -173 | 175.8 | 39.7 | -154.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 343 | T | 30.4 | Very low | 26.8 | Very low | 109 Ų | 109 | 131.4 Ų | 131.4 | 67% | 0.669 | 78% | 0.781 | S | S | * | * | trans | 5 | 150 | 143.5 | 56.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 344 | Q | 28.3 | Very low | 26.8 | Very low | 182 Ų | 182 | 133.3 Ų | 133.3 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | cis | -162.8 | -173.3 | 20.8 | -135 | 170.3 | 16.5 | 0 | 0 | 113.5 | ||||
| 345 | A | 23 | Very low | 26.8 | Very low | 96 Ų | 96 | 131.8 Ų | 131.8 | 79% | 0.793 | 79% | 0.789 | S | S | * | * | trans | -54.2 | 162 | 178.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 346 | S | 26.3 | Very low | 26.7 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 84% | 0.839 | 79% | 0.793 | S | S | * | * | trans | -154.8 | 162.3 | 142.1 | -162.8 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 347 | V | 29.2 | Very low | 26.9 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | -94.1 | 135.5 | -164.7 | -81.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 348 | D | 24.8 | Very low | 26.9 | Very low | 156 Ų | 156 | 129.7 Ų | 129.7 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | 61.8 | 169 | 117.7 | -143.4 | -9.8 | 0 | 0 | 0 | 122.1 | |||||
| 349 | S | 28 | Very low | 27.2 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | 85.8 | 131.3 | 168.3 | -60.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 350 | A | 27.8 | Very low | 27.1 | Very low | 97 Ų | 97 | 134.3 Ų | 134.3 | 80% | 0.802 | 80% | 0.803 | S | S | * | * | trans | -114.1 | 164.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 351 | S | 26.5 | Very low | 27.4 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -158.9 | 110.9 | 156.9 | -67.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 352 | L | 26.4 | Very low | 27.8 | Very low | 156 Ų | 156 | 134.4 Ų | 134.4 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | 54.6 | 112.3 | 93.6 | -75 | 174.9 | 0 | 0 | 0 | 115.3 | |||||
| 353 | M | 27.9 | Very low | 28.1 | Very low | 185 Ų | 185 | 136.6 Ų | 136.6 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | trans | -154.5 | 157.6 | 138.2 | -85.3 | -46.6 | 142.6 | 0 | 0 | 111.5 | ||||
| 354 | V | 24.8 | Very low | 28 | Very low | 138 Ų | 138 | 135.5 Ų | 135.5 | 84% | 0.836 | 80% | 0.797 | S | S | * | * | trans | -66.5 | 158.5 | -163.7 | 174.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 355 | S | 26.7 | Very low | 28 | Very low | 108 Ų | 108 | 132 Ų | 132 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | trans | -71 | 157.4 | 176.2 | -30.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 356 | E | 25.4 | Very low | 28.3 | Very low | 200 Ų | 200 | 132.7 Ų | 132.7 | 94% | 0.935 | 79% | 0.792 | S | S | * | * | -150.9 | -178.8 | 124.1 | -157.7 | 151.1 | 116.4 | 0 | 0 | 109.9 | |||||
| 357 | V | 33.1 | Very low | 28.4 | Very low | 135 Ų | 135 | 135 Ų | 135 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -106.7 | 147.7 | -163.4 | 80.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 358 | A | 29.1 | Very low | 28.6 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | trans | -151.4 | 141.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 359 | D | 33.2 | Very low | 28.9 | Very low | 140 Ų | 140 | 136.7 Ų | 136.7 | 75% | 0.749 | 79% | 0.793 | S | S | * | * | trans | -91.1 | 144.9 | 175.7 | -158.6 | -65.5 | 0 | 0 | 0 | 110.2 | ||||
| 360 | Q | 26.7 | Very low | 28.8 | Very low | 178 Ų | 178 | 137.3 Ų | 137.3 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -148.3 | 93.9 | 179 | -166.7 | 90.9 | 83.9 | 0 | 0 | 109.2 | Q362 | Q360-Q362 PolarHBondContact O-N 2.91Š| ||
| 361 | D | 29.2 | Very low | 28.9 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 60% | 0.599 | 80% | 0.798 | S | S | * | * | trans | -66.8 | 125.5 | 175.1 | -116.8 | -33.5 | 0 | 0 | 0 | 110.8 | K723 | D361-K723 IonicContact OD1-NZ 2.81Å; D361-K723 PolarHBondContact OD1-NZ 2.92Å; D361-K723 IonicContact OD2-NZ 2.65Å; D361-K723 PolarHBondContact OD2-NZ 2.75Å | ||
| 362 | Q | 32.9 | Very low | 29.2 | Very low | 172 Ų | 172 | 140.4 Ų | 140.4 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -115.2 | 102.9 | -179.8 | -164.6 | 161.4 | 44.5 | 0 | 0 | 110.4 | Q360 C364 | Q360-Q362 PolarHBondContact O-N 2.91Å; Q362-C364 PolarHBondContact O-N 3.43Å | ||
| 363 | T | 31.1 | Very low | 29.5 | Very low | 136 Ų | 136 | 141.7 Ų | 141.7 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | -66.2 | 115.5 | -178.4 | -50.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 364 | C | 27.8 | Very low | 29.6 | Very low | 87 Ų | 87 | 139.1 Ų | 139.1 | 59% | 0.588 | 80% | 0.795 | S | S | * | * | trans | -84.5 | 115.1 | 174.6 | -170.9 | 0 | 0 | 0 | 0 | 110.2 | Q362 C720 | Q362-C364 PolarHBondContact O-N 3.43Å; C364-C720 HydrophobicContact CB-CB 4.44Å | ||
| 365 | S | 27.8 | Very low | 30 | Very low | 109 Ų | 109 | 140.9 Ų | 140.9 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | trans | -105.2 | 146.9 | 167.4 | -169.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 366 | S | 28.8 | Very low | 30 | Very low | 110 Ų | 110 | 138.7 Ų | 138.7 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | trans | -105.2 | 132.4 | 178.9 | -167.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 367 | E | 28.8 | Very low | 30.3 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | trans | -121.5 | 127.2 | 171.6 | 60.6 | -165.6 | 114.1 | 0 | 0 | 109.8 | ||||
| 368 | D | 33.7 | Very low | 30 | Very low | 161 Ų | 161 | 135.7 Ų | 135.7 | 86% | 0.861 | 78% | 0.784 | S | S | * | * | trans | -87.5 | 130.5 | 177.4 | -74.9 | -63 | 0 | 0 | 0 | 110 | ||||
| 369 | L | 30.6 | Very low | 30.1 | Very low | 158 Ų | 158 | 136.3 Ų | 136.3 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | -129.5 | 132.6 | 172.6 | -84.4 | 172.6 | 0 | 0 | 0 | 112.3 | ||||
| 370 | C | 27.2 | Very low | 29.9 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 87% | 0.865 | 78% | 0.779 | S | S | * | * | trans | -79.4 | 140.5 | 169.3 | -65.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 371 | S | 29.4 | Very low | 30.8 | Very low | 120 Ų | 120 | 131.9 Ų | 131.9 | 84% | 0.839 | 78% | 0.778 | S | S | * | * | trans | -109.9 | 139.7 | 161.4 | -70.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 372 | L | 33.3 | Very low | 30.8 | Very low | 153 Ų | 153 | 136.2 Ų | 136.2 | 80% | 0.801 | 79% | 0.792 | S | S | * | * | trans | -133.6 | 109.6 | -178.4 | -175.6 | 164 | 0 | 0 | 0 | 108 | ||||
| 373 | E | 31.5 | Very low | 30.6 | Very low | 182 Ų | 182 | 131.3 Ų | 131.3 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | trans | -123.1 | 108.2 | 175.6 | -65 | -175.1 | 105.6 | 0 | 0 | 107.4 | ||||
| 374 | V | 31.3 | Very low | 30.6 | Very low | 131 Ų | 131 | 131 Ų | 131 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | 88.4 | 132.3 | 68.4 | 168.2 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 375 | Q | 31.6 | Very low | 30.6 | Very low | 175 Ų | 175 | 134.5 Ų | 134.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 129.5 | -163.1 | -172.1 | 77.9 | 56.1 | 0 | 0 | 112.7 | ||
| 376 | G | 28.5 | Very low | 30.6 | Very low | 62 Ų | 62 | 137.4 Ų | 137.4 | 64% | 0.639 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 136.8 | 157.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 377 | S | 29.9 | Very low | 30.6 | Very low | 115 Ų | 115 | 139.4 Ų | 139.4 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 154.4 | -177.6 | -54.1 | 0 | 0 | 0 | 0 | 112.9 | ||
| 378 | D | 28.5 | Very low | 30.7 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -149.2 | 167.3 | 140.4 | -135 | -37.5 | 0 | 0 | 0 | 112.9 | ||||
| 379 | S | 30.7 | Very low | 31.3 | Very low | 109 Ų | 109 | 133 Ų | 133 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -78.8 | 160.7 | -150.3 | 49.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 380 | S | 29.6 | Very low | 31.3 | Very low | 97 Ų | 97 | 131 Ų | 131 | 68% | 0.678 | 79% | 0.791 | S | S | * | * | trans | -116.9 | 152.2 | 168.5 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 381 | P | 43.8 | Very low | 31.6 | Very low | 127 Ų | 127 | 132.6 Ų | 132.6 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | -143.6 | 153.3 | 103.8 | 36.2 | -21.6 | 0 | 0 | 0 | 115.4 | |||||
| 382 | F | 29.8 | Very low | 31.7 | Very low | 203 Ų | 203 | 130.7 Ų | 130.7 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | trans | -79.5 | 152.4 | 170.5 | -112.4 | -99.3 | 0 | 0 | 0 | 112.6 | ||||
| 383 | G | 29.4 | Very low | 31.5 | Very low | 69 Ų | 69 | 128.7 Ų | 128.7 | 71% | 0.711 | 79% | 0.79 | S | S | * | * | trans | -126.2 | 107.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 384 | T | 29.8 | Very low | 31.2 | Very low | 131 Ų | 131 | 125.2 Ų | 125.2 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -26.8 | 135.9 | 166.2 | -17.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 385 | L | 28.8 | Very low | 31.2 | Very low | 159 Ų | 159 | 126 Ų | 126 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | -163.3 | 164.3 | 66.1 | -131.9 | 113.9 | 0 | 0 | 0 | 114.5 | |||||
| 386 | Q | 27.6 | Very low | 31 | Very low | 170 Ų | 170 | 122.2 Ų | 122.2 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | trans | -94.8 | 149.4 | 174.1 | -62.4 | 174.3 | -19.2 | 0 | 0 | 112.8 | ||||
| 387 | T | 29.4 | Very low | 31 | Very low | 152 Ų | 152 | 126.4 Ų | 126.4 | 93% | 0.933 | 79% | 0.789 | S | S | * | * | -174.1 | 166.3 | 121.1 | 19 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 388 | A | 31.4 | Very low | 31 | Very low | 92 Ų | 92 | 128.5 Ų | 128.5 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | trans | -136.3 | -161.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 389 | P | 44.4 | Very low | 31 | Very low | 102 Ų | 102 | 127.6 Ų | 127.6 | 66% | 0.662 | 78% | 0.781 | S | S | * | * | cis | -133.3 | -164.1 | -15.6 | 40.2 | -21.2 | 0 | 0 | 0 | 112.9 | ||||
| 390 | T | 32.4 | Very low | 30.8 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | 62 | 147.2 | 157.9 | 50.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 391 | D | 31.9 | Very low | 30.7 | Very low | 162 Ų | 162 | 130.5 Ų | 130.5 | 87% | 0.866 | 79% | 0.793 | S | S | * | * | cis | -154.7 | 155.4 | -7.9 | -114 | -31 | 0 | 0 | 0 | 109.8 | ||||
| 392 | G | 31.6 | Very low | 30.1 | Very low | 80 Ų | 80 | 135.8 Ų | 135.8 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | 148.6 | 126.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 393 | S | 30.4 | Very low | 30.3 | Very low | 112 Ų | 112 | 133.9 Ų | 133.9 | 78% | 0.783 | 80% | 0.795 | S | S | * | * | trans | -125.1 | 148.5 | -168.2 | -167.2 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 394 | C | 24.8 | Very low | 30.1 | Very low | 109 Ų | 109 | 136.5 Ų | 136.5 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | trans | 51.5 | 113.2 | 161.2 | -71.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 395 | T | 31.6 | Very low | 30.3 | Very low | 146 Ų | 146 | 136.5 Ų | 136.5 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | 179 | 158.1 | 114.4 | 29.5 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 396 | S | 27.7 | Very low | 30.4 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | cis | 167.1 | 158.6 | -18.9 | -176.1 | 0 | 0 | 0 | 0 | 105.3 | ||||
| 397 | L | 28.4 | Very low | 30.5 | Very low | 149 Ų | 149 | 136.8 Ų | 136.8 | 78% | 0.78 | 80% | 0.801 | S | S | * | * | trans | 59.8 | 134 | -174.8 | -87.3 | 108.2 | 0 | 0 | 0 | 116.1 | ||||
| 398 | E | 29.9 | Very low | 30.5 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | cis | 94.7 | 130.2 | 20.1 | -151.4 | -166.7 | -148.8 | 0 | 0 | 116.5 | ||||
| 399 | L | 28.5 | Very low | 30.5 | Very low | 139 Ų | 139 | 144.1 Ų | 144.1 | 73% | 0.728 | 80% | 0.798 | S | S | * | * | trans | 80.3 | 123 | 154.9 | -124.4 | 70.5 | 0 | 0 | 0 | 122.9 | ||||
| 400 | C | 26 | Very low | 29.7 | Very low | 116 Ų | 116 | 142.4 Ų | 142.4 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | 18.8 | 142.5 | 148.6 | -64.1 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 401 | T | 27.3 | Very low | 29.9 | Very low | 151 Ų | 151 | 145.2 Ų | 145.2 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | trans | -146.9 | 158.2 | 137.1 | -14.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 402 | R | 30.5 | Very low | 30.8 | Very low | 238 Ų | 238 | 142.5 Ų | 142.5 | 90% | 0.898 | 80% | 0.797 | S | S | * | * | trans | -102.1 | 148.6 | 175 | -76.5 | -180 | 173.2 | 173.6 | -1.9 | 110.7 | ||||
| 403 | L | 33.8 | Very low | 30.7 | Very low | 164 Ų | 164 | 146.3 Ų | 146.3 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | 47.8 | 126.7 | 141.8 | -149.8 | 79.3 | 0 | 0 | 0 | 119.7 | ||||
| 404 | S | 26.7 | Very low | 30.8 | Very low | 124 Ų | 124 | 147 Ų | 147 | 87% | 0.867 | 79% | 0.793 | S | S | * | * | trans | -157.1 | 148.2 | 155.7 | -88.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 405 | T | 32.5 | Very low | 31.2 | Very low | 131 Ų | 131 | 149.3 Ų | 149.3 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -124 | 118.1 | 178.2 | 46.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 406 | R | 31.7 | Very low | 31.1 | Very low | 229 Ų | 229 | 147.4 Ų | 147.4 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | trans | 51.6 | 103.9 | 143.9 | -170.8 | -174.1 | -70.5 | -166.1 | -1.2 | 119.4 | ||||
| 407 | C | 29.2 | Very low | 31.2 | Very low | 106 Ų | 106 | 154.2 Ų | 154.2 | 72% | 0.716 | 81% | 0.808 | S | S | * | * | trans | 64.5 | 155.4 | 142.2 | -57.8 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 408 | H | 30.5 | Very low | 32.1 | Very low | 165 Ų | 165 | 152 Ų | 152 | 76% | 0.764 | 80% | 0.803 | S | S | * | * | cis | -155.3 | 143.7 | 4 | -125.8 | -43.9 | 0 | 0 | 0 | 111.6 | ||||
| 409 | R | 31 | Very low | 32.2 | Very low | 233 Ų | 233 | 149.1 Ų | 149.1 | 88% | 0.879 | 80% | 0.8 | S | S | * | * | trans | 55.3 | 84.7 | 137.4 | -156.6 | -178.1 | -156.8 | 164.5 | 4.8 | 121.6 | ||||
| 410 | G | 28.1 | Very low | 32.4 | Very low | 65 Ų | 65 | 149.3 Ų | 149.3 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | 85.3 | 107 | 105.3 | 0 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 411 | M | 36.4 | Very low | 32.8 | Very low | 175 Ų | 175 | 151 Ų | 151 | 86% | 0.862 | 81% | 0.808 | S | S | * | * | trans | 75.1 | 159.4 | 136.9 | -110.5 | 34.9 | 79 | 0 | 0 | 119 | ||||
| 412 | P | 49.6 | Very low | 33 | Very low | 104 Ų | 104 | 147.6 Ų | 147.6 | 68% | 0.675 | 80% | 0.803 | S | S | * | * | -142.5 | -171 | -101.6 | 41.9 | -21.4 | 0 | 0 | 0 | 117.3 | |||||
| 413 | H | 29.9 | Very low | 33 | Very low | 161 Ų | 161 | 146.3 Ų | 146.3 | 75% | 0.745 | 81% | 0.805 | S | S | * | * | trans | 104.7 | 151.4 | 144.1 | -136.9 | -71.3 | 0 | 0 | 0 | 119.9 | ||||
| 414 | T | 32.4 | Very low | 33 | Very low | 127 Ų | 127 | 143 Ų | 143 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | trans | 87.9 | 130.1 | 166.9 | 63.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 415 | D | 33 | Very low | 33.1 | Very low | 156 Ų | 156 | 145.9 Ų | 145.9 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | -99.5 | 149.8 | -178.9 | -44.1 | -106.8 | 0 | 0 | 0 | 111.9 | ||||
| 416 | A | 30.4 | Very low | 33 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 88% | 0.876 | 79% | 0.789 | S | S | * | * | trans | -168.7 | 155.9 | 146.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 417 | R | 29.1 | Very low | 33.1 | Very low | 240 Ų | 240 | 138.6 Ų | 138.6 | 91% | 0.906 | 79% | 0.785 | S | S | * | * | trans | -141.2 | 168.8 | 170.5 | -124.6 | -163.5 | 171 | -173.7 | -2.9 | 105.9 | ||||
| 418 | P | 48.3 | Very low | 33.2 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 68% | 0.675 | 79% | 0.793 | S | S | * | * | cis | -131.9 | -162.6 | -23.7 | 33.1 | -11.3 | 0 | 0 | 0 | 112.4 | ||||
| 419 | S | 31.9 | Very low | 33.5 | Very low | 98 Ų | 98 | 141.9 Ų | 141.9 | 69% | 0.685 | 80% | 0.799 | S | S | * | * | trans | 94.1 | 104.9 | 149.1 | -60.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 420 | D | 32 | Very low | 33.5 | Very low | 143 Ų | 143 | 139.5 Ų | 139.5 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | 46.9 | 114.9 | 128.9 | -45.1 | -22.3 | 0 | 0 | 0 | 122.5 | |||||
| 421 | T | 35.8 | Very low | 33.4 | Very low | 151 Ų | 151 | 144 Ų | 144 | 93% | 0.926 | 81% | 0.807 | S | S | * | * | 167.6 | 147.9 | 103.3 | 36.4 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 422 | G | 30.8 | Very low | 33 | Very low | 79 Ų | 79 | 140.3 Ų | 140.3 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | trans | 130.6 | 115.1 | 162.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 423 | F | 29.9 | Very low | 32.1 | Very low | 212 Ų | 212 | 143.8 Ų | 143.8 | 93% | 0.93 | 81% | 0.81 | S | S | * | * | trans | -63.8 | 163.2 | 161.6 | -95 | -144.4 | 0 | 0 | 0 | 111.8 | ||||
| 424 | S | 34.6 | Very low | 32.1 | Very low | 95 Ų | 95 | 144.1 Ų | 144.1 | 66% | 0.664 | 81% | 0.812 | S | S | * | * | cis | -164.6 | 160.4 | -11.4 | -100.9 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 425 | E | 28.5 | Very low | 31.8 | Very low | 184 Ų | 184 | 147.7 Ų | 147.7 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | -169.8 | 175 | 87.5 | -169.7 | 161.8 | 98.6 | 0 | 0 | 111.3 | |||||
| 426 | S | 30.5 | Very low | 31.5 | Very low | 98 Ų | 98 | 145.5 Ų | 145.5 | 69% | 0.685 | 81% | 0.808 | S | S | * | * | trans | -51.8 | 159 | -173 | 60.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 427 | S | 34.3 | Very low | 32.6 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | cis | -150.9 | 153.7 | 32.2 | -60.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 428 | H | 30.4 | Very low | 32.6 | Very low | 194 Ų | 194 | 140.3 Ų | 140.3 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | trans | -114 | 147.4 | 170.2 | -82.6 | -89.6 | 0 | 0 | 0 | 112.2 | ||||
| 429 | T | 37.2 | Very low | 31.6 | Very low | 145 Ų | 145 | 146.2 Ų | 146.2 | 89% | 0.89 | 80% | 0.799 | S | S | * | * | trans | -112.2 | 143.1 | 156.8 | 48.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 430 | Q | 30.1 | Very low | 31.6 | Very low | 184 Ų | 184 | 146.4 Ų | 146.4 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -133.9 | 138.6 | -174.5 | 178.9 | 179.4 | -1 | 0 | 0 | 108.9 | ||||
| 431 | D | 27 | Very low | 31.5 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -133 | 112.7 | -176.4 | -140.5 | -29.6 | 0 | 0 | 0 | 110.2 | ||||
| 432 | S | 28.4 | Very low | 31.2 | Very low | 99 Ų | 99 | 144.4 Ų | 144.4 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | trans | -178.6 | 131.8 | 176.7 | -79.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 433 | L | 28.8 | Very low | 31.2 | Very low | 176 Ų | 176 | 145.8 Ų | 145.8 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | -159.9 | 154.7 | 145.2 | -140.6 | 73.6 | 0 | 0 | 0 | 113 | ||||
| 434 | E | 30.6 | Very low | 31.1 | Very low | 169 Ų | 169 | 144.1 Ų | 144.1 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | trans | -110.3 | -164.1 | 171.3 | -97.1 | -137.5 | 87.6 | 0 | 0 | 112.1 | ||||
| 435 | R | 26.6 | Very low | 30.8 | Very low | 201 Ų | 201 | 144.2 Ų | 144.2 | 76% | 0.758 | 77% | 0.767 | S | S | * | * | trans | -102.3 | 149 | -154.5 | 141.5 | -161.9 | -67.1 | 117.6 | -5.8 | 114.4 | ||||
| 436 | S | 27 | Very low | 30.8 | Very low | 110 Ų | 110 | 142.2 Ų | 142.2 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | trans | 84.6 | 159.7 | 155.3 | -78.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 437 | P | 52.7 | Low | 30.8 | Very low | 104 Ų | 104 | 143.5 Ų | 143.5 | 68% | 0.675 | 76% | 0.761 | S | S | * | * | trans | -142.4 | -170.8 | -138 | 44 | -23.8 | 0 | 0 | 0 | 119.6 | ||||
| 438 | D | 29.5 | Very low | 30.5 | Very low | 134 Ų | 134 | 144.6 Ų | 144.6 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | trans | 109.9 | 146.7 | 147.7 | -63.5 | -23.5 | 0 | 0 | 0 | 122.6 | ||||
| 439 | W | 27.8 | Very low | 30.4 | Very low | 228 Ų | 228 | 142.3 Ų | 142.3 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | trans | 75.9 | 103.5 | 168.7 | -61.2 | 95.1 | 0 | 0 | 0 | 120.1 | ||||
| 440 | S | 30.2 | Very low | 30 | Very low | 101 Ų | 101 | 142.5 Ų | 142.5 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | 87.7 | 150.2 | 91.3 | 72 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 441 | S | 30.2 | Very low | 29.9 | Very low | 87 Ų | 87 | 143.7 Ų | 143.7 | 61% | 0.608 | 74% | 0.737 | S | S | * | * | cis | -162.4 | 167 | 17.7 | -162.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 442 | E | 29.3 | Very low | 30 | Very low | 165 Ų | 165 | 140.4 Ų | 140.4 | 77% | 0.771 | 73% | 0.726 | S | S | * | * | trans | 68.4 | 151.1 | 148 | -86.1 | 160 | 107.6 | 0 | 0 | 123.1 | ||||
| 443 | N | 31.7 | Very low | 30 | Very low | 109 Ų | 109 | 140 Ų | 140 | 58% | 0.583 | 73% | 0.729 | S | S | * | * | cis | -163.7 | 169 | -6.2 | -149 | -25.6 | 0 | 0 | 0 | 114.2 | ||||
| 444 | F | 28.2 | Very low | 30 | Very low | 177 Ų | 177 | 140.1 Ų | 140.1 | 78% | 0.776 | 72% | 0.724 | S | S | * | * | trans | 62.5 | 148 | 165.1 | -70.5 | -69.1 | 0 | 0 | 0 | 120.4 | ||||
| 445 | S | 27.8 | Very low | 29.8 | Very low | 96 Ų | 96 | 138.3 Ų | 138.3 | 67% | 0.671 | 72% | 0.72 | S | S | * | * | cis | -150.8 | 142.8 | -1 | -89 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 446 | N | 28.8 | Very low | 30 | Very low | 143 Ų | 143 | 135.4 Ų | 135.4 | 77% | 0.765 | 73% | 0.725 | S | S | * | * | 53.2 | 143.4 | 93.7 | -93.5 | -52.2 | 0 | 0 | 0 | 117.4 | |||||
| 447 | L | 30.3 | Very low | 30.2 | Very low | 124 Ų | 124 | 138.7 Ų | 138.7 | 65% | 0.649 | 73% | 0.728 | S | S | * | * | cis | -156 | -172.9 | 17 | -147.5 | 132.1 | 0 | 0 | 0 | 112.4 | ||||
| 448 | D | 28.4 | Very low | 29.5 | Very low | 133 Ų | 133 | 139 Ų | 139 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | trans | 74 | 149.9 | 161 | -66.2 | -63.9 | 0 | 0 | 0 | 120.4 | ||||
| 449 | Q | 27.3 | Very low | 29.3 | Very low | 145 Ų | 145 | 138.1 Ų | 138.1 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | cis | -164.3 | 162.8 | -25 | -178.5 | 48.6 | 29.8 | 0 | 0 | 110.4 | ||||
| 450 | E | 28.5 | Very low | 29.3 | Very low | 149 Ų | 149 | 136.2 Ų | 136.2 | 70% | 0.696 | 73% | 0.734 | S | S | * | * | trans | -67.6 | 156.3 | 173.9 | -57 | 168.1 | 55.5 | 0 | 0 | 114.8 | ||||
| 451 | Y | 28.4 | Very low | 29.3 | Very low | 210 Ų | 210 | 140.2 Ų | 140.2 | 82% | 0.824 | 74% | 0.741 | S | S | * | * | -176.5 | -165.6 | 101.9 | -148.7 | -116.3 | 0 | 0 | 0 | 113.4 | |||||
| 452 | S | 28.6 | Very low | 29.3 | Very low | 89 Ų | 89 | 144.3 Ų | 144.3 | 62% | 0.622 | 76% | 0.755 | S | S | * | * | trans | -109.6 | 169.1 | -159.9 | -58.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 453 | A | 30 | Very low | 29.2 | Very low | 90 Ų | 90 | 147.6 Ų | 147.6 | 74% | 0.744 | 76% | 0.761 | S | S | * | * | trans | 97.5 | 120.6 | 139.4 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 454 | E | 27.4 | Very low | 28.9 | Very low | 178 Ų | 178 | 146.8 Ų | 146.8 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | 84.9 | 149.1 | 131.3 | -148.5 | 154.4 | 133.9 | 0 | 0 | 122.9 | ||||
| 455 | N | 26.5 | Very low | 28.9 | Very low | 132 Ų | 132 | 143.2 Ų | 143.2 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | trans | -29.7 | 137.1 | -177.2 | -57.2 | -56.2 | 0 | 0 | 0 | 118.8 | ||||
| 456 | T | 30.7 | Very low | 29 | Very low | 140 Ų | 140 | 146.9 Ų | 146.9 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | 175.7 | 135.8 | 113 | -75.3 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 457 | H | 31.5 | Very low | 28.9 | Very low | 179 Ų | 179 | 148.1 Ų | 148.1 | 83% | 0.829 | 78% | 0.781 | S | S | * | * | trans | -83.7 | 154.2 | 167.9 | -93.1 | -70.6 | 0 | 0 | 0 | 110.3 | ||||
| 458 | P | 38.1 | Very low | 28.8 | Very low | 110 Ų | 110 | 148.6 Ų | 148.6 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | cis | -148.5 | -166.8 | 46.7 | 42.4 | -21.7 | 0 | 0 | 0 | 116.8 | ||||
| 459 | C | 24.9 | Very low | 28.7 | Very low | 116 Ų | 116 | 147.9 Ų | 147.9 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | trans | 84.7 | 151.1 | 164.1 | -66.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 460 | E | 29.2 | Very low | 28.7 | Very low | 188 Ų | 188 | 148.5 Ų | 148.5 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | 69.3 | 131.5 | 172.4 | -49.8 | -150.5 | 124.5 | 0 | 0 | 120.8 | ||||
| 461 | E | 29.7 | Very low | 28.6 | Very low | 185 Ų | 185 | 148 Ų | 148 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | 40.4 | 72.1 | 162.8 | -56.5 | -157.8 | 111.1 | 0 | 0 | 121.3 | R463 | E461-R463 PolarHBondContact O-N 3.03Š| ||
| 462 | L | 29.3 | Very low | 28.5 | Very low | 172 Ų | 172 | 146.3 Ų | 146.3 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | 40.3 | 77.2 | 112.8 | -162.9 | 72.5 | 0 | 0 | 0 | 117.7 | |||||
| 463 | R | 27.5 | Very low | 28.6 | Very low | 235 Ų | 235 | 145.8 Ų | 145.8 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | -70.5 | 147.1 | 159.2 | 179 | 178.1 | -71.4 | 125.3 | 0.7 | 111 | E461 | E461-R463 PolarHBondContact O-N 3.03Š| ||
| 464 | A | 26.8 | Very low | 28.3 | Very low | 92 Ų | 92 | 146.8 Ų | 146.8 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | trans | 80.5 | 90 | 164.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 465 | A | 26.8 | Very low | 28.4 | Very low | 102 Ų | 102 | 142.9 Ų | 142.9 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -100.6 | 108.8 | 137.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 466 | M | 29.9 | Very low | 28.5 | Very low | 173 Ų | 173 | 146.7 Ų | 146.7 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | trans | -78.1 | 163.5 | 141.9 | -98 | 179.3 | 58.2 | 0 | 0 | 107.7 | ||||
| 467 | H | 26.7 | Very low | 28.3 | Very low | 168 Ų | 168 | 148.6 Ų | 148.6 | 78% | 0.778 | 81% | 0.807 | S | S | * | * | trans | 82.8 | 154 | 163.5 | -136.3 | -109 | 0 | 0 | 0 | 116.9 | ||||
| 468 | I | 27.9 | Very low | 28.3 | Very low | 134 Ų | 134 | 147.1 Ų | 147.1 | 69% | 0.687 | 81% | 0.805 | S | S | * | * | trans | 72.8 | 117 | 169.1 | -48.7 | 178.2 | 0 | 0 | 0 | 117.6 | ||||
| 469 | C | 27.1 | Very low | 28.6 | Very low | 119 Ų | 119 | 146.7 Ų | 146.7 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | 177.9 | 133 | 128.5 | -96.7 | 0 | 0 | 0 | 0 | 108 | |||||
| 470 | D | 26.5 | Very low | 28.6 | Very low | 157 Ų | 157 | 150.5 Ų | 150.5 | 84% | 0.84 | 81% | 0.808 | S | S | * | * | cis | 17.1 | 90.4 | -11.5 | -76.8 | -44.1 | 0 | 0 | 0 | 118.5 | ||||
| 471 | E | 27.2 | Very low | 28.5 | Very low | 138 Ų | 138 | 149.8 Ų | 149.8 | 65% | 0.645 | 81% | 0.805 | S | S | * | * | -165.5 | 139.9 | 102.9 | -133 | -155.1 | 110 | 0 | 0 | 111.3 | A473 | E471-A473 WeakPolarHBondContact OE1-CA 3.48Š| |||
| 472 | L | 27.2 | Very low | 29.8 | Very low | 176 Ų | 176 | 145.2 Ų | 145.2 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | -169.7 | 109.6 | 153.8 | -118.2 | 173.6 | 0 | 0 | 0 | 110.4 | ||||
| 473 | A | 30.7 | Very low | 30.6 | Very low | 78 Ų | 78 | 142 Ų | 142 | 65% | 0.645 | 78% | 0.781 | S | S | * | * | cis | -154.7 | 150.9 | -31.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | E471 | E471-A473 WeakPolarHBondContact OE1-CA 3.48Š| ||
| 474 | S | 23.4 | Very low | 30.6 | Very low | 110 Ų | 110 | 140.4 Ų | 140.4 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -142.2 | 85.6 | 173.9 | 176.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 475 | A | 29.5 | Very low | 30.7 | Very low | 96 Ų | 96 | 140.2 Ų | 140.2 | 79% | 0.793 | 78% | 0.779 | S | S | * | * | trans | -171.5 | 132.6 | 144.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 476 | K | 27.4 | Very low | 30.8 | Very low | 212 Ų | 212 | 143.9 Ų | 143.9 | 92% | 0.922 | 78% | 0.779 | S | S | * | * | trans | -160.2 | 95.8 | 138 | -111.4 | 176 | -173.9 | -179 | 0 | 110.6 | ||||
| 477 | H | 27.4 | Very low | 30.9 | Very low | 180 Ų | 180 | 140.7 Ų | 140.7 | 83% | 0.833 | 77% | 0.769 | S | S | * | * | trans | -72.6 | 163.4 | 151.6 | -84.4 | -74.2 | 0 | 0 | 0 | 108.6 | ||||
| 478 | L | 30.2 | Very low | 31.2 | Very low | 149 Ų | 149 | 141 Ų | 141 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | cis | -155.6 | -172.7 | 20.6 | -145.8 | 73.7 | 0 | 0 | 0 | 105.6 | ||||
| 479 | P | 45.7 | Very low | 31.4 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 66% | 0.656 | 77% | 0.77 | S | S | * | * | cis | -131.6 | -167 | -16.8 | 40.3 | -20.9 | 0 | 0 | 0 | 115 | ||||
| 480 | E | 24.4 | Very low | 31.9 | Very low | 196 Ų | 196 | 140.6 Ų | 140.6 | 92% | 0.916 | 77% | 0.768 | S | S | * | * | trans | 77.2 | 161.3 | 160.6 | -67.6 | -120.6 | 74.4 | 0 | 0 | 120.9 | ||||
| 481 | E | 28 | Very low | 32.4 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | trans | -128.7 | -140.9 | -161.7 | -161 | -135.2 | 155.5 | 0 | 0 | 114.7 | ||||
| 482 | P | 55.3 | Low | 32.5 | Very low | 90 Ų | 90 | 142.4 Ų | 142.4 | 58% | 0.584 | 77% | 0.772 | S | S | * | * | -89.3 | -177.1 | -129.4 | 44.4 | -33.5 | 0 | 0 | 0 | 114.2 | |||||
| 483 | P | 46.3 | Very low | 32.7 | Very low | 105 Ų | 105 | 137.6 Ų | 137.6 | 68% | 0.682 | 76% | 0.757 | S | S | * | * | cis | -154.5 | 166.5 | 24 | 43.9 | -21.8 | 0 | 0 | 0 | 122.1 | ||||
| 484 | K | 27.6 | Very low | 32.9 | Very low | 201 Ų | 201 | 143.6 Ų | 143.6 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | 63.3 | 156.3 | 140.6 | -74.8 | 171.2 | -177.9 | 173.4 | 0 | 123.6 | ||||
| 485 | A | 28.6 | Very low | 33.1 | Very low | 88 Ų | 88 | 146.7 Ų | 146.7 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | 77.8 | 121 | 163.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 486 | Q | 28.9 | Very low | 33.2 | Very low | 179 Ų | 179 | 147.7 Ų | 147.7 | 84% | 0.836 | 76% | 0.757 | S | S | * | * | 68.4 | 137.8 | 77.8 | -68.6 | -169.7 | -1.9 | 0 | 0 | 113.8 | |||||
| 487 | T | 32.6 | Very low | 33.5 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 64% | 0.644 | 76% | 0.756 | S | S | * | * | cis | -165.8 | 162.4 | -1.5 | 11.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 488 | H | 34.2 | Very low | 34 | Very low | 176 Ų | 176 | 146.2 Ų | 146.2 | 82% | 0.815 | 76% | 0.758 | S | S | * | * | trans | 68.8 | 155.4 | 155.1 | -82.9 | -142 | 0 | 0 | 0 | 117.5 | ||||
| 489 | S | 31.2 | Very low | 34.1 | Very low | 98 Ų | 98 | 148 Ų | 148 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | cis | -171.2 | 173 | -10.6 | 59.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 490 | L | 38 | Very low | 33.5 | Very low | 146 Ų | 146 | 151 Ų | 151 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | cis | -164.2 | -173.4 | -2.7 | -128.7 | 172.9 | 0 | 0 | 0 | 108.8 | ||||
| 491 | I | 36.5 | Very low | 34.1 | Very low | 137 Ų | 137 | 146.7 Ų | 146.7 | 70% | 0.703 | 76% | 0.757 | S | S | * | * | trans | 63.8 | 102.6 | 157.1 | -67.9 | 160.8 | 0 | 0 | 0 | 116.7 | ||||
| 492 | K | 29.1 | Very low | 34.4 | Very low | 195 Ų | 195 | 146.3 Ų | 146.3 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | 88.8 | 132.9 | 66.6 | 175.9 | -174.9 | -179.5 | -170.3 | 0 | 111.8 | |||||
| 493 | A | 31 | Very low | 33.9 | Very low | 75 Ų | 75 | 147.5 Ų | 147.5 | 62% | 0.62 | 77% | 0.767 | S | S | * | * | cis | -143.5 | 152.1 | 17.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 494 | R | 35 | Very low | 33.1 | Very low | 205 Ų | 205 | 148.4 Ų | 148.4 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | 51.8 | 134.2 | 103.5 | -65.3 | 177.8 | 159.2 | 168.6 | -2.8 | 115.9 | M496 | R494-M496 HydrophobicContact CG-CE 4.39Å; R494-M496 HydrophobicContact CG-CG 4.33Å; R494-M496 HydrophobicContact CG-SD 4.48Å | |||
| 495 | M | 29.1 | Very low | 33.6 | Very low | 175 Ų | 175 | 145.5 Ų | 145.5 | 86% | 0.862 | 77% | 0.77 | S | S | * | * | cis | -137.7 | 132.5 | 43.3 | -67.1 | -175.1 | -176.6 | 0 | 0 | 112.7 | ||||
| 496 | M | 31.5 | Very low | 34 | Very low | 116 Ų | 116 | 148.1 Ų | 148.1 | 57% | 0.571 | 77% | 0.77 | S | S | * | * | 83.7 | 70.2 | 64.6 | -67.7 | -158 | -66.7 | 0 | 0 | 116.6 | R494 | R494-M496 HydrophobicContact CG-CE 4.39Å; R494-M496 HydrophobicContact CG-CG 4.33Å; R494-M496 HydrophobicContact CG-SD 4.48Å | |||
| 497 | S | 32.3 | Very low | 34.6 | Very low | 129 Ų | 129 | 144.7 Ų | 144.7 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | trans | -82.2 | 121.2 | 151.6 | -60.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 498 | R | 37.7 | Very low | 35.4 | Very low | 232 Ų | 232 | 145.3 Ų | 145.3 | 88% | 0.875 | 77% | 0.769 | S | S | * | * | trans | -85.5 | 114.8 | -179.4 | -73.5 | -179.4 | 173.8 | 173.2 | -2.4 | 111.4 | ||||
| 499 | K | 33.4 | Very low | 35.9 | Very low | 186 Ų | 186 | 142.6 Ų | 142.6 | 81% | 0.809 | 77% | 0.767 | S | S | * | * | trans | -105.1 | 134.4 | 155.6 | -172.7 | 172.5 | -178.5 | 177.6 | 0 | 107.9 | ||||
| 500 | L | 33.7 | Very low | 36.1 | Very low | 165 Ų | 165 | 143.9 Ų | 143.9 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | -128.7 | 132.8 | 175.7 | -122.5 | 164 | 0 | 0 | 0 | 107.7 | ||||
| 501 | T | 37.3 | Very low | 36.2 | Very low | 105 Ų | 105 | 145.3 Ų | 145.3 | 64% | 0.644 | 78% | 0.776 | S | S | * | * | trans | -154.7 | 115.1 | -178 | -54.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 502 | L | 34.3 | Very low | 36.2 | Very low | 164 Ų | 164 | 144.9 Ų | 144.9 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | trans | -160.9 | 170.4 | 153.5 | -125.3 | 75.2 | 0 | 0 | 0 | 106.3 | ||||
| 503 | P | 44.1 | Very low | 36.2 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | -111.7 | 146.6 | -122.1 | 32.6 | -16.8 | 0 | 0 | 0 | 113.6 | |||||
| 504 | V | 30.2 | Very low | 36.2 | Very low | 124 Ų | 124 | 143.2 Ų | 143.2 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | trans | -133.1 | 122.5 | 168.8 | 178.2 | 0 | 0 | 0 | 0 | 108.8 | I506 | V504-I506 HydrophobicContact CG1-CG1 4.33Š| ||
| 505 | T | 37.8 | Very low | 36.7 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 86% | 0.859 | 79% | 0.791 | S | S | * | * | trans | -70.2 | 126.8 | 169.1 | -55.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 506 | I | 35.6 | Very low | 36.8 | Very low | 143 Ų | 143 | 137.4 Ų | 137.4 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | trans | -114.5 | 130.2 | 177.4 | -60.4 | -179.5 | 0 | 0 | 0 | 108.6 | V504 | V504-I506 HydrophobicContact CG1-CG1 4.33Š| ||
| 507 | P | 42.6 | Very low | 36.8 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -76 | 165.5 | -177.1 | 31.5 | -36.3 | 0 | 0 | 0 | 113.3 | ||
| 508 | P | 48.5 | Very low | 36.8 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 157.2 | 178.2 | 28.1 | -36.3 | 0 | 0 | 0 | 113.4 | ||
| 509 | P | 44.4 | Very low | 36.6 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 150.5 | -179.1 | 30.3 | -36 | 0 | 0 | 0 | 112.9 | ||
| 510 | P | 36.8 | Very low | 36.4 | Very low | 125 Ų | 125 | 128.7 Ų | 128.7 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -76 | 150.7 | -179 | 31.7 | -35.7 | 0 | 0 | 0 | 113 | ||
| 511 | Q | 38.9 | Very low | 36.4 | Very low | 177 Ų | 177 | 127 Ų | 127 | 83% | 0.827 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -86 | 148.6 | 167.4 | -68.2 | -174.3 | -11.3 | 0 | 0 | 111.1 | ||
| 512 | P | 37.8 | Very low | 36.1 | Very low | 127 Ų | 127 | 125.8 Ų | 125.8 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -81 | 122.4 | 175 | 31.8 | -32.4 | 0 | 0 | 0 | 111.5 | ||
| 513 | C | 29.1 | Very low | 36 | Very low | 120 Ų | 120 | 121.2 Ų | 121.2 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | trans | -130.4 | 153.5 | 169.4 | -82.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 514 | S | 31.4 | Very low | 35.5 | Very low | 115 Ų | 115 | 122 Ų | 122 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -69.2 | 156.8 | -165.7 | -49.1 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 515 | P | 43.5 | Very low | 35.6 | Very low | 127 Ų | 127 | 121.4 Ų | 121.4 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -87 | 134.3 | -177.7 | 33.8 | -33.7 | 0 | 0 | 0 | 113.3 | ||||
| 516 | T | 32.8 | Very low | 35.3 | Very low | 132 Ų | 132 | 119.1 Ų | 119.1 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -138.6 | 119.5 | 162.7 | -56.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 517 | S | 31.8 | Very low | 35.3 | Very low | 109 Ų | 109 | 120.4 Ų | 120.4 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | 19.6 | 123.4 | 152.9 | -51.2 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 518 | V | 31.8 | Very low | 34.7 | Very low | 145 Ų | 145 | 120.3 Ų | 120.3 | 88% | 0.879 | 81% | 0.809 | S | S | * | * | trans | -30.1 | 143.4 | 153.9 | -71.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 519 | A | 33.1 | Very low | 34.8 | Very low | 104 Ų | 104 | 119.9 Ų | 119.9 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -153.6 | 133.7 | 149.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 520 | S | 29.8 | Very low | 34.2 | Very low | 122 Ų | 122 | 122.3 Ų | 122.3 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | trans | -160.5 | 100.4 | 166.9 | -171.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 521 | S | 33.7 | Very low | 34 | Very low | 128 Ų | 128 | 120.5 Ų | 120.5 | 90% | 0.895 | 81% | 0.807 | S | S | * | * | trans | 161.2 | 133 | 154.8 | 41.9 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 522 | G | 30.3 | Very low | 34.1 | Very low | 80 Ų | 80 | 117.9 Ų | 117.9 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | cis | 177.7 | 176.5 | -10.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 523 | G | 31.2 | Very low | 34 | Very low | 69 Ų | 69 | 117.1 Ų | 117.1 | 71% | 0.711 | 80% | 0.803 | S | S | * | * | trans | 110.7 | 123.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 524 | T | 34.1 | Very low | 34.7 | Very low | 133 Ų | 133 | 117.4 Ų | 117.4 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | trans | 54.1 | 96 | 132.1 | 56.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 525 | S | 32.1 | Very low | 34.7 | Very low | 110 Ų | 110 | 117.2 Ų | 117.2 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | 68.2 | 119.3 | 118.1 | 67.3 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 526 | A | 31.4 | Very low | 34.9 | Very low | 92 Ų | 92 | 116.8 Ų | 116.8 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | 97.3 | 162.5 | 127.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 527 | I | 36.7 | Very low | 34.9 | Very low | 170 Ų | 170 | 115.6 Ų | 115.6 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | 65.7 | 110.4 | 169.9 | -5.2 | -177.5 | 0 | 0 | 0 | 119 | ||||
| 528 | S | 29.1 | Very low | 36 | Very low | 106 Ų | 106 | 115.9 Ų | 115.9 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -73.1 | -171.4 | 154.5 | -38.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 529 | P | 51.2 | Low | 36.8 | Very low | 108 Ų | 108 | 113.9 Ų | 113.9 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | cis | -138.4 | -178.8 | -4.1 | 41.7 | -23.4 | 0 | 0 | 0 | 116.1 | ||||
| 530 | L | 31.1 | Very low | 36.7 | Very low | 170 Ų | 170 | 117.3 Ų | 117.3 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | trans | 73.6 | 155.1 | 145.1 | -114 | 65.6 | 0 | 0 | 0 | 122 | ||||
| 531 | A | 33 | Very low | 36.9 | Very low | 87 Ų | 87 | 122.2 Ų | 122.2 | 72% | 0.719 | 79% | 0.788 | S | S | * | * | trans | -82.3 | 178 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 532 | P | 41.7 | Very low | 37.5 | Very low | 122 Ų | 122 | 121.4 Ų | 121.4 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | cis | -143 | 177.9 | 41.6 | 41.5 | -21.2 | 0 | 0 | 0 | 117.8 | ||||
| 533 | S | 35.2 | Very low | 37.8 | Very low | 111 Ų | 111 | 129 Ų | 129 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -80 | 153.5 | 167 | 52.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 534 | P | 43.8 | Very low | 37.8 | Very low | 126 Ų | 126 | 129 Ų | 129 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | -145 | 169.1 | 123.7 | 38.1 | -23.5 | 0 | 0 | 0 | 116.2 | |||||
| 535 | S | 31.1 | Very low | 38 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | trans | -79.6 | -174.4 | 170.6 | -41.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 536 | P | 48.3 | Very low | 38.1 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | cis | -140.6 | -170.5 | 5.4 | 41.9 | -20.2 | 0 | 0 | 0 | 117.9 | ||||
| 537 | S | 32 | Very low | 38.2 | Very low | 106 Ų | 106 | 137.7 Ų | 137.7 | 74% | 0.741 | 79% | 0.793 | S | S | * | * | trans | -51.1 | 168.6 | 171.9 | 52.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 538 | P | 56.4 | Low | 37.8 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | cis | -140.7 | -142.9 | 34 | 43.1 | -20.1 | 0 | 0 | 0 | 112.9 | ||||
| 539 | P | 48.2 | Very low | 37.7 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 66% | 0.662 | 79% | 0.793 | S | S | * | * | cis | -138.9 | 158.3 | -15.2 | 38.2 | -18.5 | 0 | 0 | 0 | 119.2 | ||||
| 540 | I | 30 | Very low | 36.8 | Very low | 176 Ų | 176 | 139.9 Ų | 139.9 | 90% | 0.903 | 80% | 0.798 | S | S | * | * | trans | 65.9 | 154.5 | 142.6 | -65.6 | 170.1 | 0 | 0 | 0 | 121.3 | ||||
| 541 | R | 35.1 | Very low | 36.6 | Very low | 225 Ų | 225 | 138.4 Ų | 138.4 | 85% | 0.849 | 80% | 0.796 | S | S | * | * | trans | -111.3 | 163.5 | -167.6 | -133.4 | -175.9 | -160.3 | 177.3 | 8.4 | 111.3 | ||||
| 542 | P | 46.6 | Very low | 36.3 | Very low | 111 Ų | 111 | 145 Ų | 145 | 72% | 0.721 | 80% | 0.803 | S | S | * | * | -155.6 | 151.2 | 83 | 38.9 | -18.9 | 0 | 0 | 0 | 119.8 | |||||
| 543 | R | 35 | Very low | 35.5 | Very low | 239 Ų | 239 | 144 Ų | 144 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | 50.5 | 120.1 | 145.6 | -66.5 | -176.6 | 174.4 | 118 | -1.7 | 122.8 | ||||
| 544 | G | 32.2 | Very low | 35.6 | Very low | 70 Ų | 70 | 144 Ų | 144 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | trans | -135.4 | 159.7 | 144.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 545 | P | 39.1 | Very low | 34.8 | Very low | 136 Ų | 136 | 143.9 Ų | 143.9 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | trans | -86.2 | 164.2 | -165.5 | 33.1 | -35.9 | 0 | 0 | 0 | 116.4 | ||||
| 546 | R | 33.2 | Very low | 34.6 | Very low | 223 Ų | 223 | 144.3 Ų | 144.3 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | trans | -99.4 | 164.3 | 168.9 | -66.1 | 172.5 | 167.3 | 166.2 | -8.3 | 109.4 | ||||
| 547 | L | 34.3 | Very low | 33.8 | Very low | 159 Ų | 159 | 144 Ų | 144 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | 174.8 | 173.3 | 77.7 | -79.3 | 170.7 | 0 | 0 | 0 | 107.3 | |||||
| 548 | C | 28.3 | Very low | 33.6 | Very low | 95 Ų | 95 | 144.9 Ų | 144.9 | 64% | 0.642 | 81% | 0.807 | S | S | * | * | cis | -170.7 | 139.3 | -48.8 | -106.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 549 | F | 26.6 | Very low | 32.3 | Very low | 217 Ų | 217 | 148.1 Ų | 148.1 | 95% | 0.952 | 81% | 0.813 | S | S | * | * | trans | -105.6 | 136.8 | 164.2 | -90.5 | -85.7 | 0 | 0 | 0 | 109.7 | ||||
| 550 | S | 32.1 | Very low | 32.6 | Very low | 118 Ų | 118 | 148.1 Ų | 148.1 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -105.8 | 113.6 | -174 | -59.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 551 | V | 27.5 | Very low | 33 | Very low | 139 Ų | 139 | 145.7 Ų | 145.7 | 84% | 0.842 | 81% | 0.808 | S | S | * | * | trans | -85.1 | 134 | 161.8 | 173.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 552 | W | 25.6 | Very low | 32.7 | Very low | 226 Ų | 226 | 139.9 Ų | 139.9 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | -112 | 126.9 | 178.9 | -178.3 | -87.9 | 0 | 0 | 0 | 111.3 | ||||
| 553 | S | 26.1 | Very low | 31.8 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | trans | -129.2 | 123.1 | 172 | -64.1 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 554 | P | 36.8 | Very low | 31.3 | Very low | 110 Ų | 110 | 135.7 Ų | 135.7 | 71% | 0.714 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 144.6 | 174.9 | 33.7 | -32.2 | 0 | 0 | 0 | 112.1 | ||
| 555 | S | 26.5 | Very low | 31.1 | Very low | 124 Ų | 124 | 137 Ų | 137 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 154.2 | 174.3 | -61.6 | 0 | 0 | 0 | 0 | 112.3 | ||
| 556 | S | 27.5 | Very low | 30.6 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 147.1 | -179.8 | -43.8 | 0 | 0 | 0 | 0 | 114.1 | ||
| 557 | S | 30 | Very low | 30.3 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | trans | -178.2 | 163.5 | 133.3 | 44 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 558 | S | 28.7 | Very low | 29.9 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | 78.1 | 143.2 | 165.8 | 76.5 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 559 | Q | 30.1 | Very low | 29.9 | Very low | 185 Ų | 185 | 134.9 Ų | 134.9 | 86% | 0.864 | 82% | 0.815 | S | S | * | * | trans | -159.8 | 169.6 | -178.9 | -118.7 | -170.3 | -11.2 | 0 | 0 | 105.5 | ||||
| 560 | P | 52.9 | Low | 30 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 66% | 0.662 | 80% | 0.804 | S | S | * | * | cis | -116.1 | -123.7 | -22.8 | 29.7 | -6.1 | 0 | 0 | 0 | 108.1 | ||||
| 561 | P | 38.4 | Very low | 30.5 | Very low | 124 Ų | 124 | 130 Ų | 130 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | cis | -109.1 | 164.7 | 18.4 | 40.8 | -32.7 | 0 | 0 | 0 | 115.4 | ||||
| 562 | S | 28.4 | Very low | 30.6 | Very low | 103 Ų | 103 | 128.4 Ų | 128.4 | 72% | 0.72 | 80% | 0.8 | S | S | * | * | trans | -91.5 | 158.6 | 173.8 | -44 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 563 | T | 27.9 | Very low | 30.6 | Very low | 149 Ų | 149 | 126.8 Ų | 126.8 | 91% | 0.914 | 80% | 0.802 | S | S | * | * | trans | -134.7 | 145 | 148.4 | 45 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 564 | S | 26.3 | Very low | 30.8 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -154.7 | 123.1 | -167 | 54 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 565 | A | 27.1 | Very low | 31 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -172.6 | 123.3 | 158.4 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 566 | Q | 28.4 | Very low | 31.2 | Very low | 181 Ų | 181 | 139.3 Ų | 139.3 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | cis | 90.3 | 110.4 | 20.2 | -157.3 | -179.7 | 28 | 0 | 0 | 115.3 | ||||
| 567 | S | 27.4 | Very low | 31.2 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | 58 | 144.8 | 173.5 | 58.8 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 568 | G | 26.1 | Very low | 31.2 | Very low | 66 Ų | 66 | 140.3 Ų | 140.3 | 68% | 0.68 | 81% | 0.814 | S | S | * | * | cis | 122.4 | 131 | -8.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 569 | Q | 26.9 | Very low | 31.3 | Very low | 202 Ų | 202 | 145.3 Ų | 145.3 | 94% | 0.944 | 81% | 0.814 | S | S | * | * | trans | -164.1 | 161.3 | 166.7 | -109.6 | 158.7 | 28.7 | 0 | 0 | 111.3 | ||||
| 570 | S | 29.6 | Very low | 31.2 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | trans | -104.1 | 166.5 | 173.6 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 571 | P | 42.8 | Very low | 30.1 | Very low | 130 Ų | 130 | 140.8 Ų | 140.8 | 84% | 0.844 | 82% | 0.817 | S | S | * | * | -136 | 170.6 | 109.1 | 36.2 | -25.3 | 0 | 0 | 0 | 115.1 | |||||
| 572 | S | 28.5 | Very low | 29.8 | Very low | 106 Ų | 106 | 146.3 Ų | 146.3 | 74% | 0.741 | 82% | 0.822 | S | S | * | * | trans | -82.2 | 149.6 | -177.3 | 144.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 573 | E | 26.5 | Very low | 29.9 | Very low | 193 Ų | 193 | 153.5 Ų | 153.5 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | trans | -155.3 | 160.1 | 133 | -125.9 | 178.9 | -163.8 | 0 | 0 | 114.1 | ||||
| 574 | R | 30.5 | Very low | 30.3 | Very low | 235 Ų | 235 | 157.3 Ų | 157.3 | 89% | 0.887 | 83% | 0.833 | S | S | * | * | trans | -162.6 | 131 | -175 | -154.1 | -175.4 | -161.1 | 175.9 | 7.1 | 111.6 | ||||
| 575 | P | 39.8 | Very low | 30.6 | Very low | 118 Ų | 118 | 163.2 Ų | 163.2 | 77% | 0.766 | 84% | 0.838 | S | S | * | * | trans | -138.4 | 137.3 | 141.1 | 28.6 | -11.1 | 0 | 0 | 0 | 116 | ||||
| 576 | R | 31.7 | Very low | 30.9 | Very low | 244 Ų | 244 | 168.1 Ų | 168.1 | 92% | 0.921 | 84% | 0.841 | S | S | * | * | trans | 4.6 | 138.4 | 135.6 | -91.1 | 176.3 | -88.3 | 154.5 | -7.3 | 116.7 | ||||
| 577 | A | 28 | Very low | 31.1 | Very low | 89 Ų | 89 | 167.5 Ų | 167.5 | 74% | 0.736 | 84% | 0.842 | S | S | * | * | cis | 174.7 | -171.4 | 36.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 578 | L | 29.8 | Very low | 31.3 | Very low | 165 Ų | 165 | 165.9 Ų | 165.9 | 86% | 0.864 | 84% | 0.836 | S | S | * | * | trans | 85 | 168.8 | 156.2 | -75.6 | 167.9 | 0 | 0 | 0 | 120.4 | ||||
| 579 | R | 30.3 | Very low | 31.6 | Very low | 228 Ų | 228 | 174.3 Ų | 174.3 | 86% | 0.86 | 85% | 0.847 | S | S | * | * | trans | -120.9 | 158.8 | -148.1 | -64.2 | 176.4 | 168.8 | 124.4 | -8.6 | 114.2 | ||||
| 580 | A | 28.9 | Very low | 31.9 | Very low | 99 Ų | 99 | 171.5 Ų | 171.5 | 82% | 0.818 | 84% | 0.837 | S | S | * | * | trans | 86.1 | 144.3 | 142.5 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 581 | A | 28.4 | Very low | 32.2 | Very low | 93 Ų | 93 | 172.9 Ų | 172.9 | 77% | 0.769 | 84% | 0.841 | S | S | * | * | trans | 73 | 117.6 | 149.2 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 582 | R | 33.1 | Very low | 31.7 | Very low | 240 Ų | 240 | 176.7 Ų | 176.7 | 91% | 0.906 | 84% | 0.838 | S | S | * | * | trans | 31.5 | 116.1 | 142 | -56.3 | -176.7 | -174.8 | -167.4 | 3.2 | 119.2 | ||||
| 583 | R | 30.9 | Very low | 31.7 | Very low | 253 Ų | 253 | 177 Ų | 177 | 96% | 0.955 | 84% | 0.841 | S | S | * | * | -176.2 | 153.3 | 107.8 | -97.2 | 167 | -158.5 | -134.9 | 6.5 | 112.3 | |||||
| 584 | Y | 36.2 | Very low | 32 | Very low | 230 Ų | 230 | 173.5 Ų | 173.5 | 90% | 0.902 | 83% | 0.833 | S | S | * | * | trans | -68.4 | 138.9 | 173 | -89.8 | -115.3 | 0 | 0 | 0 | 112.1 | ||||
| 585 | R | 31.4 | Very low | 32.2 | Very low | 237 Ų | 237 | 167.7 Ų | 167.7 | 89% | 0.894 | 83% | 0.828 | S | S | * | * | trans | -162.2 | 109.8 | 149.6 | -111.6 | 168 | -169.3 | -178.9 | 2.9 | 113.8 | ||||
| 586 | K | 34.3 | Very low | 31.8 | Very low | 202 Ų | 202 | 168.7 Ų | 168.7 | 88% | 0.878 | 83% | 0.827 | S | S | * | * | 52.7 | 88.3 | 127.1 | -160.9 | 179.3 | -172.4 | -179.8 | 0 | 118.5 | |||||
| 587 | L | 32.4 | Very low | 32 | Very low | 168 Ų | 168 | 163 Ų | 163 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | trans | -96.9 | 122.3 | 146.6 | -77.9 | 99.7 | 0 | 0 | 0 | 107.7 | ||||
| 588 | A | 31.7 | Very low | 32.2 | Very low | 84 Ų | 84 | 166.4 Ų | 166.4 | 69% | 0.694 | 83% | 0.825 | S | S | * | * | 86.7 | 110.5 | 70.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 589 | R | 32.7 | Very low | 32 | Very low | 243 Ų | 243 | 163.7 Ų | 163.7 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | trans | -77 | 132.9 | 178.2 | -50.2 | -178.1 | -162.3 | 102.3 | -4.7 | 108.9 | ||||
| 590 | I | 33.7 | Very low | 31.7 | Very low | 144 Ų | 144 | 158.2 Ų | 158.2 | 74% | 0.738 | 82% | 0.816 | S | S | * | * | trans | -103 | 107.7 | 162.8 | -61.6 | 177.7 | 0 | 0 | 0 | 107 | ||||
| 591 | V | 34.9 | Very low | 31.7 | Very low | 129 Ų | 129 | 158.4 Ų | 158.4 | 78% | 0.782 | 81% | 0.811 | S | S | * | * | trans | -71.9 | 133.7 | 166.1 | 178.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 592 | R | 32.5 | Very low | 31.6 | Very low | 211 Ų | 211 | 160.7 Ų | 160.7 | 80% | 0.796 | 82% | 0.816 | S | S | * | * | trans | -106.7 | 138.8 | 163.1 | -87.9 | -176.2 | 157.2 | 77.2 | 1.6 | 108.5 | ||||
| 593 | S | 27.7 | Very low | 31.5 | Very low | 113 Ų | 113 | 155.5 Ų | 155.5 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | -66.6 | 149.1 | -174.3 | -166 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 594 | T | 33.2 | Very low | 31.6 | Very low | 119 Ų | 119 | 150.2 Ų | 150.2 | 73% | 0.73 | 81% | 0.807 | S | S | * | * | trans | -72.2 | 153.7 | 161.3 | 46.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 595 | S | 33.9 | Very low | 31.4 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -155.5 | 120.7 | 163.5 | 57.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 596 | D | 33.1 | Very low | 31.1 | Very low | 140 Ų | 140 | 142.6 Ų | 142.6 | 75% | 0.749 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 147.4 | -163.9 | -50.7 | -78.1 | 0 | 0 | 0 | 113.5 | I598 | D596-I598 PolarHBondContact O-N 3.2Š|
| 597 | P | 36 | Very low | 31 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 119.2 | 173.5 | 30.5 | -32.5 | 0 | 0 | 0 | 110.8 | S599 | P597-S599 PolarHBondContact O-N 3.45Š|
| 598 | I | 30.8 | Very low | 30.7 | Very low | 159 Ų | 159 | 138.4 Ų | 138.4 | 82% | 0.815 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 126 | 175.7 | -61.3 | 173.9 | 0 | 0 | 0 | 109.5 | D596 | D596-I598 PolarHBondContact O-N 3.2Š|
| 599 | S | 26.1 | Very low | 30.4 | Very low | 108 Ų | 108 | 140 Ų | 140 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 116.2 | 178.2 | -165.8 | 0 | 0 | 0 | 0 | 111.1 | P597 | P597-S599 PolarHBondContact O-N 3.45Š|
| 600 | C | 24.7 | Very low | 30 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -96.7 | 95.6 | 178.5 | -68.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 601 | S | 28 | Very low | 29.6 | Very low | 103 Ų | 103 | 131.2 Ų | 131.2 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | -86.8 | 106.7 | 173.2 | -65.8 | 0 | 0 | 0 | 0 | 111.5 | T603 | S601-T603 PolarHBondContact O-N 3.04Š| ||
| 602 | T | 27.1 | Very low | 29.2 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 86% | 0.859 | 78% | 0.783 | S | S | * | * | trans | -80.5 | 91.1 | 174.7 | 34.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 603 | T | 30.3 | Very low | 29 | Very low | 132 Ų | 132 | 127.1 Ų | 127.1 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -80.3 | 115.4 | 172 | 50.2 | 0 | 0 | 0 | 0 | 111.7 | S601 | S601-T603 PolarHBondContact O-N 3.04Š| ||
| 604 | T | 32.8 | Very low | 29 | Very low | 142 Ų | 142 | 124.6 Ų | 124.6 | 87% | 0.871 | 78% | 0.775 | S | S | * | * | trans | -59 | 131.3 | 173.8 | -49 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 605 | G | 31.4 | Very low | 28.7 | Very low | 73 Ų | 73 | 126.5 Ų | 126.5 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | -82 | 150.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 606 | R | 26.4 | Very low | 28.6 | Very low | 234 Ų | 234 | 128.8 Ų | 128.8 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -141.4 | 155.8 | 162.2 | -163.5 | 171.7 | -176.4 | -171 | 0.8 | 110 | ||||
| 607 | Q | 31.3 | Very low | 29.5 | Very low | 158 Ų | 158 | 127.7 Ų | 127.7 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | -65.7 | 170.4 | -178.6 | -53.6 | 119.7 | -33.4 | 0 | 0 | 112.1 | ||||
| 608 | T | 26.5 | Very low | 29.3 | Very low | 123 Ų | 123 | 126.2 Ų | 126.2 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | cis | -164.6 | 170.3 | 27.9 | -28 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 609 | C | 25.1 | Very low | 29.4 | Very low | 117 Ų | 117 | 123 Ų | 123 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | trans | 88.9 | 119.5 | 148 | -70.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 610 | A | 24.6 | Very low | 29.7 | Very low | 86 Ų | 86 | 123.1 Ų | 123.1 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | 81.6 | 113.5 | 131.6 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 611 | C | 25.2 | Very low | 29.8 | Very low | 118 Ų | 118 | 120.9 Ų | 120.9 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | 54.2 | 143.1 | 120.4 | -55.4 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 612 | T | 27.4 | Very low | 29.8 | Very low | 122 Ų | 122 | 122 Ų | 122 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | cis | -166.5 | 158.6 | 10 | -2.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 613 | T | 28.4 | Very low | 29.8 | Very low | 131 Ų | 131 | 118.9 Ų | 118.9 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | trans | 55.2 | 139.1 | 148.4 | -47.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 614 | G | 26.6 | Very low | 29.8 | Very low | 60 Ų | 60 | 124.1 Ų | 124.1 | 62% | 0.619 | 79% | 0.785 | S | S | * | * | cis | 156.6 | 178.2 | -0.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 615 | N | 28.2 | Very low | 29.5 | Very low | 160 Ų | 160 | 123.9 Ų | 123.9 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | 82.2 | 116.4 | 169.2 | -55.3 | -13.7 | 0 | 0 | 0 | 120.4 | ||||
| 616 | N | 31.8 | Very low | 29.1 | Very low | 159 Ų | 159 | 125.6 Ų | 125.6 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -88.3 | -173.4 | 149.7 | -81.7 | -43 | 0 | 0 | 0 | 108.5 | ||||
| 617 | P | 51.4 | Low | 30 | Very low | 117 Ų | 117 | 119.4 Ų | 119.4 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | cis | -147.4 | -170.7 | 14.8 | 45 | -24.6 | 0 | 0 | 0 | 118.3 | ||||
| 618 | A | 30.9 | Very low | 29.7 | Very low | 95 Ų | 95 | 119.6 Ų | 119.6 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | 74.8 | 154.1 | 147.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 619 | A | 33.5 | Very low | 29.7 | Very low | 92 Ų | 92 | 121.8 Ų | 121.8 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | cis | -169.5 | 166.4 | -20.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 620 | A | 32.1 | Very low | 29.6 | Very low | 110 Ų | 110 | 123.8 Ų | 123.8 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | trans | 64.1 | 156 | 164.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 621 | G | 27.3 | Very low | 30.2 | Very low | 67 Ų | 67 | 124.7 Ų | 124.7 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | cis | -154.8 | 155.2 | -6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 622 | S | 27.1 | Very low | 30.4 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 87% | 0.874 | 77% | 0.77 | S | S | * | * | 73.1 | 128.3 | 73.7 | -166.5 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 623 | A | 28.7 | Very low | 30.4 | Very low | 76 Ų | 76 | 127.8 Ų | 127.8 | 63% | 0.628 | 76% | 0.763 | S | S | * | * | cis | -172.9 | 155.9 | -12.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 624 | R | 28.6 | Very low | 30.3 | Very low | 241 Ų | 241 | 127.5 Ų | 127.5 | 91% | 0.909 | 76% | 0.761 | S | S | * | * | trans | 65.7 | 169.7 | 159.5 | -62.2 | 165.6 | 178.3 | 176.4 | -1.5 | 116.4 | ||||
| 625 | T | 27.5 | Very low | 30.4 | Very low | 137 Ų | 137 | 129.8 Ų | 129.8 | 84% | 0.84 | 77% | 0.768 | S | S | * | * | cis | -134.8 | 171.5 | 10.4 | 47.5 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 626 | S | 23 | Very low | 30.4 | Very low | 110 Ų | 110 | 127 Ų | 127 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -101 | -170.3 | 168.1 | -132.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 627 | P | 45.6 | Very low | 30.1 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | cis | -139.4 | -174.4 | -16.6 | 35.8 | -14.5 | 0 | 0 | 0 | 115.9 | ||||
| 628 | E | 24.5 | Very low | 29 | Very low | 161 Ų | 161 | 127.6 Ų | 127.6 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | trans | 87.7 | 155.2 | 137.9 | -125.3 | -178.6 | 85.8 | 0 | 0 | 124.6 | ||||
| 629 | Q | 26.7 | Very low | 29 | Very low | 169 Ų | 169 | 129.8 Ų | 129.8 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | trans | 92.8 | 120.7 | 156.3 | -69.1 | 171.2 | 21.2 | 0 | 0 | 122.7 | ||||
| 630 | E | 23.7 | Very low | 28.7 | Very low | 160 Ų | 160 | 129 Ų | 129 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | -74.5 | 177.5 | 155.5 | -122.2 | -149 | 89.7 | 0 | 0 | 109.8 | ||||
| 631 | P | 37.3 | Very low | 28.4 | Very low | 104 Ų | 104 | 128.8 Ų | 128.8 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | cis | -145.3 | 173.4 | 26.2 | 45.1 | -25.4 | 0 | 0 | 0 | 119.2 | ||||
| 632 | R | 29.3 | Very low | 28.5 | Very low | 191 Ų | 191 | 135 Ų | 135 | 72% | 0.721 | 77% | 0.766 | S | S | * | * | trans | 47.5 | 137 | 138.2 | -80.9 | 177.6 | 168.2 | -97.5 | 2.8 | 126.3 | ||||
| 633 | D | 25.6 | Very low | 29.1 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 62% | 0.615 | 76% | 0.761 | S | S | * | * | 91.6 | 123.6 | 127.3 | -75.5 | -31 | 0 | 0 | 0 | 124.5 | |||||
| 634 | V | 28 | Very low | 28.9 | Very low | 125 Ų | 125 | 134.7 Ų | 134.7 | 76% | 0.758 | 77% | 0.769 | S | S | * | * | 97.8 | 115 | 128.6 | 165.5 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 635 | S | 28 | Very low | 28.8 | Very low | 108 Ų | 108 | 132.7 Ų | 132.7 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | 90.7 | 142.3 | 140 | -83.5 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 636 | S | 28.3 | Very low | 28.7 | Very low | 101 Ų | 101 | 132.4 Ų | 132.4 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | trans | 63.5 | 128.7 | 156.4 | -65.1 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 637 | E | 25.5 | Very low | 28.9 | Very low | 176 Ų | 176 | 131.4 Ų | 131.4 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | 68.3 | 132.2 | 63.3 | -75.9 | -153.3 | 113.5 | 0 | 0 | 113.6 | |||||
| 638 | V | 28.6 | Very low | 27.9 | Very low | 113 Ų | 113 | 131.9 Ų | 131.9 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | cis | -157.9 | 163.2 | 8.9 | 85.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 639 | V | 30 | Very low | 28.1 | Very low | 141 Ų | 141 | 130 Ų | 130 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | 61.8 | 129 | 163.6 | 170.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 640 | G | 26.6 | Very low | 28.1 | Very low | 75 Ų | 75 | 130.5 Ų | 130.5 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | 176.1 | 122 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 641 | A | 27.5 | Very low | 28.3 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 88% | 0.876 | 76% | 0.764 | S | S | * | * | trans | -62.7 | 155.3 | -166 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 642 | K | 29.5 | Very low | 28 | Very low | 196 Ų | 196 | 132.3 Ų | 132.3 | 85% | 0.852 | 77% | 0.765 | S | S | * | * | trans | -55.3 | 170.8 | 157.4 | -97.9 | -176.8 | 178.6 | 176.7 | 0 | 112.9 | ||||
| 643 | P | 37.9 | Very low | 28 | Very low | 119 Ų | 119 | 130.8 Ų | 130.8 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | cis | -138.9 | 171.8 | -20.2 | 37.3 | -20 | 0 | 0 | 0 | 115.4 | ||||
| 644 | G | 25.5 | Very low | 28.2 | Very low | 77 Ų | 77 | 133.3 Ų | 133.3 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | trans | 94.8 | 109.8 | 141.3 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 645 | H | 26.9 | Very low | 28.2 | Very low | 198 Ų | 198 | 135.2 Ų | 135.2 | 92% | 0.917 | 78% | 0.775 | S | S | * | * | trans | -92.6 | 136.2 | 167.7 | -96.7 | -88.8 | 0 | 0 | 0 | 112.2 | ||||
| 646 | V | 25.2 | Very low | 28.2 | Very low | 131 Ų | 131 | 137.8 Ų | 137.8 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | -130.7 | 139.7 | 162.9 | 174.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 647 | A | 25.9 | Very low | 28.1 | Very low | 89 Ų | 89 | 140.4 Ų | 140.4 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | trans | -120.4 | 114.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 648 | V | 25.7 | Very low | 28.2 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 70% | 0.697 | 77% | 0.767 | S | S | * | * | 67.1 | 81.4 | 77.4 | 176 | 0 | 0 | 0 | 0 | 109.5 | |||||
| 649 | T | 28.7 | Very low | 28.2 | Very low | 120 Ų | 120 | 141.7 Ų | 141.7 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | 62.9 | 140.9 | 90.4 | 66.6 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 650 | K | 27.5 | Very low | 28.1 | Very low | 180 Ų | 180 | 144.5 Ų | 144.5 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | cis | -133.1 | -172.8 | 33.3 | -59.7 | 173.1 | -179.4 | 171.7 | 0 | 110.6 | ||||
| 651 | Q | 27.4 | Very low | 28.3 | Very low | 156 Ų | 156 | 146.4 Ų | 146.4 | 73% | 0.729 | 78% | 0.777 | S | S | * | * | cis | -155.7 | 174.3 | 18.8 | -157.8 | 153.5 | -13.1 | 0 | 0 | 113.9 | ||||
| 652 | Q | 30.8 | Very low | 28.3 | Very low | 146 Ų | 146 | 148.6 Ų | 148.6 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | trans | -45.4 | 165.8 | -172.5 | -67.1 | 143.9 | -68.7 | 0 | 0 | 117.4 | ||||
| 653 | Q | 29.4 | Very low | 28.7 | Very low | 159 Ų | 159 | 146 Ų | 146 | 74% | 0.743 | 77% | 0.767 | S | S | * | * | cis | -158.2 | 136.7 | 32 | -161.5 | 156.4 | -19.3 | 0 | 0 | 115.6 | ||||
| 654 | Q | 29.3 | Very low | 28.2 | Very low | 168 Ų | 168 | 147.8 Ų | 147.8 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | trans | 21 | 147 | 143.8 | -103.7 | 155.9 | -19 | 0 | 0 | 121.8 | ||||
| 655 | Q | 28.2 | Very low | 28.7 | Very low | 166 Ų | 166 | 151.5 Ų | 151.5 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | cis | -169.5 | 152.7 | 46.9 | 178.9 | 161.6 | -13.5 | 0 | 0 | 113.8 | ||||
| 656 | K | 28.6 | Very low | 28.6 | Very low | 162 Ų | 162 | 150.6 Ų | 150.6 | 70% | 0.704 | 76% | 0.759 | S | S | * | * | trans | 15.3 | 150.5 | 154 | -102.4 | -179.4 | 165.7 | -130.4 | 0 | 121.1 | ||||
| 657 | E | 25.4 | Very low | 28.8 | Very low | 155 Ų | 155 | 149.9 Ų | 149.9 | 72% | 0.724 | 76% | 0.758 | S | S | * | * | cis | -170.3 | 173.4 | 11.1 | -162.7 | 159.2 | -173.3 | 0 | 0 | 111 | ||||
| 658 | G | 27 | Very low | 28.7 | Very low | 68 Ų | 68 | 156.2 Ų | 156.2 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | 123.7 | 9.7 | 129 | 0 | 0 | 0 | 0 | 0 | 125.6 | |||||
| 659 | R | 29.8 | Very low | 28.8 | Very low | 248 Ų | 248 | 156.3 Ų | 156.3 | 94% | 0.936 | 77% | 0.768 | S | S | * | * | trans | 28.8 | 112.2 | 154.7 | -178.2 | -161 | -173.1 | -179.2 | 4 | 120 | ||||
| 660 | K | 26.3 | Very low | 28.8 | Very low | 201 Ų | 201 | 158 Ų | 158 | 87% | 0.874 | 77% | 0.772 | S | S | * | * | -165.9 | 146.4 | 124.3 | -155.6 | 172.2 | 174.8 | -171.1 | 0 | 114.9 | |||||
| 661 | V | 31.9 | Very low | 28.9 | Very low | 115 Ų | 115 | 158 Ų | 158 | 70% | 0.697 | 77% | 0.774 | S | S | * | * | trans | -52.8 | 136.6 | 169.8 | 173.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 662 | D | 26.7 | Very low | 29 | Very low | 151 Ų | 151 | 156.4 Ų | 156.4 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | -164.3 | 168.1 | 106.5 | -128.4 | -51.6 | 0 | 0 | 0 | 115 | |||||
| 663 | I | 38.4 | Very low | 28.9 | Very low | 141 Ų | 141 | 157.8 Ų | 157.8 | 72% | 0.723 | 78% | 0.782 | S | S | * | * | trans | -96.9 | 128.3 | -174.1 | -62.9 | 172.2 | 0 | 0 | 0 | 111 | L665 | I663-L665 HydrophobicContact CG2-CD1 3.74Š| ||
| 664 | H | 27.8 | Very low | 29 | Very low | 158 Ų | 158 | 156 Ų | 156 | 73% | 0.731 | 78% | 0.783 | S | S | * | * | trans | -128.7 | 107.5 | 171 | 179.9 | -98.8 | 0 | 0 | 0 | 112 | ||||
| 665 | L | 36.3 | Very low | 28.9 | Very low | 154 Ų | 154 | 153.3 Ų | 153.3 | 81% | 0.806 | 78% | 0.784 | S | S | * | * | trans | -80.6 | 124.3 | 166.2 | -79.9 | 76.5 | 0 | 0 | 0 | 109.8 | I663 | I663-L665 HydrophobicContact CG2-CD1 3.74Š| ||
| 666 | K | 24.7 | Very low | 29.1 | Very low | 179 Ų | 179 | 155 Ų | 155 | 78% | 0.778 | 79% | 0.791 | S | S | * | * | trans | -149.5 | 138.9 | 150.5 | -150.6 | 154.2 | -172.5 | 170 | 0 | 111.6 | ||||
| 667 | P | 29.3 | Very low | 29.2 | Very low | 117 Ų | 117 | 155.9 Ų | 155.9 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | -103.8 | 156.4 | -163.7 | 38.7 | -35.6 | 0 | 0 | 0 | 115.5 | ||||
| 668 | R | 24.6 | Very low | 29.5 | Very low | 221 Ų | 221 | 157.8 Ų | 157.8 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | 57.4 | 90.8 | 141.4 | -163 | -180 | -158.5 | 158.8 | 4.1 | 117.9 | ||||
| 669 | S | 26.4 | Very low | 30.1 | Very low | 118 Ų | 118 | 160 Ų | 160 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | trans | -74.2 | 145.2 | 147.1 | 49.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 670 | L | 28.6 | Very low | 30.6 | Very low | 155 Ų | 155 | 155.6 Ų | 155.6 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | trans | -83.6 | 138.4 | 171 | -70.9 | 161.8 | 0 | 0 | 0 | 109.1 | ||||
| 671 | H | 29.3 | Very low | 31.6 | Very low | 180 Ų | 180 | 151.9 Ų | 151.9 | 83% | 0.833 | 79% | 0.789 | S | S | * | * | trans | -118.4 | 125.2 | 166.8 | -157.8 | 69.7 | 0 | 0 | 0 | 109.3 | ||||
| 672 | T | 30 | Very low | 32.5 | Very low | 122 Ų | 122 | 152.8 Ų | 152.8 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 130.5 | -175.1 | -53.1 | 0 | 0 | 0 | 0 | 110.1 | ||
| 673 | H | 29 | Very low | 33.6 | Very low | 176 Ų | 176 | 149.9 Ų | 149.9 | 82% | 0.815 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 133.8 | 169.5 | -91 | -96.6 | 0 | 0 | 0 | 110.1 | ||
| 674 | P | 30.6 | Very low | 34.5 | Very low | 120 Ų | 120 | 147.3 Ų | 147.3 | 78% | 0.779 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -63.3 | 141.7 | 167.3 | 28 | -33.4 | 0 | 0 | 0 | 110 | ||
| 675 | S | 27.9 | Very low | 36.3 | Very low | 113 Ų | 113 | 143.1 Ų | 143.1 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 149.8 | 179.8 | 46 | 0 | 0 | 0 | 0 | 112.2 | E677 | S675-E677 PolarHBondContact O-N 3.37Š|
| 676 | H | 32.1 | Very low | 37.7 | Very low | 200 Ų | 200 | 142.3 Ų | 142.3 | 93% | 0.926 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 119.3 | 172.9 | -92 | -95.6 | 0 | 0 | 0 | 111.7 | ||
| 677 | E | 30.7 | Very low | 39.9 | Very low | 181 Ų | 181 | 139.5 Ų | 139.5 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 136.4 | 170.9 | -162.7 | 160.2 | -143.6 | 0 | 0 | 110 | S675 | S675-E677 PolarHBondContact O-N 3.37Š|
| 678 | R | 32.2 | Very low | 41.7 | Very low | 195 Ų | 195 | 137.2 Ų | 137.2 | 74% | 0.736 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 134.8 | -177.8 | 173.4 | -175.8 | -92.3 | 140.1 | -11 | 109 | H680 | R678-H680 PolarHBondContact O-CD2 3.28Å; R678-H680 PolarHBondContact O-N 2.91Å; R678-H680 VanDerWaalsContact O-N 3.14Å |
| 679 | P | 38.7 | Very low | 43.9 | Very low | 116 Ų | 116 | 132.2 Ų | 132.2 | 75% | 0.753 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 117.3 | 173.1 | 26.8 | -33.5 | 0 | 0 | 0 | 110.1 | S681 | P679-S681 VanDerWaalsContact C-N 3.35Å; P679-S681 PolarHBondContact O-N 3.42Å |
| 680 | H | 40.6 | Very low | 46.2 | Very low | 154 Ų | 154 | 131 Ų | 131 | 71% | 0.713 | 68% | 0.683 | S | S | * | * | trans | -73.1 | 87.7 | 174.3 | -77.8 | -100.4 | 0 | 0 | 0 | 110 | R678 L682 | R678-H680 PolarHBondContact O-CD2 3.28Å; R678-H680 PolarHBondContact O-N 2.91Å; R678-H680 VanDerWaalsContact O-N 3.14Å; H680-L682 PolarHBondContact O-N 2.95Å | ||
| 681 | S | 47 | Very low | 48.5 | Very low | 123 Ų | 123 | 127.1 Ų | 127.1 | 86% | 0.86 | 67% | 0.666 | S | S | * | * | trans | -77.5 | 48.8 | 173 | -174 | 0 | 0 | 0 | 0 | 112.3 | P679 A683 | P679-S681 VanDerWaalsContact C-N 3.35Å; P679-S681 PolarHBondContact O-N 3.42Å; S681-A683 PolarHBondContact O-N 3.44Å | ||
| 682 | L | 50.7 | Low | 50.6 | Low | 135 Ų | 135 | 121.8 Ų | 121.8 | 71% | 0.707 | 64% | 0.64 | S | S | * | * | trans | -72.6 | 118.1 | 152.9 | -82 | 166 | 0 | 0 | 0 | 106.3 | H680 D684 | H680-L682 PolarHBondContact O-N 2.95Å; L682-D684 PolarHBondContact O-N 3.18Å | ||
| 683 | A | 50.3 | Low | 52.7 | Low | 89 Ų | 89 | 120.4 Ų | 120.4 | 74% | 0.736 | 63% | 0.627 | S | S | * | * | trans | -56.7 | 128.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107 | S681 L685 | S681-A683 PolarHBondContact O-N 3.44Å; A683-L685 PolarHBondContact O-N 3.47Å | ||
| 684 | D | 58.2 | Low | 55.1 | Low | 87 Ų | 87 | 116.8 Ų | 116.8 | 47% | 0.465 | 61% | 0.613 | S | S | . | * | trans | -54.3 | 109.2 | -161.1 | -179.6 | 10.4 | 0 | 0 | 0 | 111.6 | L682 K686 M687 Y688 | L682-D684 PolarHBondContact O-N 3.18Å; D684-K686 PolarHBondContact O-N 2.93Å; D684-K686 VanDerWaalsContact O-N 3.13Å; D684-K686 WeakPolarHBondContact OD1-CB 3.3Å; D684-K686 PolarHBondContact OD1-N 2.79Å; D684-M687 HydrophobicContact CB-CB 3.91Å; D684-M687 WeakPolarHBondContact O-CA 3.33Å; D684-M687 WeakPolarHBondContact O-CB 3.44Å; D684-M687 PolarHBondContact O-N 3.23Å; D684-Y688 PolarHBondContact O-N 3.47Å | ||
| 685 | L | 64.3 | Low | 57.3 | Low | 70 Ų | 70 | 113.7 Ų | 113.7 | 37% | 0.366 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.2 | -25.7 | -177.5 | -178.6 | 62.2 | 0 | 0 | 0 | 111 | A683 K689 I733 | A683-L685 PolarHBondContact O-N 3.47Å; L685-K689 HydrophobicContact CG-CD 4.39Å; L685-K689 WeakPolarHBondContact O-CB 3.46Å; L685-K689 VanDerWaalsContact O-CG 3.24Å; L685-K689 WeakPolarHBondContact O-CG 3.29Å; L685-K689 PolarHBondContact O-N 3.36Å; L685-K689 VanDerWaalsContact O-N 3.08Å; L685-I733 HydrophobicContact CD1-CD1 4.11Å |
| 686 | K | 66.5 | Low | 59.5 | Low | 138 Ų | 138 | 110.8 Ų | 110.8 | 60% | 0.6 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -68 | -51.9 | 170.6 | -171.2 | -172.2 | 173.3 | -171.6 | 0 | 110.8 | D684 Y688 K689 D690 | D684-K686 PolarHBondContact O-N 2.93Å; D684-K686 VanDerWaalsContact O-N 3.13Å; D684-K686 WeakPolarHBondContact OD1-CB 3.3Å; D684-K686 PolarHBondContact OD1-N 2.79Å; K686-Y688 VanDerWaalsContact C-N 3.31Å; K686-Y688 PolarHBondContact O-N 2.62Å; K686-K689 PolarHBondContact O-N 2.85Å; K686-K689 VanDerWaalsContact O-N 3.1Å; K686-D690 WeakPolarHBondContact O-CB 3.28Å; K686-D690 VanDerWaalsContact O-CG 3.27Å; K686-D690 PolarHBondContact O-N 2.79Å |
| 687 | M | 70.2 | Confident | 61.4 | Low | 119 Ų | 119 | 106.8 Ų | 106.8 | 59% | 0.586 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -59.5 | -37.3 | 177.5 | -169.8 | 176.8 | 70 | 0 | 0 | 113 | D684 T691 | D684-M687 HydrophobicContact CB-CB 3.91Å; D684-M687 WeakPolarHBondContact O-CA 3.33Å; D684-M687 WeakPolarHBondContact O-CB 3.44Å; D684-M687 PolarHBondContact O-N 3.23Å; M687-T691 VanDerWaalsContact O-CB 3.26Å; M687-T691 WeakPolarHBondContact O-CB 3.35Å; M687-T691 PolarHBondContact O-N 2.83Å; M687-T691 PolarHBondContact O-OG1 2.69Å |
| 688 | Y | 67.1 | Low | 63.3 | Low | 69 Ų | 69 | 104.6 Ų | 104.6 | 27% | 0.271 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.1 | -47.7 | 171.9 | -179.8 | -89.8 | 0 | 0 | 0 | 111.5 | D684 K686 D690 T691 K692 D725 M729 | D684-Y688 PolarHBondContact O-N 3.47Å; K686-Y688 VanDerWaalsContact C-N 3.31Å; K686-Y688 PolarHBondContact O-N 2.62Å; Y688-D690 PolarHBondContact O-N 3.11Å; Y688-T691 PolarHBondContact O-N 2.84Å; Y688-K692 HydrophobicContact CE1-CB 4.45Å; Y688-K692 HydrophobicContact CE1-CD 4.15Å; Y688-K692 WeakPolarHBondContact O-CB 3.2Å; Y688-K692 PolarHBondContact O-N 3.15Å; Y688-D725 PolarHBondContact OH-OD2 3.46Å; Y688-M729 HydrophobicContact CD1-CE 4.36Å; Y688-M729 HydrophobicContact CD1-SD 3.67Å; Y688-M729 HydrophobicContact CD2-CE 3.87Å; Y688-M729 HydrophobicContact CD2-SD 4.25Å; Y688-M729 HydrophobicContact CE1-CE 3.91Å; Y688-M729 HydrophobicContact CE1-SD 3.32Å; Y688-M729 WeakPolarHBondContact CE1-SD 3.43Å; Y688-M729 HydrophobicContact CE2-CE 3.33Å; Y688-M729 HydrophobicContact CE2-SD 3.93Å; Y688-M729 HydrophobicContact CG-CE 4.35Å; Y688-M729 HydrophobicContact CG-SD 4.13Å |
| 689 | K | 71.4 | Confident | 65.2 | Low | 117 Ų | 117 | 96.8 Ų | 96.8 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 177.5 | -76.3 | 176.1 | 178.3 | -174.2 | 0 | 112.6 | L685 K686 T691 K692 I693 | L685-K689 HydrophobicContact CG-CD 4.39Å; L685-K689 WeakPolarHBondContact O-CB 3.46Å; L685-K689 VanDerWaalsContact O-CG 3.24Å; L685-K689 WeakPolarHBondContact O-CG 3.29Å; L685-K689 PolarHBondContact O-N 3.36Å; L685-K689 VanDerWaalsContact O-N 3.08Å; K686-K689 PolarHBondContact O-N 2.85Å; K686-K689 VanDerWaalsContact O-N 3.1Å; K689-T691 VanDerWaalsContact C-N 3.32Å; K689-T691 PolarHBondContact O-N 3.46Å; K689-K692 PolarHBondContact O-N 2.93Å; K689-I693 VanDerWaalsContact O-CG1 3.3Å; K689-I693 WeakPolarHBondContact O-CG1 3.23Å; K689-I693 PolarHBondContact O-N 3.16Å |
| 690 | D | 74.3 | Confident | 66.7 | Low | 91 Ų | 91 | 98 Ų | 98 | 49% | 0.487 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.3 | -39.8 | 177 | -69.2 | -20 | 0 | 0 | 0 | 110.8 | K686 Y688 L694 | K686-D690 WeakPolarHBondContact O-CB 3.28Å; K686-D690 VanDerWaalsContact O-CG 3.27Å; K686-D690 PolarHBondContact O-N 2.79Å; Y688-D690 PolarHBondContact O-N 3.11Å; D690-L694 WeakPolarHBondContact O-CB 3.39Å; D690-L694 PolarHBondContact O-N 3.09Å |
| 691 | T | 77.4 | Confident | 67.7 | Low | 74 Ų | 74 | 97 Ų | 97 | 45% | 0.454 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.3 | -41.7 | 175.6 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | M687 Y688 K689 I693 L694 V695 | M687-T691 VanDerWaalsContact O-CB 3.26Å; M687-T691 WeakPolarHBondContact O-CB 3.35Å; M687-T691 PolarHBondContact O-N 2.83Å; M687-T691 PolarHBondContact O-OG1 2.69Å; Y688-T691 PolarHBondContact O-N 2.84Å; K689-T691 VanDerWaalsContact C-N 3.32Å; K689-T691 PolarHBondContact O-N 3.46Å; T691-I693 PolarHBondContact O-N 2.83Å; T691-L694 WeakPolarHBondContact O-CB 3.44Å; T691-L694 PolarHBondContact O-N 2.78Å; T691-V695 HydrophobicContact CG2-CG2 4.28Å; T691-V695 WeakPolarHBondContact O-CG2 3.49Å; T691-V695 PolarHBondContact O-N 3.39Å |
| 692 | K | 72.7 | Confident | 68.4 | Low | 68 Ų | 68 | 93.2 Ų | 93.2 | 30% | 0.296 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60 | -44.1 | 175.2 | 179.7 | 174.6 | 174.4 | -179.1 | 0 | 111.6 | Y688 K689 L694 V695 A696 E726 | Y688-K692 HydrophobicContact CE1-CB 4.45Å; Y688-K692 HydrophobicContact CE1-CD 4.15Å; Y688-K692 WeakPolarHBondContact O-CB 3.2Å; Y688-K692 PolarHBondContact O-N 3.15Å; K689-K692 PolarHBondContact O-N 2.93Å; K692-L694 VanDerWaalsContact C-N 3.33Å; K692-L694 PolarHBondContact O-N 3.08Å; K692-V695 PolarHBondContact O-N 3.3Å; K692-A696 VanDerWaalsContact O-CB 3.28Å; K692-A696 WeakPolarHBondContact O-CB 3.33Å; K692-A696 PolarHBondContact O-N 3.49Å; K692-E726 VanDerWaalsContact CE-OE2 3.31Å; K692-E726 WeakPolarHBondContact CE-OE2 3.36Å; K692-E726 IonicContact NZ-OE1 3.16Å; K692-E726 PolarHBondContact NZ-OE1 2.95Å; K692-E726 IonicContact NZ-OE2 3.51Å; K692-E726 PolarHBondContact NZ-OE2 2.84Å |
| 693 | I | 75.8 | Confident | 68.7 | Low | 94 Ų | 94 | 90 Ų | 90 | 48% | 0.482 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 175.2 | -68.2 | 164.1 | 0 | 0 | 0 | 111.2 | K689 T691 K697 | K689-I693 VanDerWaalsContact O-CG1 3.3Å; K689-I693 WeakPolarHBondContact O-CG1 3.23Å; K689-I693 PolarHBondContact O-N 3.16Å; T691-I693 PolarHBondContact O-N 2.83Å; I693-K697 HydrophobicContact CG2-CD 4.42Å; I693-K697 WeakPolarHBondContact O-CG 3.41Å; I693-K697 PolarHBondContact O-N 3.33Å; I693-K697 VanDerWaalsContact O-N 3.17Å |
| 694 | L | 79.4 | Confident | 68.9 | Low | 99 Ų | 99 | 90.5 Ų | 90.5 | 52% | 0.518 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.8 | -46.9 | 177.6 | -175 | 62.8 | 0 | 0 | 0 | 111.9 | D690 T691 K692 K697 F698 | D690-L694 WeakPolarHBondContact O-CB 3.39Å; D690-L694 PolarHBondContact O-N 3.09Å; T691-L694 WeakPolarHBondContact O-CB 3.44Å; T691-L694 PolarHBondContact O-N 2.78Å; K692-L694 VanDerWaalsContact C-N 3.33Å; K692-L694 PolarHBondContact O-N 3.08Å; L694-K697 PolarHBondContact O-N 3.34Å; L694-F698 HydrophobicContact CD1-CD2 4.12Å; L694-F698 HydrophobicContact CD1-CE2 3.71Å; L694-F698 HydrophobicContact CD2-CE2 4.44Å; L694-F698 HydrophobicContact CG-CD2 4.03Å; L694-F698 HydrophobicContact CG-CE2 3.86Å; L694-F698 VanDerWaalsContact O-CD2 3.29Å; L694-F698 WeakPolarHBondContact O-CD2 3.49Å; L694-F698 PolarHBondContact O-N 3.46Å |
| 695 | V | 76.3 | Confident | 68.9 | Low | 55 Ų | 55 | 89.2 Ų | 89.2 | 33% | 0.333 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 179 | 172.9 | 0 | 0 | 0 | 0 | 111.3 | T691 K692 K697 F698 L699 I722 | T691-V695 HydrophobicContact CG2-CG2 4.28Å; T691-V695 WeakPolarHBondContact O-CG2 3.49Å; T691-V695 PolarHBondContact O-N 3.39Å; K692-V695 PolarHBondContact O-N 3.3Å; V695-K697 VanDerWaalsContact C-N 3.34Å; V695-K697 PolarHBondContact O-N 2.97Å; V695-F698 PolarHBondContact O-N 2.86Å; V695-L699 HydrophobicContact CG1-CD1 3.91Å; V695-L699 HydrophobicContact CG1-CG 4.45Å; V695-L699 WeakPolarHBondContact O-CG 3.45Å; V695-L699 PolarHBondContact O-N 3.44Å; V695-I722 HydrophobicContact CG1-CD1 3.57Å |
| 696 | A | 73.6 | Confident | 68.6 | Low | 52 Ų | 52 | 92.1 Ų | 92.1 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -56.3 | -48 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K692 F698 L699 E700 | K692-A696 VanDerWaalsContact O-CB 3.28Å; K692-A696 WeakPolarHBondContact O-CB 3.33Å; K692-A696 PolarHBondContact O-N 3.49Å; A696-F698 PolarHBondContact O-N 3.25Å; A696-L699 PolarHBondContact O-N 3.27Å; A696-E700 WeakPolarHBondContact O-CB 3.39Å; A696-E700 PolarHBondContact O-N 3.24Å |
| 697 | K | 71.4 | Confident | 68.7 | Low | 116 Ų | 116 | 88.2 Ų | 88.2 | 50% | 0.504 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.7 | -36.7 | 176.8 | -76.3 | 178.9 | 176 | -178 | 0 | 113.6 | I693 L694 V695 H701 | I693-K697 HydrophobicContact CG2-CD 4.42Å; I693-K697 WeakPolarHBondContact O-CG 3.41Å; I693-K697 PolarHBondContact O-N 3.33Å; I693-K697 VanDerWaalsContact O-N 3.17Å; L694-K697 PolarHBondContact O-N 3.34Å; V695-K697 VanDerWaalsContact C-N 3.34Å; V695-K697 PolarHBondContact O-N 2.97Å; K697-H701 WeakPolarHBondContact O-CB 3.31Å; K697-H701 PolarHBondContact O-CD2 3.41Å; K697-H701 PolarHBondContact O-N 2.85Å |
| 698 | F | 72.1 | Confident | 68.8 | Low | 136 Ų | 136 | 85.8 Ų | 85.8 | 60% | 0.596 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -64.9 | -45.2 | 175 | -88.3 | -66.2 | 0 | 0 | 0 | 111.9 | L694 V695 A696 H701 S702 | L694-F698 HydrophobicContact CD1-CD2 4.12Å; L694-F698 HydrophobicContact CD1-CE2 3.71Å; L694-F698 HydrophobicContact CD2-CE2 4.44Å; L694-F698 HydrophobicContact CG-CD2 4.03Å; L694-F698 HydrophobicContact CG-CE2 3.86Å; L694-F698 VanDerWaalsContact O-CD2 3.29Å; L694-F698 WeakPolarHBondContact O-CD2 3.49Å; L694-F698 PolarHBondContact O-N 3.46Å; V695-F698 PolarHBondContact O-N 2.86Å; A696-F698 PolarHBondContact O-N 3.25Å; F698-H701 PolarHBondContact O-N 3.41Å; F698-S702 WeakPolarHBondContact O-CB 3.45Å; F698-S702 PolarHBondContact O-N 3.05Å; F698-S702 PolarHBondContact O-OG 3.41Å |
| 699 | L | 70.6 | Confident | 68.7 | Low | 30 Ų | 30 | 87.2 Ų | 87.2 | 16% | 0.157 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -66.1 | -38 | 178.2 | -64.5 | 166.6 | 0 | 0 | 0 | 112.2 | V695 A696 S703 V715 I718 I722 | V695-L699 HydrophobicContact CG1-CD1 3.91Å; V695-L699 HydrophobicContact CG1-CG 4.45Å; V695-L699 WeakPolarHBondContact O-CG 3.45Å; V695-L699 PolarHBondContact O-N 3.44Å; A696-L699 PolarHBondContact O-N 3.27Å; L699-S703 PolarHBondContact O-N 3.38Å; L699-S703 VanDerWaalsContact O-N 3.1Å; L699-S703 PolarHBondContact O-OG 3.32Å; L699-V715 HydrophobicContact CD2-CG1 4.04Å; L699-I718 HydrophobicContact CD1-CG2 4.25Å; L699-I718 HydrophobicContact CD2-CG2 4.02Å; L699-I722 HydrophobicContact CD1-CD1 3.61Å |
| 700 | E | 70.9 | Confident | 68.5 | Low | 142 Ų | 142 | 87.4 Ų | 87.4 | 66% | 0.664 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -64.4 | -46.8 | 174.6 | -171.9 | 175.5 | -160 | 0 | 0 | 111.6 | A696 S703 | A696-E700 WeakPolarHBondContact O-CB 3.39Å; A696-E700 PolarHBondContact O-N 3.24Å; E700-S703 PolarHBondContact O-N 2.97Å |
| 701 | H | 62.1 | Low | 68.5 | Low | 133 Ų | 133 | 86.1 Ų | 86.1 | 62% | 0.616 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.8 | -45.4 | 173.9 | -84.3 | -60.3 | 0 | 0 | 0 | 112.6 | K697 F698 S703 S704 | K697-H701 WeakPolarHBondContact O-CB 3.31Å; K697-H701 PolarHBondContact O-CD2 3.41Å; K697-H701 PolarHBondContact O-N 2.85Å; F698-H701 PolarHBondContact O-N 3.41Å; H701-S703 PolarHBondContact O-N 3.37Å; H701-S704 PolarHBondContact O-N 3.5Å; H701-S704 VanDerWaalsContact O-N 3.08Å; H701-S704 PolarHBondContact O-OG 3.45Å |
| 702 | S | 60.5 | Low | 68.3 | Low | 43 Ų | 43 | 85.3 Ų | 85.3 | 30% | 0.301 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -58.5 | -35.2 | 177.3 | -73.4 | 0 | 0 | 0 | 0 | 112.8 | F698 S704 S705 L707 | F698-S702 WeakPolarHBondContact O-CB 3.45Å; F698-S702 PolarHBondContact O-N 3.05Å; F698-S702 PolarHBondContact O-OG 3.41Å; S702-S704 PolarHBondContact O-N 3.43Å; S702-S705 PolarHBondContact O-N 2.92Å; S702-S705 PolarHBondContact O-OG 2.97Å; S702-L707 VanDerWaalsContact O-CD1 3.26Å; S702-L707 WeakPolarHBondContact O-CD1 3.48Å |
| 703 | S | 57.4 | Low | 68.4 | Low | 68 Ų | 68 | 88 Ų | 88 | 48% | 0.476 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -10.6 | 178.9 | -55.6 | 0 | 0 | 0 | 0 | 114.2 | L699 E700 H701 | L699-S703 PolarHBondContact O-N 3.38Å; L699-S703 VanDerWaalsContact O-N 3.1Å; L699-S703 PolarHBondContact O-OG 3.32Å; E700-S703 PolarHBondContact O-N 2.97Å; H701-S703 PolarHBondContact O-N 3.37Å |
| 704 | S | 55.7 | Low | 68.5 | Low | 100 Ų | 100 | 87.4 Ų | 87.4 | 70% | 0.699 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -15.6 | 179.9 | 71.6 | 0 | 0 | 0 | 0 | 114.5 | H701 S702 | H701-S704 PolarHBondContact O-N 3.5Å; H701-S704 VanDerWaalsContact O-N 3.08Å; H701-S704 PolarHBondContact O-OG 3.45Å; S702-S704 PolarHBondContact O-N 3.43Å |
| 705 | S | 57 | Low | 68.5 | Low | 60 Ų | 60 | 83.4 Ų | 83.4 | 42% | 0.42 | 47% | 0.47 | S | S | . | . | S | Bend | trans | -91.6 | 142.5 | 171.9 | 50.4 | 0 | 0 | 0 | 0 | 110.7 | S702 L707 | S702-S705 PolarHBondContact O-N 2.92Å; S702-S705 PolarHBondContact O-OG 2.97Å; S705-L707 PolarHBondContact O-N 3.07Å |
| 706 | S | 57.5 | Low | 68.5 | Low | 131 Ų | 131 | 84.3 Ų | 84.3 | 92% | 0.916 | 47% | 0.473 | S | S | * | . | trans | -63.4 | 101.9 | 169.6 | -174.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 707 | L | 68.4 | Low | 68.9 | Low | 55 Ų | 55 | 85.5 Ų | 85.5 | 29% | 0.288 | 47% | 0.472 | S | S | . | . | trans | -104.7 | 148.9 | 178 | -68.9 | 178.6 | 0 | 0 | 0 | 110.6 | S702 S705 V711 | S702-L707 VanDerWaalsContact O-CD1 3.26Å; S702-L707 WeakPolarHBondContact O-CD1 3.48Å; S705-L707 PolarHBondContact O-N 3.07Å; L707-V711 HydrophobicContact CB-CB 4.39Å; L707-V711 HydrophobicContact CD1-CG1 4.04Å | ||
| 708 | P | 73.1 | Confident | 69.4 | Low | 68 Ų | 68 | 83.6 Ų | 83.6 | 44% | 0.442 | 47% | 0.467 | S | S | . | . | trans | -57.9 | 148.1 | 171.5 | -23.2 | 34.2 | 0 | 0 | 0 | 112.1 | E710 V711 Q712 | P708-E710 WeakPolarHBondContact CB-OE2 3.2Å; P708-E710 PolarHBondContact O-N 3.36Å; P708-V711 HydrophobicContact CB-CG2 4.28Å; P708-V711 HydrophobicContact CG-CG2 4.32Å; P708-V711 WeakPolarHBondContact O-CB 3.47Å; P708-V711 PolarHBondContact O-N 3.1Å; P708-Q712 PolarHBondContact O-N 3.42Å | ||
| 709 | P | 66.1 | Low | 69.6 | Low | 99 Ų | 99 | 82.8 Ų | 82.8 | 64% | 0.643 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -59.8 | -31.2 | -174.4 | 24.2 | -34 | 0 | 0 | 0 | 113.2 | V711 Q712 Q713 | P709-V711 VanDerWaalsContact C-N 3.32Å; P709-V711 PolarHBondContact O-N 3.3Å; P709-Q712 PolarHBondContact O-N 2.75Å; P709-Q713 PolarHBondContact O-N 3.08Å |
| 710 | E | 66.8 | Low | 70 | Confident | 122 Ų | 122 | 83.6 Ų | 83.6 | 57% | 0.57 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.3 | -38 | 176.2 | -50 | 80.7 | -179.8 | 0 | 0 | 111.4 | P708 V714 | P708-E710 WeakPolarHBondContact CB-OE2 3.2Å; P708-E710 PolarHBondContact O-N 3.36Å; E710-V714 WeakPolarHBondContact O-CG2 3.36Å; E710-V714 PolarHBondContact O-N 2.7Å |
| 711 | V | 74.7 | Confident | 70.4 | Confident | 64 Ų | 64 | 81.4 Ų | 81.4 | 39% | 0.388 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -73.7 | -39.9 | 176.7 | -174 | 0 | 0 | 0 | 0 | 110.2 | L707 P708 P709 Q713 V714 V715 | L707-V711 HydrophobicContact CB-CB 4.39Å; L707-V711 HydrophobicContact CD1-CG1 4.04Å; P708-V711 HydrophobicContact CB-CG2 4.28Å; P708-V711 HydrophobicContact CG-CG2 4.32Å; P708-V711 WeakPolarHBondContact O-CB 3.47Å; P708-V711 PolarHBondContact O-N 3.1Å; P709-V711 VanDerWaalsContact C-N 3.32Å; P709-V711 PolarHBondContact O-N 3.3Å; V711-Q713 VanDerWaalsContact C-N 3.31Å; V711-Q713 PolarHBondContact O-N 3.28Å; V711-V714 PolarHBondContact O-N 2.93Å; V711-V715 WeakPolarHBondContact O-CG2 3.25Å; V711-V715 PolarHBondContact O-N 3.23Å |
| 712 | Q | 72.8 | Confident | 71.3 | Confident | 56 Ų | 56 | 77.4 Ų | 77.4 | 26% | 0.262 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -63.6 | -37.3 | 176.3 | -168.6 | 61 | 42.2 | 0 | 0 | 111.9 | P708 P709 V715 N716 | P708-Q712 PolarHBondContact O-N 3.42Å; P709-Q712 PolarHBondContact O-N 2.75Å; Q712-V715 PolarHBondContact O-N 3.48Å; Q712-N716 PolarHBondContact NE2-OD1 2.98Å; Q712-N716 VanDerWaalsContact NE2-OD1 3.12Å; Q712-N716 WeakPolarHBondContact O-CB 3.4Å; Q712-N716 PolarHBondContact O-N 3.14Å; Q712-N716 PolarHBondContact O-OD1 3.23Å |
| 713 | Q | 74.2 | Confident | 72 | Confident | 125 Ų | 125 | 80 Ų | 80 | 58% | 0.584 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.4 | -43.1 | 173.6 | -170.7 | 177.3 | 9.7 | 0 | 0 | 111.7 | P709 V711 N716 N717 | P709-Q713 PolarHBondContact O-N 3.08Å; V711-Q713 VanDerWaalsContact C-N 3.31Å; V711-Q713 PolarHBondContact O-N 3.28Å; Q713-N716 PolarHBondContact O-N 3.27Å; Q713-N717 WeakPolarHBondContact O-CB 3.42Å; Q713-N717 PolarHBondContact O-N 3.28Å; Q713-N717 PolarHBondContact O-OD1 3.47Å |
| 714 | V | 78.4 | Confident | 72.9 | Confident | 82 Ų | 82 | 79.5 Ų | 79.5 | 50% | 0.497 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.4 | -42.3 | 175.1 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | E710 V711 N716 N717 I718 | E710-V714 WeakPolarHBondContact O-CG2 3.36Å; E710-V714 PolarHBondContact O-N 2.7Å; V711-V714 PolarHBondContact O-N 2.93Å; V714-N716 PolarHBondContact O-N 2.71Å; V714-N717 PolarHBondContact O-N 2.87Å; V714-I718 HydrophobicContact CG1-CD1 3.78Å; V714-I718 HydrophobicContact CG1-CG1 4.47Å; V714-I718 WeakPolarHBondContact O-CB 3.43Å; V714-I718 VanDerWaalsContact O-CG1 3.26Å; V714-I718 WeakPolarHBondContact O-CG1 3.16Å; V714-I718 PolarHBondContact O-N 2.87Å |
| 715 | V | 79.8 | Confident | 73.8 | Confident | 15 Ų | 15 | 78.2 Ų | 78.2 | 9% | 0.091 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60.6 | -43.5 | 175.1 | 167.1 | 0 | 0 | 0 | 0 | 111.3 | L699 V711 Q712 I718 K719 | L699-V715 HydrophobicContact CD2-CG1 4.04Å; V711-V715 WeakPolarHBondContact O-CG2 3.25Å; V711-V715 PolarHBondContact O-N 3.23Å; Q712-V715 PolarHBondContact O-N 3.48Å; V715-I718 PolarHBondContact O-N 3.23Å; V715-K719 WeakPolarHBondContact O-CB 3.41Å; V715-K719 PolarHBondContact O-N 3.43Å |
| 716 | N | 76 | Confident | 74.9 | Confident | 74 Ų | 74 | 78.5 Ų | 78.5 | 40% | 0.396 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -65.1 | -45.2 | 176.7 | -70.7 | -7.6 | 0 | 0 | 0 | 111.6 | Q712 Q713 V714 I718 K719 C720 | Q712-N716 PolarHBondContact NE2-OD1 2.98Å; Q712-N716 VanDerWaalsContact NE2-OD1 3.12Å; Q712-N716 WeakPolarHBondContact O-CB 3.4Å; Q712-N716 PolarHBondContact O-N 3.14Å; Q712-N716 PolarHBondContact O-OD1 3.23Å; Q713-N716 PolarHBondContact O-N 3.27Å; V714-N716 PolarHBondContact O-N 2.71Å; N716-I718 VanDerWaalsContact C-N 3.34Å; N716-I718 PolarHBondContact O-N 3.04Å; N716-K719 WeakPolarHBondContact O-CB 3.49Å; N716-K719 PolarHBondContact O-N 3.29Å; N716-K719 VanDerWaalsContact O-N 3.11Å; N716-C720 PolarHBondContact O-N 2.79Å; N716-C720 PolarHBondContact O-SG 3.08Å; N716-C720 VanDerWaalsContact O-SG 3.34Å |
| 717 | N | 81.6 | Confident | 75.6 | Confident | 77 Ų | 77 | 79.3 Ų | 79.3 | 41% | 0.412 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 176.7 | -70.4 | -5 | 0 | 0 | 0 | 111.8 | Q713 V714 K719 C720 V721 | Q713-N717 WeakPolarHBondContact O-CB 3.42Å; Q713-N717 PolarHBondContact O-N 3.28Å; Q713-N717 PolarHBondContact O-OD1 3.47Å; V714-N717 PolarHBondContact O-N 2.87Å; N717-K719 VanDerWaalsContact C-N 3.35Å; N717-C720 PolarHBondContact O-N 2.86Å; N717-V721 WeakPolarHBondContact O-CG2 3.2Å; N717-V721 PolarHBondContact O-N 3.47Å |
| 718 | I | 81.7 | Confident | 75.7 | Confident | 76 Ų | 76 | 82.5 Ų | 82.5 | 39% | 0.39 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 174.3 | -70.4 | 166.1 | 0 | 0 | 0 | 110.8 | L699 V714 V715 N716 C720 V721 I722 | L699-I718 HydrophobicContact CD1-CG2 4.25Å; L699-I718 HydrophobicContact CD2-CG2 4.02Å; V714-I718 HydrophobicContact CG1-CD1 3.78Å; V714-I718 HydrophobicContact CG1-CG1 4.47Å; V714-I718 WeakPolarHBondContact O-CB 3.43Å; V714-I718 VanDerWaalsContact O-CG1 3.26Å; V714-I718 WeakPolarHBondContact O-CG1 3.16Å; V714-I718 PolarHBondContact O-N 2.87Å; V715-I718 PolarHBondContact O-N 3.23Å; N716-I718 VanDerWaalsContact C-N 3.34Å; N716-I718 PolarHBondContact O-N 3.04Å; I718-C720 VanDerWaalsContact C-N 3.34Å; I718-C720 PolarHBondContact O-N 3.33Å; I718-V721 PolarHBondContact O-N 3.11Å; I718-I722 HydrophobicContact CG2-CD1 3.68Å; I718-I722 HydrophobicContact CG2-CG1 4.5Å; I718-I722 WeakPolarHBondContact O-CD1 3.47Å; I718-I722 VanDerWaalsContact O-CG1 3.31Å; I718-I722 WeakPolarHBondContact O-CG1 3.29Å; I718-I722 PolarHBondContact O-N 3.45Å |
| 719 | K | 77.4 | Confident | 75.7 | Confident | 119 Ų | 119 | 81.6 Ų | 81.6 | 52% | 0.517 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 176.1 | -170.2 | -178.9 | -179.8 | -175.5 | 0 | 112.1 | V715 N716 N717 I722 K723 | V715-K719 WeakPolarHBondContact O-CB 3.41Å; V715-K719 PolarHBondContact O-N 3.43Å; N716-K719 WeakPolarHBondContact O-CB 3.49Å; N716-K719 PolarHBondContact O-N 3.29Å; N716-K719 VanDerWaalsContact O-N 3.11Å; N717-K719 VanDerWaalsContact C-N 3.35Å; K719-I722 PolarHBondContact O-N 3.13Å; K719-K723 PolarHBondContact O-N 3.21Å |
| 720 | C | 78.3 | Confident | 76.1 | Confident | 46 Ų | 46 | 83 Ų | 83 | 31% | 0.311 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 174.6 | -66.6 | 0 | 0 | 0 | 0 | 112.6 | C364 N716 N717 I718 I722 K723 S724 | C364-C720 HydrophobicContact CB-CB 4.44Å; N716-C720 PolarHBondContact O-N 2.79Å; N716-C720 PolarHBondContact O-SG 3.08Å; N716-C720 VanDerWaalsContact O-SG 3.34Å; N717-C720 PolarHBondContact O-N 2.86Å; I718-C720 VanDerWaalsContact C-N 3.34Å; I718-C720 PolarHBondContact O-N 3.33Å; C720-I722 VanDerWaalsContact C-N 3.34Å; C720-I722 PolarHBondContact O-N 2.87Å; C720-K723 PolarHBondContact O-N 3.31Å; C720-S724 PolarHBondContact O-N 3.01Å |
| 721 | V | 79.2 | Confident | 76.3 | Confident | 96 Ų | 96 | 83.2 Ų | 83.2 | 58% | 0.582 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -64.7 | -37.7 | 176.3 | 173.1 | 0 | 0 | 0 | 0 | 111.6 | N717 I718 S724 D725 | N717-V721 WeakPolarHBondContact O-CG2 3.2Å; N717-V721 PolarHBondContact O-N 3.47Å; I718-V721 PolarHBondContact O-N 3.11Å; V721-S724 PolarHBondContact O-N 3.19Å; V721-S724 PolarHBondContact O-OG 3.13Å; V721-S724 VanDerWaalsContact O-OG 3.07Å; V721-D725 WeakPolarHBondContact O-CB 3.45Å; V721-D725 PolarHBondContact O-N 3.29Å |
| 722 | I | 80.3 | Confident | 76.3 | Confident | 50 Ų | 50 | 82.8 Ų | 82.8 | 26% | 0.256 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -69.2 | -41.9 | 176.2 | -66.9 | 162.2 | 0 | 0 | 0 | 111.2 | V695 L699 I718 K719 C720 S724 D725 E726 | V695-I722 HydrophobicContact CG1-CD1 3.57Å; L699-I722 HydrophobicContact CD1-CD1 3.61Å; I718-I722 HydrophobicContact CG2-CD1 3.68Å; I718-I722 HydrophobicContact CG2-CG1 4.5Å; I718-I722 WeakPolarHBondContact O-CD1 3.47Å; I718-I722 VanDerWaalsContact O-CG1 3.31Å; I718-I722 WeakPolarHBondContact O-CG1 3.29Å; I718-I722 PolarHBondContact O-N 3.45Å; K719-I722 PolarHBondContact O-N 3.13Å; C720-I722 VanDerWaalsContact C-N 3.34Å; C720-I722 PolarHBondContact O-N 2.87Å; I722-S724 VanDerWaalsContact C-N 3.26Å; I722-S724 PolarHBondContact O-N 2.97Å; I722-D725 PolarHBondContact O-N 3.03Å; I722-E726 WeakPolarHBondContact O-CB 3.47Å; I722-E726 PolarHBondContact O-N 3.41Å |
| 723 | K | 76.1 | Confident | 76.4 | Confident | 96 Ų | 96 | 84 Ų | 84 | 42% | 0.417 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.1 | -34.4 | 173 | -88.4 | -162.6 | 170.2 | -169.6 | 0 | 112.4 | D361 K719 C720 | D361-K723 IonicContact OD1-NZ 2.81Å; D361-K723 PolarHBondContact OD1-NZ 2.92Å; D361-K723 IonicContact OD2-NZ 2.65Å; D361-K723 PolarHBondContact OD2-NZ 2.75Å; K719-K723 PolarHBondContact O-N 3.21Å; C720-K723 PolarHBondContact O-N 3.31Å |
| 724 | S | 75.7 | Confident | 76.3 | Confident | 58 Ų | 58 | 84.7 Ų | 84.7 | 41% | 0.406 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -79.9 | -39 | 178 | 72 | 0 | 0 | 0 | 0 | 113 | C720 V721 I722 E726 K727 H728 | C720-S724 PolarHBondContact O-N 3.01Å; V721-S724 PolarHBondContact O-N 3.19Å; V721-S724 PolarHBondContact O-OG 3.13Å; V721-S724 VanDerWaalsContact O-OG 3.07Å; I722-S724 VanDerWaalsContact C-N 3.26Å; I722-S724 PolarHBondContact O-N 2.97Å; S724-E726 VanDerWaalsContact C-N 3.29Å; S724-E726 PolarHBondContact O-N 3.45Å; S724-K727 PolarHBondContact O-N 3.29Å; S724-H728 PolarHBondContact O-N 3.36Å; S724-H728 PolarHBondContact O-ND1 2.96Å |
| 725 | D | 75.8 | Confident | 76 | Confident | 74 Ų | 74 | 83.5 Ų | 83.5 | 40% | 0.396 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -57.4 | -42 | 172.4 | -175.1 | 66.9 | 0 | 0 | 0 | 111.5 | Y688 V721 I722 K727 H728 M729 | Y688-D725 PolarHBondContact OH-OD2 3.46Å; V721-D725 WeakPolarHBondContact O-CB 3.45Å; V721-D725 PolarHBondContact O-N 3.29Å; I722-D725 PolarHBondContact O-N 3.03Å; D725-K727 PolarHBondContact O-N 3.49Å; D725-H728 PolarHBondContact O-N 2.91Å; D725-M729 WeakPolarHBondContact O-CB 3.26Å; D725-M729 PolarHBondContact O-N 3.34Å |
| 726 | E | 78.7 | Confident | 75.5 | Confident | 65 Ų | 65 | 85.3 Ų | 85.3 | 30% | 0.304 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -54.6 | -49.3 | 176.5 | 174.3 | 156.3 | -160.5 | 0 | 0 | 112.7 | K692 I722 S724 H728 M729 E730 | K692-E726 VanDerWaalsContact CE-OE2 3.31Å; K692-E726 WeakPolarHBondContact CE-OE2 3.36Å; K692-E726 IonicContact NZ-OE1 3.16Å; K692-E726 PolarHBondContact NZ-OE1 2.95Å; K692-E726 IonicContact NZ-OE2 3.51Å; K692-E726 PolarHBondContact NZ-OE2 2.84Å; I722-E726 WeakPolarHBondContact O-CB 3.47Å; I722-E726 PolarHBondContact O-N 3.41Å; S724-E726 VanDerWaalsContact C-N 3.29Å; S724-E726 PolarHBondContact O-N 3.45Å; E726-H728 PolarHBondContact O-N 3.11Å; E726-M729 PolarHBondContact O-N 3.37Å; E726-E730 PolarHBondContact O-N 3.35Å |
| 727 | K | 72.1 | Confident | 75.4 | Confident | 149 Ų | 149 | 86.5 Ų | 86.5 | 65% | 0.648 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -61.2 | -46.4 | 177.5 | -177.1 | -176.9 | 175 | -174.7 | 0 | 112.3 | S724 D725 M729 E730 E731 | S724-K727 PolarHBondContact O-N 3.29Å; D725-K727 PolarHBondContact O-N 3.49Å; K727-M729 VanDerWaalsContact C-N 3.26Å; K727-M729 PolarHBondContact O-N 2.89Å; K727-E730 PolarHBondContact O-N 2.92Å; K727-E731 PolarHBondContact O-N 3.22Å |
| 728 | H | 71.3 | Confident | 75.1 | Confident | 121 Ų | 121 | 85.7 Ų | 85.7 | 56% | 0.56 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -67 | -30.5 | 179.5 | -65.6 | 93.5 | 0 | 0 | 0 | 111.7 | S724 D725 E726 A732 | S724-H728 PolarHBondContact O-N 3.36Å; S724-H728 PolarHBondContact O-ND1 2.96Å; D725-H728 PolarHBondContact O-N 2.91Å; E726-H728 PolarHBondContact O-N 3.11Å; H728-A732 WeakPolarHBondContact O-CB 3.4Å; H728-A732 PolarHBondContact O-N 2.74Å |
| 729 | M | 73 | Confident | 74.6 | Confident | 50 Ų | 50 | 86.8 Ų | 86.8 | 25% | 0.246 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -72.7 | -38.9 | 175.3 | -173.5 | 163.1 | -57.5 | 0 | 0 | 112.7 | Y688 D725 E726 K727 E731 A732 I733 | Y688-M729 HydrophobicContact CD1-CE 4.36Å; Y688-M729 HydrophobicContact CD1-SD 3.67Å; Y688-M729 HydrophobicContact CD2-CE 3.87Å; Y688-M729 HydrophobicContact CD2-SD 4.25Å; Y688-M729 HydrophobicContact CE1-CE 3.91Å; Y688-M729 HydrophobicContact CE1-SD 3.32Å; Y688-M729 WeakPolarHBondContact CE1-SD 3.43Å; Y688-M729 HydrophobicContact CE2-CE 3.33Å; Y688-M729 HydrophobicContact CE2-SD 3.93Å; Y688-M729 HydrophobicContact CG-CE 4.35Å; Y688-M729 HydrophobicContact CG-SD 4.13Å; D725-M729 WeakPolarHBondContact O-CB 3.26Å; D725-M729 PolarHBondContact O-N 3.34Å; E726-M729 PolarHBondContact O-N 3.37Å; K727-M729 VanDerWaalsContact C-N 3.26Å; K727-M729 PolarHBondContact O-N 2.89Å; M729-E731 VanDerWaalsContact C-N 3.31Å; M729-E731 PolarHBondContact O-N 3.44Å; M729-A732 PolarHBondContact O-N 2.64Å; M729-I733 HydrophobicContact CG-CD1 3.79Å; M729-I733 HydrophobicContact CG-CG1 4.25Å; M729-I733 WeakPolarHBondContact O-CB 3.38Å; M729-I733 VanDerWaalsContact O-CG1 3.29Å; M729-I733 WeakPolarHBondContact O-CG1 3.48Å; M729-I733 PolarHBondContact O-N 3.12Å; M729-I733 HydrophobicContact SD-CD1 4.43Å |
| 730 | E | 74.4 | Confident | 74.3 | Confident | 128 Ų | 128 | 85.7 Ų | 85.7 | 60% | 0.598 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.9 | -39.5 | 174.7 | -71.3 | -171.2 | 156.8 | 0 | 0 | 111.5 | E726 K727 I733 F734 | E726-E730 PolarHBondContact O-N 3.35Å; K727-E730 PolarHBondContact O-N 2.92Å; E730-I733 PolarHBondContact O-N 2.95Å; E730-F734 VanDerWaalsContact O-CB 3.28Å; E730-F734 WeakPolarHBondContact O-CB 3.26Å; E730-F734 PolarHBondContact O-N 3.44Å |
| 731 | E | 71.8 | Confident | 74 | Confident | 126 Ų | 126 | 89 Ų | 89 | 59% | 0.589 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64.3 | -40.1 | 172.7 | -169.1 | 174.5 | 170.8 | 0 | 0 | 112.4 | K727 M729 S735 | K727-E731 PolarHBondContact O-N 3.22Å; M729-E731 VanDerWaalsContact C-N 3.31Å; M729-E731 PolarHBondContact O-N 3.44Å; E731-S735 WeakPolarHBondContact O-CB 3.31Å; E731-S735 PolarHBondContact O-N 3.24Å; E731-S735 PolarHBondContact O-OG 2.93Å |
| 732 | A | 74.4 | Confident | 73.4 | Confident | 56 Ų | 56 | 88.2 Ų | 88.2 | 46% | 0.463 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -66.7 | -37.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | H728 M729 S735 A736 | H728-A732 WeakPolarHBondContact O-CB 3.4Å; H728-A732 PolarHBondContact O-N 2.74Å; M729-A732 PolarHBondContact O-N 2.64Å; A732-S735 WeakPolarHBondContact CA-OG 3.14Å; A732-S735 PolarHBondContact O-OG 3.02Å; A732-S735 VanDerWaalsContact O-OG 3.13Å; A732-A736 WeakPolarHBondContact O-CB 3.37Å; A732-A736 PolarHBondContact O-N 2.97Å; A732-A736 VanDerWaalsContact O-N 3.13Å |
| 733 | I | 73.6 | Confident | 72.7 | Confident | 81 Ų | 81 | 90.8 Ų | 90.8 | 42% | 0.415 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -72.2 | -42.3 | 176.1 | -69.7 | 168.6 | 0 | 0 | 0 | 110.5 | L685 M729 E730 A736 N737 | L685-I733 HydrophobicContact CD1-CD1 4.11Å; M729-I733 HydrophobicContact CG-CD1 3.79Å; M729-I733 HydrophobicContact CG-CG1 4.25Å; M729-I733 WeakPolarHBondContact O-CB 3.38Å; M729-I733 VanDerWaalsContact O-CG1 3.29Å; M729-I733 WeakPolarHBondContact O-CG1 3.48Å; M729-I733 PolarHBondContact O-N 3.12Å; M729-I733 HydrophobicContact SD-CD1 4.43Å; E730-I733 PolarHBondContact O-N 2.95Å; I733-A736 PolarHBondContact O-N 2.98Å; I733-N737 WeakPolarHBondContact O-CB 3.22Å; I733-N737 PolarHBondContact O-N 3.21Å |
| 734 | F | 73.6 | Confident | 71.9 | Confident | 140 Ų | 140 | 89.3 Ų | 89.3 | 61% | 0.614 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.3 | -48.9 | 177.4 | -179.2 | -100.7 | 0 | 0 | 0 | 111.6 | E730 A736 N737 V738 | E730-F734 VanDerWaalsContact O-CB 3.28Å; E730-F734 WeakPolarHBondContact O-CB 3.26Å; E730-F734 PolarHBondContact O-N 3.44Å; F734-A736 PolarHBondContact O-N 2.84Å; F734-N737 PolarHBondContact O-N 2.96Å; F734-V738 HydrophobicContact CD1-CG2 4.24Å; F734-V738 HydrophobicContact CE1-CG2 3.85Å; F734-V738 HydrophobicContact CE2-CG2 4.35Å; F734-V738 HydrophobicContact CZ-CG2 3.92Å; F734-V738 WeakPolarHBondContact O-CG2 3.4Å; F734-V738 PolarHBondContact O-N 3.01Å |
| 735 | S | 70.6 | Confident | 71.1 | Confident | 57 Ų | 57 | 93 Ų | 93 | 40% | 0.399 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62.5 | -39.3 | 177.5 | 53.2 | 0 | 0 | 0 | 0 | 112.7 | E731 A732 V738 I739 | E731-S735 WeakPolarHBondContact O-CB 3.31Å; E731-S735 PolarHBondContact O-N 3.24Å; E731-S735 PolarHBondContact O-OG 2.93Å; A732-S735 WeakPolarHBondContact CA-OG 3.14Å; A732-S735 PolarHBondContact O-OG 3.02Å; A732-S735 VanDerWaalsContact O-OG 3.13Å; S735-V738 PolarHBondContact O-N 2.88Å; S735-I739 WeakPolarHBondContact O-CD1 3.45Å; S735-I739 VanDerWaalsContact O-CG1 3.27Å; S735-I739 WeakPolarHBondContact O-CG1 3.48Å; S735-I739 PolarHBondContact O-N 3.41Å |
| 736 | A | 70.8 | Confident | 70.1 | Confident | 52 Ų | 52 | 99.4 Ų | 99.4 | 43% | 0.43 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A732 I733 F734 I739 D740 | A732-A736 WeakPolarHBondContact O-CB 3.37Å; A732-A736 PolarHBondContact O-N 2.97Å; A732-A736 VanDerWaalsContact O-N 3.13Å; I733-A736 PolarHBondContact O-N 2.98Å; F734-A736 PolarHBondContact O-N 2.84Å; A736-I739 PolarHBondContact O-N 3.28Å; A736-D740 PolarHBondContact O-N 3.36Å |
| 737 | N | 72.8 | Confident | 68.9 | Low | 99 Ų | 99 | 103 Ų | 103 | 53% | 0.529 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.9 | -38.3 | 178.6 | -170.9 | 45.1 | 0 | 0 | 0 | 112.5 | I733 F734 D740 Q741 | I733-N737 WeakPolarHBondContact O-CB 3.22Å; I733-N737 PolarHBondContact O-N 3.21Å; F734-N737 PolarHBondContact O-N 2.96Å; N737-D740 PolarHBondContact O-N 2.91Å; N737-Q741 WeakPolarHBondContact O-CB 3.42Å; N737-Q741 PolarHBondContact O-N 2.91Å |
| 738 | V | 74.9 | Confident | 68 | Low | 61 Ų | 61 | 102.3 Ų | 102.3 | 37% | 0.37 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 173.3 | 170 | 0 | 0 | 0 | 0 | 111.1 | F734 S735 Q741 V742 | F734-V738 HydrophobicContact CD1-CG2 4.24Å; F734-V738 HydrophobicContact CE1-CG2 3.85Å; F734-V738 HydrophobicContact CE2-CG2 4.35Å; F734-V738 HydrophobicContact CZ-CG2 3.92Å; F734-V738 WeakPolarHBondContact O-CG2 3.4Å; F734-V738 PolarHBondContact O-N 3.01Å; S735-V738 PolarHBondContact O-N 2.88Å; V738-Q741 PolarHBondContact O-N 3.31Å; V738-V742 VanDerWaalsContact O-CG2 3.26Å; V738-V742 WeakPolarHBondContact O-CG2 3.1Å; V738-V742 PolarHBondContact O-N 3.46Å |
| 739 | I | 72.9 | Confident | 66.9 | Low | 98 Ų | 98 | 99.8 Ų | 99.8 | 50% | 0.503 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 176.9 | -69.5 | 163.8 | 0 | 0 | 0 | 111 | S735 A736 V742 M743 | S735-I739 WeakPolarHBondContact O-CD1 3.45Å; S735-I739 VanDerWaalsContact O-CG1 3.27Å; S735-I739 WeakPolarHBondContact O-CG1 3.48Å; S735-I739 PolarHBondContact O-N 3.41Å; A736-I739 PolarHBondContact O-N 3.28Å; I739-V742 PolarHBondContact O-N 3.31Å; I739-M743 HydrophobicContact CG2-CE 3.97Å; I739-M743 WeakPolarHBondContact O-CG 3.47Å; I739-M743 PolarHBondContact O-N 3.47Å |
| 740 | D | 70 | Confident | 65.3 | Low | 96 Ų | 96 | 102.5 Ų | 102.5 | 51% | 0.513 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.1 | -39.7 | 179 | -164.8 | 68.2 | 0 | 0 | 0 | 112.4 | A736 N737 V742 M743 T744 | A736-D740 PolarHBondContact O-N 3.36Å; N737-D740 PolarHBondContact O-N 2.91Å; D740-V742 PolarHBondContact O-N 3.05Å; D740-M743 PolarHBondContact O-N 2.97Å; D740-T744 WeakPolarHBondContact O-CB 3.46Å; D740-T744 PolarHBondContact O-N 3.18Å; D740-T744 PolarHBondContact O-OG1 3.27Å |
| 741 | Q | 72.3 | Confident | 63.9 | Low | 117 Ų | 117 | 102 Ų | 102 | 55% | 0.547 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.8 | -41.1 | 173.8 | -171.3 | 173.7 | 91.1 | 0 | 0 | 112 | N737 V738 T744 Q745 | N737-Q741 WeakPolarHBondContact O-CB 3.42Å; N737-Q741 PolarHBondContact O-N 2.91Å; V738-Q741 PolarHBondContact O-N 3.31Å; Q741-T744 PolarHBondContact O-N 3.39Å; Q741-Q745 PolarHBondContact O-N 3.09Å |
| 742 | V | 66.8 | Low | 62.4 | Low | 78 Ų | 78 | 107.6 Ų | 107.6 | 47% | 0.473 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.9 | -38.1 | 175.4 | 170.8 | 0 | 0 | 0 | 0 | 111.9 | V738 I739 D740 R746 | V738-V742 VanDerWaalsContact O-CG2 3.26Å; V738-V742 WeakPolarHBondContact O-CG2 3.1Å; V738-V742 PolarHBondContact O-N 3.46Å; I739-V742 PolarHBondContact O-N 3.31Å; D740-V742 PolarHBondContact O-N 3.05Å; V742-R746 WeakPolarHBondContact O-CB 3.44Å; V742-R746 PolarHBondContact O-N 3.24Å |
| 743 | M | 64.5 | Low | 60.6 | Low | 104 Ų | 104 | 112.5 Ų | 112.5 | 51% | 0.512 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64.9 | -41.9 | 172.5 | -68.1 | -149.5 | -169.4 | 0 | 0 | 111.6 | I739 D740 R746 I747 | I739-M743 HydrophobicContact CG2-CE 3.97Å; I739-M743 WeakPolarHBondContact O-CG 3.47Å; I739-M743 PolarHBondContact O-N 3.47Å; D740-M743 PolarHBondContact O-N 2.97Å; M743-R746 PolarHBondContact O-N 3.26Å; M743-I747 WeakPolarHBondContact O-CG1 3.24Å; M743-I747 PolarHBondContact O-N 2.93Å |
| 744 | T | 61.2 | Low | 58.9 | Low | 65 Ų | 65 | 119.9 Ų | 119.9 | 40% | 0.399 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.1 | -43.9 | -179.6 | -62.3 | 0 | 0 | 0 | 0 | 112.2 | D740 Q741 R746 I747 I748 | D740-T744 WeakPolarHBondContact O-CB 3.46Å; D740-T744 PolarHBondContact O-N 3.18Å; D740-T744 PolarHBondContact O-OG1 3.27Å; Q741-T744 PolarHBondContact O-N 3.39Å; T744-R746 VanDerWaalsContact C-N 3.29Å; T744-R746 PolarHBondContact O-N 3.07Å; T744-I747 PolarHBondContact O-N 2.93Å; T744-I747 VanDerWaalsContact O-N 3.15Å; T744-I748 HydrophobicContact CG2-CD1 4.29Å; T744-I748 PolarHBondContact O-N 2.81Å |
| 745 | Q | 57.9 | Low | 56.9 | Low | 136 Ų | 136 | 119.6 Ų | 119.6 | 64% | 0.636 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -60.3 | -38.9 | 173.7 | -74.4 | -169.2 | 7.7 | 0 | 0 | 112.3 | Q741 I747 I748 G749 | Q741-Q745 PolarHBondContact O-N 3.09Å; Q745-I747 PolarHBondContact O-N 2.91Å; Q745-I748 PolarHBondContact O-N 2.89Å; Q745-G749 PolarHBondContact O-N 2.72Å |
| 746 | R | 54.9 | Low | 55.4 | Low | 209 Ų | 209 | 125.4 Ų | 125.4 | 79% | 0.789 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -64.4 | -23.9 | 177.9 | -173.2 | 176.1 | -72.5 | -179.4 | -2.4 | 113.3 | V742 M743 T744 | V742-R746 WeakPolarHBondContact O-CB 3.44Å; V742-R746 PolarHBondContact O-N 3.24Å; M743-R746 PolarHBondContact O-N 3.26Å; T744-R746 VanDerWaalsContact C-N 3.29Å; T744-R746 PolarHBondContact O-N 3.07Å |
| 747 | I | 54.1 | Low | 53.6 | Low | 139 Ų | 139 | 131.7 Ų | 131.7 | 71% | 0.713 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -81.2 | -31.2 | 177.8 | -68.7 | 165.6 | 0 | 0 | 0 | 112 | M743 T744 Q745 | M743-I747 WeakPolarHBondContact O-CG1 3.24Å; M743-I747 PolarHBondContact O-N 2.93Å; T744-I747 PolarHBondContact O-N 2.93Å; T744-I747 VanDerWaalsContact O-N 3.15Å; Q745-I747 PolarHBondContact O-N 2.91Å |
| 748 | I | 52.9 | Low | 51.7 | Low | 136 Ų | 136 | 133.5 Ų | 133.5 | 70% | 0.697 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -82 | -25.1 | -176.5 | -63.7 | 169.8 | 0 | 0 | 0 | 112.1 | T744 Q745 S750 | T744-I748 HydrophobicContact CG2-CD1 4.29Å; T744-I748 PolarHBondContact O-N 2.81Å; Q745-I748 PolarHBondContact O-N 2.89Å; I748-S750 PolarHBondContact O-N 3.03Å; I748-S750 VanDerWaalsContact O-N 3.1Å |
| 749 | G | 47.5 | Very low | 49.8 | Very low | 67 Ų | 67 | 138.4 Ų | 138.4 | 69% | 0.691 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -78 | 22 | -168.4 | 0 | 0 | 0 | 0 | 0 | 119 | Q745 | Q745-G749 PolarHBondContact O-N 2.72Š|
| 750 | S | 38.5 | Very low | 47.7 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 76% | 0.755 | 70% | 0.704 | S | S | * | * | trans | -142.9 | 101.3 | -176.8 | -170.5 | 0 | 0 | 0 | 0 | 116.1 | I748 | I748-S750 PolarHBondContact O-N 3.03Å; I748-S750 VanDerWaalsContact O-N 3.1Å | ||
| 751 | P | 46 | Very low | 46.5 | Very low | 116 Ų | 116 | 144.8 Ų | 144.8 | 75% | 0.753 | 72% | 0.717 | S | S | * | * | trans | -121.5 | 96.3 | 170 | 36 | -22.1 | 0 | 0 | 0 | 113 | ||||
| 752 | R | 39.8 | Very low | 44.5 | Very low | 244 Ų | 244 | 147.8 Ų | 147.8 | 92% | 0.921 | 73% | 0.731 | S | S | * | * | trans | -161.9 | 109.2 | 146.3 | -113 | 155.2 | -172.2 | 156.3 | 3.5 | 115.9 | ||||
| 753 | K | 36.2 | Very low | 42.7 | Very low | 160 Ų | 160 | 148.8 Ų | 148.8 | 70% | 0.696 | 74% | 0.742 | S | S | * | * | trans | 1.1 | 128 | 141.1 | -164 | 173.8 | -169.2 | -69 | 0 | 116.8 | D755 | K753-D755 IonicContact NZ-OD1 2.69Å; K753-D755 PolarHBondContact NZ-OD1 3.37Å; K753-D755 IonicContact NZ-OD2 2.83Å; K753-D755 PolarHBondContact NZ-OD2 3.24Å | ||
| 754 | R | 39.8 | Very low | 41.2 | Very low | 236 Ų | 236 | 150.1 Ų | 150.1 | 89% | 0.891 | 76% | 0.76 | S | S | * | * | trans | -84.4 | 147.8 | 155.8 | -57.7 | -179.1 | -169.9 | 125.3 | 1.9 | 109.5 | ||||
| 755 | D | 30.8 | Very low | 39.8 | Very low | 133 Ų | 133 | 150.5 Ų | 150.5 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | trans | -127 | 165.6 | 143.7 | -65.1 | -64.3 | 0 | 0 | 0 | 106.9 | K753 | K753-D755 IonicContact NZ-OD1 2.69Å; K753-D755 PolarHBondContact NZ-OD1 3.37Å; K753-D755 IonicContact NZ-OD2 2.83Å; K753-D755 PolarHBondContact NZ-OD2 3.24Å | ||
| 756 | H | 38.2 | Very low | 38.6 | Very low | 180 Ų | 180 | 148.6 Ų | 148.6 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | trans | -143.6 | 130.2 | -160.4 | -175.8 | 70.8 | 0 | 0 | 0 | 110.9 | ||||
| 757 | E | 33.1 | Very low | 37.5 | Very low | 183 Ų | 183 | 146.4 Ų | 146.4 | 86% | 0.855 | 79% | 0.787 | S | S | * | * | trans | -152.5 | 157.9 | 169.6 | -119.3 | 167.9 | 177.2 | 0 | 0 | 110.4 | ||||
| 758 | D | 33.6 | Very low | 36.3 | Very low | 138 Ų | 138 | 144.7 Ų | 144.7 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | -77.8 | 167.2 | -165.5 | -62.7 | -91.6 | 0 | 0 | 0 | 115.1 | ||||
| 759 | I | 34.5 | Very low | 35.1 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | 166.5 | 114.1 | 120.6 | -83.5 | 156.4 | 0 | 0 | 0 | 111.5 | |||||
| 760 | H | 30.1 | Very low | 34.4 | Very low | 180 Ų | 180 | 146 Ų | 146 | 83% | 0.833 | 80% | 0.798 | S | S | * | * | trans | 42.2 | 156.3 | 138.6 | -123.8 | -102.4 | 0 | 0 | 0 | 124.9 | ||||
| 761 | L | 43.9 | Very low | 34.5 | Very low | 149 Ų | 149 | 146.1 Ų | 146.1 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | trans | -81.5 | 133.8 | -177.6 | -69.8 | 152.1 | 0 | 0 | 0 | 114.3 | ||||
| 762 | Q | 29.8 | Very low | 33.7 | Very low | 180 Ų | 180 | 146.2 Ų | 146.2 | 84% | 0.841 | 80% | 0.799 | S | S | * | * | trans | -163.9 | 111.3 | 154.9 | -150 | 88.1 | 4.7 | 0 | 0 | 105.9 | ||||
| 763 | S | 30.2 | Very low | 33.5 | Very low | 99 Ų | 99 | 142.9 Ų | 142.9 | 69% | 0.692 | 80% | 0.797 | S | S | * | * | 63.8 | 130.5 | 71.3 | -155.8 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 764 | C | 32.4 | Very low | 33 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 89% | 0.892 | 81% | 0.807 | S | S | * | * | trans | 64.7 | 159 | -175.7 | -57.8 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 765 | G | 32.8 | Very low | 32.6 | Very low | 72 Ų | 72 | 141.6 Ų | 141.6 | 74% | 0.742 | 81% | 0.807 | S | S | * | * | cis | 146.6 | 130.1 | -9.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 766 | A | 32 | Very low | 32.3 | Very low | 97 Ų | 97 | 140.8 Ų | 140.8 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | trans | 74.2 | 118.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 767 | L | 30.6 | Very low | 32 | Very low | 162 Ų | 162 | 140.6 Ų | 140.6 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | 53.1 | 125.4 | 128.2 | -60.2 | 175.8 | 0 | 0 | 0 | 123.7 | |||||
| 768 | S | 28.7 | Very low | 31.8 | Very low | 104 Ų | 104 | 141.1 Ų | 141.1 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | trans | 90 | 144.3 | 131.9 | -68.4 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 769 | S | 28.4 | Very low | 31.8 | Very low | 115 Ų | 115 | 141.7 Ų | 141.7 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | 69 | 112.9 | 153.7 | 39.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 770 | S | 32.8 | Very low | 32.2 | Very low | 114 Ų | 114 | 139.4 Ų | 139.4 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | trans | -59.3 | 160 | 146.5 | -30.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 771 | P | 41.1 | Very low | 32.3 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | -157.2 | 175.2 | 75 | 42.5 | -23 | 0 | 0 | 0 | 118.5 | |||||
| 772 | S | 28.3 | Very low | 31.7 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 76.1 | 158.6 | 145.8 | 74.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 773 | M | 36 | Very low | 31.8 | Very low | 175 Ų | 175 | 135.9 Ų | 135.9 | 86% | 0.862 | 79% | 0.79 | S | S | * | * | trans | -89.8 | 155.8 | -176.2 | -63.2 | -174.7 | 73.6 | 0 | 0 | 113.1 | ||||
| 774 | C | 26.7 | Very low | 31.8 | Very low | 137 Ų | 137 | 136.5 Ų | 136.5 | 93% | 0.926 | 80% | 0.795 | S | S | * | * | trans | -133.4 | 151.6 | 151.4 | -104.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 775 | R | 29.8 | Very low | 31.7 | Very low | 232 Ų | 232 | 135.7 Ų | 135.7 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | trans | -134.9 | 129.3 | -169.1 | 177.6 | -158.8 | -156.1 | -175.3 | 12 | 108.8 | ||||
| 776 | S | 25.5 | Very low | 31.7 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -150.6 | 157 | 155.4 | -158.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 777 | K | 32.2 | Very low | 31.6 | Very low | 175 Ų | 175 | 138.8 Ų | 138.8 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | trans | -108.6 | 159.7 | 174.1 | -71.1 | 177.6 | 171 | -178.2 | 0 | 108.6 | ||||
| 778 | H | 28.4 | Very low | 31.6 | Very low | 194 Ų | 194 | 137.6 Ų | 137.6 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | trans | -143 | 145.6 | 140.4 | -107.9 | -81.7 | 0 | 0 | 0 | 111.2 | ||||
| 779 | H | 32.9 | Very low | 32.6 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | trans | -164.4 | 148.4 | 179.2 | 171 | 70 | 0 | 0 | 0 | 108.4 | Q781 | H779-Q781 PolarHBondContact NE2-N 2.82Š| ||
| 780 | P | 43.8 | Very low | 33 | Very low | 116 Ų | 116 | 141.6 Ų | 141.6 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | -135.9 | 135.8 | 149.6 | 30.8 | -13.9 | 0 | 0 | 0 | 115.3 | ||||
| 781 | Q | 32.8 | Very low | 32.7 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 66% | 0.659 | 78% | 0.784 | S | S | * | * | trans | -9.9 | 155.2 | 149.7 | -74.1 | -178.7 | 2.8 | 0 | 0 | 119.1 | H779 | H779-Q781 PolarHBondContact NE2-N 2.82Š| ||
| 782 | K | 31.3 | Very low | 32.2 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 73% | 0.73 | 79% | 0.789 | S | S | * | * | cis | -153.6 | 179.5 | 20.6 | -120 | 148.5 | -178.4 | 147.9 | 0 | 108.5 | ||||
| 783 | T | 31.6 | Very low | 33.5 | Very low | 126 Ų | 126 | 139.5 Ų | 139.5 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | cis | -144.7 | -155.8 | 13.4 | -21.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 784 | S | 29 | Very low | 33.2 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | cis | -162 | 175.7 | -3.3 | 29.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 785 | S | 31.7 | Very low | 33.5 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -85 | 170.3 | 174 | 53.9 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 786 | S | 31.2 | Very low | 33.6 | Very low | 103 Ų | 103 | 131.1 Ų | 131.1 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | cis | -146.4 | -178.8 | -1.5 | 52.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 787 | T | 30.2 | Very low | 33.8 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | cis | -166.2 | 163.9 | 37.2 | -34.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 788 | D | 31.8 | Very low | 33.6 | Very low | 137 Ų | 137 | 128.7 Ų | 128.7 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | trans | -123.7 | 165.1 | 178.7 | -149 | -24.4 | 0 | 0 | 0 | 108.9 | Q790 | D788-Q790 PolarHBondContact OD1-N 2.99Š| ||
| 789 | P | 50 | Low | 33.8 | Very low | 115 Ų | 115 | 127 Ų | 127 | 75% | 0.747 | 76% | 0.757 | S | S | * | * | -154.1 | 133.2 | 80.7 | 37.9 | -16.2 | 0 | 0 | 0 | 118.6 | |||||
| 790 | Q | 36.5 | Very low | 33.7 | Very low | 188 Ų | 188 | 127.4 Ų | 127.4 | 88% | 0.879 | 76% | 0.759 | S | S | * | * | 68.5 | 121.2 | 121.6 | -169 | 170.6 | 69 | 0 | 0 | 122.3 | D788 | D788-Q790 PolarHBondContact OD1-N 2.99Š| |||
| 791 | G | 25.8 | Very low | 32.8 | Very low | 69 Ų | 69 | 127.2 Ų | 127.2 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | 179 | 129.9 | 160.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 792 | S | 31 | Very low | 32.8 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | trans | -159.3 | 177.4 | -173.5 | -47.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 793 | P | 54.5 | Low | 32.7 | Very low | 112 Ų | 112 | 129.2 Ų | 129.2 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | cis | -138 | -171.3 | -0.9 | 40.8 | -21.5 | 0 | 0 | 0 | 115.8 | ||||
| 794 | S | 30.1 | Very low | 32.9 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | trans | 65.4 | 153.8 | 152.7 | 54.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 795 | S | 32.5 | Very low | 33.3 | Very low | 106 Ų | 106 | 130.1 Ų | 130.1 | 74% | 0.741 | 76% | 0.756 | S | S | * | * | cis | -169.8 | 165.9 | -25.9 | -165.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 796 | E | 32.3 | Very low | 33.7 | Very low | 149 Ų | 149 | 135.7 Ų | 135.7 | 70% | 0.696 | 78% | 0.776 | S | S | * | * | trans | 71.6 | 136.1 | 156.4 | -61.7 | -135.8 | 72.1 | 0 | 0 | 123.1 | ||||
| 797 | Q | 31.3 | Very low | 33.8 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | trans | 59 | 156.8 | 148.4 | -61.3 | 168.9 | 35.9 | 0 | 0 | 119.2 | ||||
| 798 | G | 27.4 | Very low | 34 | Very low | 67 Ų | 67 | 137.7 Ų | 137.7 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | cis | 174.1 | 166.6 | -7.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 799 | L | 31.7 | Very low | 34.1 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | trans | 46.2 | 111.1 | 153.2 | -67.4 | 164.8 | 0 | 0 | 0 | 122.4 | ||||
| 800 | E | 30.3 | Very low | 33.2 | Very low | 158 Ų | 158 | 139.1 Ų | 139.1 | 74% | 0.738 | 78% | 0.782 | S | S | * | * | 67.8 | 124.5 | 105 | -161.1 | 172.9 | 148.1 | 0 | 0 | 123.9 | |||||
| 801 | C | 26.5 | Very low | 33 | Very low | 112 Ų | 112 | 136 Ų | 136 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | trans | 76.7 | 160.8 | 147.4 | -81 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 802 | R | 32 | Very low | 33.5 | Very low | 212 Ų | 212 | 140.5 Ų | 140.5 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | trans | 69.1 | 157.9 | 179.3 | -75.3 | -177.3 | 165.9 | -147.6 | 4.4 | 116.1 | ||||
| 803 | E | 29.9 | Very low | 33.7 | Very low | 139 Ų | 139 | 142.1 Ų | 142.1 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | cis | -138.7 | 131 | 12 | -149.9 | 138 | -129.4 | 0 | 0 | 108.6 | ||||
| 804 | T | 34.5 | Very low | 32.1 | Very low | 107 Ų | 107 | 144.4 Ų | 144.4 | 66% | 0.656 | 78% | 0.78 | S | S | * | * | 60.3 | 151.1 | 84.7 | -33.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 805 | I | 37.5 | Very low | 32.2 | Very low | 150 Ų | 150 | 147 Ų | 147 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | 82.1 | 127 | 175.1 | -54 | 172.6 | 0 | 0 | 0 | 113.1 | ||||
| 806 | L | 40.7 | Very low | 32.2 | Very low | 233 Ų | 233 | 150.7 Ų | 150.7 | 100% | 1.22 | 78% | 0.783 | S | S | * | * | cis | -135.1 | 0 | 1.6 | -141.6 | 162.4 | 0 | 0 | 0 | 110.2 |
Retrieved 806 of 806 residues in 461.8 ms
(Link to these results)