| 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 | 39.9 | Very low | 46.5 | Very low | 249 Ų | 249 | 132.1 Ų | 132.1 | 100% | 1.227 | 86% | 0.858 | S | S | * | * | 0 | 125.6 | 0 | -73.9 | -161.9 | 168.2 | 0 | 0 | 107.8 | |||||
| 2 | A | 49.9 | Very low | 46.2 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 81% | 0.81 | 85% | 0.851 | S | S | * | * | trans | -76.1 | 144.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 3 | S | 42.5 | Very low | 46.6 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 89% | 0.888 | 85% | 0.847 | S | S | * | * | trans | -159.7 | 100.4 | 153.6 | -75.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 4 | G | 57.1 | Low | 46.5 | Very low | 87 Ų | 87 | 138.7 Ų | 138.7 | 90% | 0.897 | 85% | 0.851 | S | S | * | * | trans | -77.9 | 143.8 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 5 | G | 39.2 | Very low | 46.4 | Very low | 69 Ų | 69 | 136.8 Ų | 136.8 | 71% | 0.711 | 84% | 0.842 | S | S | * | * | trans | -137 | 150.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 6 | P | 52.1 | Low | 47 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 78% | 0.779 | 85% | 0.845 | S | S | * | * | trans | -87.1 | 145.1 | -147.5 | 33 | -33.9 | 0 | 0 | 0 | 114.2 | V8 | P6-V8 PolarHBondContact O-N 2.75Š| ||
| 7 | M | 44.7 | Very low | 47.2 | Very low | 186 Ų | 186 | 133.1 Ų | 133.1 | 92% | 0.916 | 84% | 0.839 | S | S | * | * | trans | -75.6 | 115 | 168.3 | -59.3 | -171.1 | 83.6 | 0 | 0 | 108.9 | ||||
| 8 | V | 46 | Very low | 47.1 | Very low | 133 Ų | 133 | 136.4 Ų | 136.4 | 81% | 0.806 | 84% | 0.842 | S | S | * | * | trans | -89.1 | 113.5 | 170.2 | -175.5 | 0 | 0 | 0 | 0 | 107.3 | P6 G10 | P6-V8 PolarHBondContact O-N 2.75Å; V8-G10 PolarHBondContact O-N 3.42Å | ||
| 9 | N | 51.7 | Low | 47.2 | Very low | 152 Ų | 152 | 138.8 Ų | 138.8 | 81% | 0.813 | 85% | 0.848 | S | S | * | * | trans | -57.7 | 118.8 | 168.3 | -82.3 | -24.5 | 0 | 0 | 0 | 109.5 | ||||
| 10 | G | 39.4 | Very low | 47.5 | Very low | 70 Ų | 70 | 133.4 Ų | 133.4 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | trans | -105.4 | 94.8 | 161 | 0 | 0 | 0 | 0 | 0 | 108.6 | V8 V12 | V8-G10 PolarHBondContact O-N 3.42Å; G10-V12 PolarHBondContact O-N 3.15Å | ||
| 11 | D | 48.7 | Very low | 48.6 | Very low | 162 Ų | 162 | 131 Ų | 131 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | trans | -64.2 | 119.2 | 163.6 | -88.8 | -51 | 0 | 0 | 0 | 108.9 | ||||
| 12 | V | 43.6 | Very low | 50.2 | Low | 129 Ų | 129 | 126 Ų | 126 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | trans | -107.4 | 127.5 | 169 | 178.6 | 0 | 0 | 0 | 0 | 107.7 | G10 R14 | G10-V12 PolarHBondContact O-N 3.15Å; V12-R14 PolarHBondContact O-N 3.35Å | ||
| 13 | P | 50.7 | Low | 51.7 | Low | 123 Ų | 123 | 127.8 Ų | 127.8 | 80% | 0.799 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 129.2 | -175.3 | 29.1 | -32.1 | 0 | 0 | 0 | 111 | ||
| 14 | R | 45.7 | Very low | 53.8 | Low | 237 Ų | 237 | 126.4 Ų | 126.4 | 89% | 0.894 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 132.5 | 179.2 | -164.1 | -177.6 | -156.2 | -179.1 | 6 | 110.7 | V12 | V12-R14 PolarHBondContact O-N 3.35Š|
| 15 | P | 44.1 | Very low | 55.1 | Low | 110 Ų | 110 | 125.4 Ų | 125.4 | 71% | 0.714 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 146.4 | 166 | 30.9 | -29.5 | 0 | 0 | 0 | 110.5 | ||
| 16 | P | 56.1 | Low | 57.4 | Low | 138 Ų | 138 | 125 Ų | 125 | 90% | 0.896 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -87.4 | 119.9 | -176 | 33.2 | -28.9 | 0 | 0 | 0 | 110.1 | ||
| 17 | G | 50.5 | Low | 59.3 | Low | 72 Ų | 72 | 124.6 Ų | 124.6 | 74% | 0.742 | 70% | 0.703 | S | S | * | * | trans | 132.9 | 80.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 18 | Q | 46.6 | Very low | 61.5 | Low | 193 Ų | 193 | 121.8 Ų | 121.8 | 90% | 0.902 | 69% | 0.688 | S | S | * | * | trans | -168.5 | 90 | 140.9 | -110.9 | 167.8 | 11.6 | 0 | 0 | 107.9 | G20 | Q18-G20 PolarHBondContact O-N 3.43Å; Q18-G20 VanDerWaalsContact O-N 3.08Å | ||
| 19 | L | 47.7 | Very low | 63.7 | Low | 182 Ų | 182 | 120.4 Ų | 120.4 | 95% | 0.953 | 67% | 0.674 | S | S | * | * | trans | -71.7 | 87.2 | 154.2 | -88 | 145.7 | 0 | 0 | 0 | 105.7 | ||||
| 20 | G | 54.3 | Low | 65.7 | Low | 30 Ų | 30 | 117.5 Ų | 117.5 | 31% | 0.309 | 66% | 0.659 | S | S | . | * | trans | -56.2 | 140.8 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | Q18 E24 | Q18-G20 PolarHBondContact O-N 3.43Å; Q18-G20 VanDerWaalsContact O-N 3.08Å; G20-E24 WeakPolarHBondContact CA-OE2 3.34Å | ||
| 21 | T | 70.6 | Confident | 68.4 | Low | 84 Ų | 84 | 118.8 Ų | 118.8 | 52% | 0.515 | 65% | 0.648 | S | S | . | * | trans | -57.6 | 149.9 | -179.2 | 54.4 | 0 | 0 | 0 | 0 | 109.5 | E23 E24 T25 | T21-E23 PolarHBondContact O-N 3.48Å; T21-E24 PolarHBondContact N-OE2 3.4Å; T21-E24 PolarHBondContact O-N 3.46Å; T21-E24 WeakPolarHBondContact OG1-CG 3.04Å; T21-T25 PolarHBondContact O-N 2.63Å | ||
| 22 | L | 73.9 | Confident | 70.6 | Confident | 144 Ų | 144 | 116.3 Ų | 116.3 | 75% | 0.754 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -47.8 | -34.5 | 178.9 | -179.4 | 66 | 0 | 0 | 0 | 111.8 | T25 V26 | L22-T25 PolarHBondContact O-N 3.28Å; L22-T25 PolarHBondContact O-OG1 3.34Å; L22-V26 VanDerWaalsContact O-CG2 3.3Å; L22-V26 WeakPolarHBondContact O-CG2 3.34Å; L22-V26 PolarHBondContact O-N 2.99Å; L22-V26 VanDerWaalsContact O-N 3.08Å |
| 23 | E | 81.4 | Confident | 73 | Confident | 135 Ų | 135 | 113.3 Ų | 113.3 | 63% | 0.631 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -63.7 | -43.2 | 177 | -167.4 | 160.3 | -161.5 | 0 | 0 | 113.8 | T21 T25 V26 Q27 | T21-E23 PolarHBondContact O-N 3.48Å; E23-T25 VanDerWaalsContact C-N 3.34Å; E23-T25 PolarHBondContact O-N 3.18Å; E23-V26 PolarHBondContact O-N 3.47Å; E23-Q27 WeakPolarHBondContact O-CG 3Å; E23-Q27 PolarHBondContact O-N 3.34Å |
| 24 | E | 84.7 | Confident | 75.2 | Confident | 98 Ų | 98 | 111.5 Ų | 111.5 | 46% | 0.458 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.7 | -39.1 | 176.6 | -70.4 | 167.5 | 160.8 | 0 | 0 | 111.5 | G20 T21 Q27 Q28 | G20-E24 WeakPolarHBondContact CA-OE2 3.34Å; T21-E24 PolarHBondContact N-OE2 3.4Å; T21-E24 PolarHBondContact O-N 3.46Å; T21-E24 WeakPolarHBondContact OG1-CG 3.04Å; E24-Q27 PolarHBondContact O-N 3.44Å; E24-Q28 WeakPolarHBondContact O-CG 2.88Å; E24-Q28 PolarHBondContact O-N 3.39Å |
| 25 | T | 84.8 | Confident | 77.6 | Confident | 66 Ų | 66 | 104.9 Ų | 104.9 | 41% | 0.405 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -67.2 | -36.4 | 176.4 | 63.8 | 0 | 0 | 0 | 0 | 112.4 | T21 L22 E23 Q28 M29 | T21-T25 PolarHBondContact O-N 2.63Å; L22-T25 PolarHBondContact O-N 3.28Å; L22-T25 PolarHBondContact O-OG1 3.34Å; E23-T25 VanDerWaalsContact C-N 3.34Å; E23-T25 PolarHBondContact O-N 3.18Å; T25-Q28 PolarHBondContact O-N 3.46Å; T25-M29 WeakPolarHBondContact O-CB 3.48Å; T25-M29 PolarHBondContact O-N 3.05Å |
| 26 | V | 88.9 | Confident | 80 | Confident | 62 Ų | 62 | 103.3 Ų | 103.3 | 38% | 0.376 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -68.7 | -39.1 | 175.1 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | L22 E23 M29 N30 | L22-V26 VanDerWaalsContact O-CG2 3.3Å; L22-V26 WeakPolarHBondContact O-CG2 3.34Å; L22-V26 PolarHBondContact O-N 2.99Å; L22-V26 VanDerWaalsContact O-N 3.08Å; E23-V26 PolarHBondContact O-N 3.47Å; V26-M29 PolarHBondContact O-N 2.69Å; V26-N30 PolarHBondContact O-N 3.1Å; V26-N30 PolarHBondContact O-ND2 2.68Å |
| 27 | Q | 90.9 | Very high | 81.9 | Confident | 110 Ų | 110 | 104 Ų | 104 | 51% | 0.514 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.4 | -45.9 | 174.3 | -73 | 176.5 | 10.5 | 0 | 0 | 111.7 | E23 E24 M29 N30 I31 | E23-Q27 WeakPolarHBondContact O-CG 3Å; E23-Q27 PolarHBondContact O-N 3.34Å; E24-Q27 PolarHBondContact O-N 3.44Å; Q27-M29 VanDerWaalsContact C-N 3.33Å; Q27-M29 PolarHBondContact O-N 2.81Å; Q27-N30 PolarHBondContact O-N 3.31Å; Q27-I31 WeakPolarHBondContact O-CG1 3.29Å; Q27-I31 PolarHBondContact O-N 3.06Å |
| 28 | Q | 91.9 | Very high | 84.1 | Confident | 127 Ų | 127 | 104.9 Ų | 104.9 | 59% | 0.593 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.4 | -41.6 | 174.6 | -73.8 | 177.7 | -6.2 | 0 | 0 | 112.1 | E24 T25 N30 I31 L32 | E24-Q28 WeakPolarHBondContact O-CG 2.88Å; E24-Q28 PolarHBondContact O-N 3.39Å; T25-Q28 PolarHBondContact O-N 3.46Å; Q28-N30 VanDerWaalsContact C-N 3.35Å; Q28-N30 PolarHBondContact O-N 3.17Å; Q28-I31 PolarHBondContact O-N 3.43Å; Q28-L32 WeakPolarHBondContact O-CG 2.93Å; Q28-L32 PolarHBondContact O-N 2.71Å |
| 29 | M | 92.2 | Very high | 86.6 | Confident | 105 Ų | 105 | 101.4 Ų | 101.4 | 52% | 0.517 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 175.6 | -172.6 | 177.7 | 69.1 | 0 | 0 | 112.1 | T25 V26 Q27 L32 I33 | T25-M29 WeakPolarHBondContact O-CB 3.48Å; T25-M29 PolarHBondContact O-N 3.05Å; V26-M29 PolarHBondContact O-N 2.69Å; Q27-M29 VanDerWaalsContact C-N 3.33Å; Q27-M29 PolarHBondContact O-N 2.81Å; M29-L32 PolarHBondContact O-N 2.94Å; M29-I33 HydrophobicContact CG-CD1 4.04Å; M29-I33 VanDerWaalsContact O-CG1 3.24Å; M29-I33 WeakPolarHBondContact O-CG1 3.48Å; M29-I33 PolarHBondContact O-N 3.25Å |
| 30 | N | 93.8 | Very high | 88.9 | Confident | 91 Ų | 91 | 99.2 Ų | 99.2 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 176.3 | -77.5 | -31.3 | 0 | 0 | 0 | 112.4 | V26 Q27 Q28 I33 Q34 | V26-N30 PolarHBondContact O-N 3.1Å; V26-N30 PolarHBondContact O-ND2 2.68Å; Q27-N30 PolarHBondContact O-N 3.31Å; Q28-N30 VanDerWaalsContact C-N 3.35Å; Q28-N30 PolarHBondContact O-N 3.17Å; N30-I33 PolarHBondContact O-N 3.48Å; N30-Q34 WeakPolarHBondContact O-CB 3.47Å; N30-Q34 PolarHBondContact O-N 3.43Å |
| 31 | I | 94.4 | Very high | 91 | Very high | 97 Ų | 97 | 102 Ų | 102 | 50% | 0.497 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.4 | -49.5 | 174.1 | -66.9 | 165.7 | 0 | 0 | 0 | 109.9 | Q27 Q28 I33 Q34 E35 | Q27-I31 WeakPolarHBondContact O-CG1 3.29Å; Q27-I31 PolarHBondContact O-N 3.06Å; Q28-I31 PolarHBondContact O-N 3.43Å; I31-I33 VanDerWaalsContact C-N 3.31Å; I31-I33 PolarHBondContact O-N 2.74Å; I31-Q34 WeakPolarHBondContact O-CA 3.5Å; I31-Q34 WeakPolarHBondContact O-CB 3.3Å; I31-Q34 PolarHBondContact O-N 3.45Å; I31-E35 HydrophobicContact CG2-CG 4.3Å; I31-E35 WeakPolarHBondContact CG2-OE1 3.4Å; I31-E35 WeakPolarHBondContact O-CG 3.34Å; I31-E35 PolarHBondContact O-N 2.82Å |
| 32 | L | 95.3 | Very high | 92.2 | Very high | 109 Ų | 109 | 100.5 Ų | 100.5 | 57% | 0.571 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.5 | -37.4 | 178.2 | -71.6 | 173.1 | 0 | 0 | 0 | 112.8 | Q28 M29 Q34 N36 | Q28-L32 WeakPolarHBondContact O-CG 2.93Å; Q28-L32 PolarHBondContact O-N 2.71Å; M29-L32 PolarHBondContact O-N 2.94Å; L32-Q34 VanDerWaalsContact C-N 3.32Å; L32-N36 VanDerWaalsContact O-CB 3.22Å; L32-N36 WeakPolarHBondContact O-CB 3.37Å; L32-N36 PolarHBondContact O-N 3.01Å |
| 33 | I | 95 | Very high | 93.3 | Very high | 66 Ų | 66 | 98.7 Ų | 98.7 | 34% | 0.338 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 174.3 | -72 | 165.2 | 0 | 0 | 0 | 110.5 | M29 N30 I31 N36 R37 | M29-I33 HydrophobicContact CG-CD1 4.04Å; M29-I33 VanDerWaalsContact O-CG1 3.24Å; M29-I33 WeakPolarHBondContact O-CG1 3.48Å; M29-I33 PolarHBondContact O-N 3.25Å; N30-I33 PolarHBondContact O-N 3.48Å; I31-I33 VanDerWaalsContact C-N 3.31Å; I31-I33 PolarHBondContact O-N 2.74Å; I33-N36 PolarHBondContact O-N 3.35Å; I33-R37 WeakPolarHBondContact O-CG 3.05Å; I33-R37 PolarHBondContact O-N 2.85Å |
| 34 | Q | 96.3 | Very high | 94 | Very high | 85 Ų | 85 | 98.4 Ų | 98.4 | 40% | 0.397 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67 | -48.7 | 178.4 | -171.6 | 56.5 | 42.5 | 0 | 0 | 111.2 | N30 I31 L32 N36 R37 D38 | N30-Q34 WeakPolarHBondContact O-CB 3.47Å; N30-Q34 PolarHBondContact O-N 3.43Å; I31-Q34 WeakPolarHBondContact O-CA 3.5Å; I31-Q34 WeakPolarHBondContact O-CB 3.3Å; I31-Q34 PolarHBondContact O-N 3.45Å; L32-Q34 VanDerWaalsContact C-N 3.32Å; Q34-N36 VanDerWaalsContact C-N 3.26Å; Q34-N36 PolarHBondContact O-N 3.27Å; Q34-R37 WeakPolarHBondContact O-CA 3.41Å; Q34-R37 WeakPolarHBondContact O-CB 3.34Å; Q34-R37 PolarHBondContact O-N 3.03Å; Q34-D38 PolarHBondContact NE2-OD1 3.38Å; Q34-D38 VanDerWaalsContact O-CG 3.27Å; Q34-D38 PolarHBondContact O-N 3.46Å |
| 35 | E | 95.5 | Very high | 94.6 | Very high | 99 Ų | 99 | 97.7 Ų | 97.7 | 46% | 0.463 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -57.9 | -39.4 | 174.7 | -70.1 | 175.8 | 175.4 | 0 | 0 | 111.6 | I31 R37 D38 L39 | I31-E35 HydrophobicContact CG2-CG 4.3Å; I31-E35 WeakPolarHBondContact CG2-OE1 3.4Å; I31-E35 WeakPolarHBondContact O-CG 3.34Å; I31-E35 PolarHBondContact O-N 2.82Å; E35-R37 PolarHBondContact O-N 2.97Å; E35-D38 PolarHBondContact O-N 3.33Å; E35-L39 WeakPolarHBondContact O-CB 2.93Å; E35-L39 VanDerWaalsContact O-CG 3.26Å; E35-L39 WeakPolarHBondContact O-CG 3.45Å; E35-L39 PolarHBondContact O-N 3.47Å |
| 36 | N | 95.8 | Very high | 95.1 | Very high | 76 Ų | 76 | 98.2 Ų | 98.2 | 41% | 0.406 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.2 | -36.5 | 176.1 | -164.5 | -93.7 | 0 | 0 | 0 | 112.6 | L32 I33 Q34 K40 | L32-N36 VanDerWaalsContact O-CB 3.22Å; L32-N36 WeakPolarHBondContact O-CB 3.37Å; L32-N36 PolarHBondContact O-N 3.01Å; I33-N36 PolarHBondContact O-N 3.35Å; Q34-N36 VanDerWaalsContact C-N 3.26Å; Q34-N36 PolarHBondContact O-N 3.27Å; N36-K40 WeakPolarHBondContact O-CB 3.06Å; N36-K40 VanDerWaalsContact O-CG 3.31Å; N36-K40 WeakPolarHBondContact O-CG 3.41Å; N36-K40 PolarHBondContact O-N 3.32Å; N36-K40 WeakPolarHBondContact OD1-CE 3.25Å; N36-K40 PolarHBondContact OD1-NZ 3.45Å |
| 37 | R | 96.4 | Very high | 95.5 | Very high | 154 Ų | 154 | 99.7 Ų | 99.7 | 58% | 0.581 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.7 | -44.7 | 173.4 | -74.9 | 174.5 | -175.9 | 165.5 | 1.5 | 111 | I33 Q34 E35 K40 E41 | I33-R37 WeakPolarHBondContact O-CG 3.05Å; I33-R37 PolarHBondContact O-N 2.85Å; Q34-R37 WeakPolarHBondContact O-CA 3.41Å; Q34-R37 WeakPolarHBondContact O-CB 3.34Å; Q34-R37 PolarHBondContact O-N 3.03Å; E35-R37 PolarHBondContact O-N 2.97Å; R37-K40 WeakPolarHBondContact O-CB 3.35Å; R37-K40 PolarHBondContact O-N 3.4Å; R37-E41 PolarHBondContact O-N 2.93Å |
| 38 | D | 96.7 | Very high | 95.8 | Very high | 89 Ų | 89 | 97.6 Ų | 97.6 | 48% | 0.476 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.2 | -41.2 | -179.5 | -63.7 | -18.4 | 0 | 0 | 0 | 110.9 | Q34 E35 K40 E41 A42 | Q34-D38 PolarHBondContact NE2-OD1 3.38Å; Q34-D38 VanDerWaalsContact O-CG 3.27Å; Q34-D38 PolarHBondContact O-N 3.46Å; E35-D38 PolarHBondContact O-N 3.33Å; D38-K40 PolarHBondContact O-N 3.47Å; D38-E41 PolarHBondContact O-N 3.01Å; D38-A42 WeakPolarHBondContact O-CB 3.05Å; D38-A42 PolarHBondContact O-N 2.82Å |
| 39 | L | 97.2 | Very high | 96 | Very high | 121 Ų | 121 | 94.2 Ų | 94.2 | 63% | 0.634 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.9 | -41.4 | 172.8 | -76.1 | 171.2 | 0 | 0 | 0 | 112.5 | E35 A42 L43 | E35-L39 WeakPolarHBondContact O-CB 2.93Å; E35-L39 VanDerWaalsContact O-CG 3.26Å; E35-L39 WeakPolarHBondContact O-CG 3.45Å; E35-L39 PolarHBondContact O-N 3.47Å; L39-A42 PolarHBondContact O-N 3.28Å; L39-L43 WeakPolarHBondContact O-CB 3.42Å; L39-L43 PolarHBondContact O-N 2.68Å |
| 40 | K | 97.7 | Very high | 96.2 | Very high | 136 Ų | 136 | 94.2 Ų | 94.2 | 59% | 0.591 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.6 | -43.3 | 176 | -81.7 | 169.2 | 174.7 | 156.9 | 0 | 111.7 | N36 R37 D38 L43 R44 | N36-K40 WeakPolarHBondContact O-CB 3.06Å; N36-K40 VanDerWaalsContact O-CG 3.31Å; N36-K40 WeakPolarHBondContact O-CG 3.41Å; N36-K40 PolarHBondContact O-N 3.32Å; N36-K40 WeakPolarHBondContact OD1-CE 3.25Å; N36-K40 PolarHBondContact OD1-NZ 3.45Å; R37-K40 WeakPolarHBondContact O-CB 3.35Å; R37-K40 PolarHBondContact O-N 3.4Å; D38-K40 PolarHBondContact O-N 3.47Å; K40-L43 PolarHBondContact O-N 3.04Å; K40-R44 WeakPolarHBondContact O-CB 3.2Å; K40-R44 PolarHBondContact O-N 3.34Å |
| 41 | E | 97.1 | Very high | 96.3 | Very high | 87 Ų | 87 | 95.8 Ų | 95.8 | 41% | 0.407 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.2 | -42.5 | 177.9 | -170 | 56.8 | -147.5 | 0 | 0 | 111 | R37 D38 L43 R44 Q45 | R37-E41 PolarHBondContact O-N 2.93Å; D38-E41 PolarHBondContact O-N 3.01Å; E41-L43 VanDerWaalsContact C-N 3.34Å; E41-L43 PolarHBondContact O-N 2.83Å; E41-R44 WeakPolarHBondContact O-CB 3.42Å; E41-R44 PolarHBondContact O-N 2.78Å; E41-R44 VanDerWaalsContact O-N 3.12Å; E41-R44 IonicContact OE1-CZ 3.93Å; E41-R44 IonicContact OE1-NE 2.94Å; E41-R44 PolarHBondContact OE1-NE 3.4Å; E41-R44 VanDerWaalsContact OE1-NE 3.1Å; E41-R44 IonicContact OE1-NH2 4Å; E41-R44 IonicContact OE2-NE 3Å; E41-R44 PolarHBondContact OE2-NE 2.79Å; E41-Q45 HydrophobicContact CG-CG 4.48Å; E41-Q45 VanDerWaalsContact O-CG 3.3Å; E41-Q45 WeakPolarHBondContact O-CG 3.33Å; E41-Q45 PolarHBondContact O-N 2.98Å; E41-Q45 PolarHBondContact OE1-NE2 3.46Å |
| 42 | A | 96.4 | Very high | 96.4 | Very high | 53 Ų | 53 | 96.3 Ų | 96.3 | 44% | 0.438 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.3 | -46.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D38 L39 R44 Q45 T46 | D38-A42 WeakPolarHBondContact O-CB 3.05Å; D38-A42 PolarHBondContact O-N 2.82Å; L39-A42 PolarHBondContact O-N 3.28Å; A42-R44 VanDerWaalsContact C-N 3.33Å; A42-R44 PolarHBondContact O-N 3.02Å; A42-Q45 PolarHBondContact O-N 2.87Å; A42-T46 WeakPolarHBondContact O-CG2 3.08Å; A42-T46 PolarHBondContact O-N 3.28Å; A42-T46 PolarHBondContact O-OG1 2.73Å |
| 43 | L | 96.1 | Very high | 96.5 | Very high | 106 Ų | 106 | 100 Ų | 100 | 56% | 0.555 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.5 | -40.6 | 175.9 | -172.8 | 65.1 | 0 | 0 | 0 | 111.7 | L39 K40 E41 Q45 T46 N47 | L39-L43 WeakPolarHBondContact O-CB 3.42Å; L39-L43 PolarHBondContact O-N 2.68Å; K40-L43 PolarHBondContact O-N 3.04Å; E41-L43 VanDerWaalsContact C-N 3.34Å; E41-L43 PolarHBondContact O-N 2.83Å; L43-Q45 PolarHBondContact O-N 3.46Å; L43-T46 WeakPolarHBondContact CA-OG1 3.33Å; L43-T46 PolarHBondContact O-N 3.38Å; L43-T46 PolarHBondContact O-OG1 3.35Å; L43-N47 WeakPolarHBondContact O-CB 3.24Å; L43-N47 PolarHBondContact O-N 3.4Å; L43-N47 PolarHBondContact O-ND2 3.33Å; L43-N47 VanDerWaalsContact O-ND2 3.15Å |
| 44 | R | 97.6 | Very high | 96.5 | Very high | 129 Ų | 129 | 102.9 Ų | 102.9 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.8 | -44.2 | 175.7 | -157.7 | -165.6 | 80.5 | 76.4 | 4.7 | 111.7 | K40 E41 A42 N47 L48 | K40-R44 WeakPolarHBondContact O-CB 3.2Å; K40-R44 PolarHBondContact O-N 3.34Å; E41-R44 WeakPolarHBondContact O-CB 3.42Å; E41-R44 PolarHBondContact O-N 2.78Å; E41-R44 VanDerWaalsContact O-N 3.12Å; E41-R44 IonicContact OE1-CZ 3.93Å; E41-R44 IonicContact OE1-NE 2.94Å; E41-R44 PolarHBondContact OE1-NE 3.4Å; E41-R44 VanDerWaalsContact OE1-NE 3.1Å; E41-R44 IonicContact OE1-NH2 4Å; E41-R44 IonicContact OE2-NE 3Å; E41-R44 PolarHBondContact OE2-NE 2.79Å; A42-R44 VanDerWaalsContact C-N 3.33Å; A42-R44 PolarHBondContact O-N 3.02Å; R44-N47 PolarHBondContact O-N 2.78Å; R44-L48 PolarHBondContact O-N 3.11Å |
| 45 | Q | 97.1 | Very high | 96.5 | Very high | 83 Ų | 83 | 103.6 Ų | 103.6 | 39% | 0.388 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.9 | -45.9 | 177.4 | -66.2 | -63.6 | -22.7 | 0 | 0 | 111.4 | E41 A42 L43 N47 L48 T49 | E41-Q45 HydrophobicContact CG-CG 4.48Å; E41-Q45 VanDerWaalsContact O-CG 3.3Å; E41-Q45 WeakPolarHBondContact O-CG 3.33Å; E41-Q45 PolarHBondContact O-N 2.98Å; E41-Q45 PolarHBondContact OE1-NE2 3.46Å; A42-Q45 PolarHBondContact O-N 2.87Å; L43-Q45 PolarHBondContact O-N 3.46Å; Q45-N47 VanDerWaalsContact C-N 3.32Å; Q45-N47 PolarHBondContact O-N 3.05Å; Q45-L48 PolarHBondContact O-N 2.71Å; Q45-L48 VanDerWaalsContact O-N 3.15Å; Q45-T49 PolarHBondContact O-N 2.91Å; Q45-T49 PolarHBondContact O-OG1 3.42Å |
| 46 | T | 95.6 | Very high | 96.6 | Very high | 78 Ų | 78 | 100.9 Ų | 100.9 | 48% | 0.479 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61 | -40.2 | 177 | 59.9 | 0 | 0 | 0 | 0 | 112.5 | A42 L43 T49 M50 | A42-T46 WeakPolarHBondContact O-CG2 3.08Å; A42-T46 PolarHBondContact O-N 3.28Å; A42-T46 PolarHBondContact O-OG1 2.73Å; L43-T46 WeakPolarHBondContact CA-OG1 3.33Å; L43-T46 PolarHBondContact O-N 3.38Å; L43-T46 PolarHBondContact O-OG1 3.35Å; T46-T49 PolarHBondContact O-N 3.28Å; T46-M50 VanDerWaalsContact O-CB 3.3Å; T46-M50 WeakPolarHBondContact O-CB 3.31Å; T46-M50 PolarHBondContact O-N 2.68Å |
| 47 | N | 97.1 | Very high | 96.6 | Very high | 92 Ų | 92 | 102 Ų | 102 | 49% | 0.492 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | 175 | -79.8 | -41.1 | 0 | 0 | 0 | 112.3 | L43 R44 Q45 M50 K51 | L43-N47 WeakPolarHBondContact O-CB 3.24Å; L43-N47 PolarHBondContact O-N 3.4Å; L43-N47 PolarHBondContact O-ND2 3.33Å; L43-N47 VanDerWaalsContact O-ND2 3.15Å; R44-N47 PolarHBondContact O-N 2.78Å; Q45-N47 VanDerWaalsContact C-N 3.32Å; Q45-N47 PolarHBondContact O-N 3.05Å; N47-M50 PolarHBondContact O-N 2.93Å; N47-K51 WeakPolarHBondContact O-CB 3.25Å; N47-K51 PolarHBondContact O-N 3.12Å |
| 48 | L | 97.3 | Very high | 96.5 | Very high | 66 Ų | 66 | 98.9 Ų | 98.9 | 35% | 0.346 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -49.7 | 176 | -175.9 | 64.2 | 0 | 0 | 0 | 110.9 | R44 Q45 M50 K51 E52 | R44-L48 PolarHBondContact O-N 3.11Å; Q45-L48 PolarHBondContact O-N 2.71Å; Q45-L48 VanDerWaalsContact O-N 3.15Å; L48-M50 VanDerWaalsContact C-N 3.28Å; L48-M50 PolarHBondContact O-N 3.4Å; L48-K51 WeakPolarHBondContact O-CB 3.29Å; L48-K51 PolarHBondContact O-N 3.32Å; L48-K51 VanDerWaalsContact O-N 3.12Å; L48-E52 WeakPolarHBondContact O-CG 3.31Å; L48-E52 PolarHBondContact O-N 2.73Å |
| 49 | T | 96 | Very high | 96.5 | Very high | 57 Ų | 57 | 99.5 Ų | 99.5 | 35% | 0.35 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.8 | -39.4 | 176.5 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | Q45 T46 E52 R53 | Q45-T49 PolarHBondContact O-N 2.91Å; Q45-T49 PolarHBondContact O-OG1 3.42Å; T46-T49 PolarHBondContact O-N 3.28Å; T49-E52 PolarHBondContact O-N 3.09Å; T49-R53 VanDerWaalsContact O-CG 3.3Å; T49-R53 WeakPolarHBondContact O-CG 3.38Å; T49-R53 PolarHBondContact O-N 3.48Å |
| 50 | M | 95.3 | Very high | 96.5 | Very high | 104 Ų | 104 | 100.9 Ų | 100.9 | 51% | 0.512 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 177 | -171.6 | 177.6 | -68.7 | 0 | 0 | 111.1 | T46 N47 L48 R53 F54 | T46-M50 VanDerWaalsContact O-CB 3.3Å; T46-M50 WeakPolarHBondContact O-CB 3.31Å; T46-M50 PolarHBondContact O-N 2.68Å; N47-M50 PolarHBondContact O-N 2.93Å; L48-M50 VanDerWaalsContact C-N 3.28Å; L48-M50 PolarHBondContact O-N 3.4Å; M50-R53 PolarHBondContact O-N 2.91Å; M50-F54 HydrophobicContact CG-CD2 3.75Å; M50-F54 HydrophobicContact CG-CE2 3.43Å; M50-F54 VanDerWaalsContact CG-CE2 3.43Å; M50-F54 HydrophobicContact CG-CZ 4.48Å; M50-F54 WeakPolarHBondContact O-CD2 3.35Å; M50-F54 PolarHBondContact O-N 2.85Å; M50-F54 HydrophobicContact SD-CE2 3.84Å |
| 51 | K | 97.3 | Very high | 96.5 | Very high | 125 Ų | 125 | 101.6 Ų | 101.6 | 54% | 0.543 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 175.4 | -170.8 | -178 | 178.4 | -167.2 | 0 | 111.8 | N47 L48 R53 F54 E55 | N47-K51 WeakPolarHBondContact O-CB 3.25Å; N47-K51 PolarHBondContact O-N 3.12Å; L48-K51 WeakPolarHBondContact O-CB 3.29Å; L48-K51 PolarHBondContact O-N 3.32Å; L48-K51 VanDerWaalsContact O-N 3.12Å; K51-R53 VanDerWaalsContact C-N 3.3Å; K51-R53 PolarHBondContact O-N 2.8Å; K51-F54 PolarHBondContact O-N 2.96Å; K51-F54 VanDerWaalsContact O-N 3.16Å; K51-E55 WeakPolarHBondContact CE-OE1 3.49Å; K51-E55 IonicContact NZ-OE1 3.5Å; K51-E55 WeakPolarHBondContact O-CG 3.17Å; K51-E55 PolarHBondContact O-N 3.38Å |
| 52 | E | 96.6 | Very high | 96.4 | Very high | 108 Ų | 108 | 100.5 Ų | 100.5 | 51% | 0.505 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.6 | -40.7 | 176 | -70.9 | 171.5 | 168.9 | 0 | 0 | 111.8 | L48 T49 E55 G56 | L48-E52 WeakPolarHBondContact O-CG 3.31Å; L48-E52 PolarHBondContact O-N 2.73Å; T49-E52 PolarHBondContact O-N 3.09Å; E52-E55 PolarHBondContact O-N 2.98Å; E52-G56 PolarHBondContact O-N 3.38Å |
| 53 | R | 95.5 | Very high | 96.4 | Very high | 186 Ų | 186 | 103.6 Ų | 103.6 | 70% | 0.702 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.8 | -41.5 | 175 | -73.8 | 177.7 | -177.9 | -169.6 | 1.9 | 112.3 | T49 M50 K51 G56 L57 | T49-R53 VanDerWaalsContact O-CG 3.3Å; T49-R53 WeakPolarHBondContact O-CG 3.38Å; T49-R53 PolarHBondContact O-N 3.48Å; M50-R53 PolarHBondContact O-N 2.91Å; K51-R53 VanDerWaalsContact C-N 3.3Å; K51-R53 PolarHBondContact O-N 2.8Å; R53-G56 PolarHBondContact O-N 2.79Å; R53-L57 WeakPolarHBondContact O-CB 3.48Å; R53-L57 PolarHBondContact O-N 2.99Å |
| 54 | F | 96.1 | Very high | 96.4 | Very high | 127 Ų | 127 | 102.2 Ų | 102.2 | 56% | 0.557 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.7 | -42.6 | 175.8 | -81.6 | -61.1 | 0 | 0 | 0 | 111.8 | M50 K51 L57 T58 | M50-F54 HydrophobicContact CG-CD2 3.75Å; M50-F54 HydrophobicContact CG-CE2 3.43Å; M50-F54 VanDerWaalsContact CG-CE2 3.43Å; M50-F54 HydrophobicContact CG-CZ 4.48Å; M50-F54 WeakPolarHBondContact O-CD2 3.35Å; M50-F54 PolarHBondContact O-N 2.85Å; M50-F54 HydrophobicContact SD-CE2 3.84Å; K51-F54 PolarHBondContact O-N 2.96Å; K51-F54 VanDerWaalsContact O-N 3.16Å; F54-L57 PolarHBondContact O-N 3.45Å; F54-T58 WeakPolarHBondContact O-CG2 3.29Å; F54-T58 PolarHBondContact O-N 3.49Å; F54-T58 PolarHBondContact O-OG1 3.42Å |
| 55 | E | 97 | Very high | 96.4 | Very high | 99 Ų | 99 | 102.9 Ų | 102.9 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 174.5 | -71.7 | 173.9 | -175.9 | 0 | 0 | 111.6 | K51 E52 L57 T58 V59 | K51-E55 WeakPolarHBondContact CE-OE1 3.49Å; K51-E55 IonicContact NZ-OE1 3.5Å; K51-E55 WeakPolarHBondContact O-CG 3.17Å; K51-E55 PolarHBondContact O-N 3.38Å; E52-E55 PolarHBondContact O-N 2.98Å; E55-L57 VanDerWaalsContact C-N 3.34Å; E55-L57 PolarHBondContact O-N 2.8Å; E55-T58 WeakPolarHBondContact CA-OG1 3.31Å; E55-T58 PolarHBondContact O-N 2.97Å; E55-T58 PolarHBondContact O-OG1 3.36Å; E55-V59 WeakPolarHBondContact O-CG2 3.43Å; E55-V59 PolarHBondContact O-N 3.44Å |
| 56 | G | 96.7 | Very high | 96.5 | Very high | 43 Ų | 43 | 104.1 Ų | 104.1 | 44% | 0.443 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E52 R53 W60 | E52-G56 PolarHBondContact O-N 3.38Å; R53-G56 PolarHBondContact O-N 2.79Å; G56-W60 WeakPolarHBondContact O-CB 3.45Å; G56-W60 PolarHBondContact O-N 2.84Å |
| 57 | L | 95.8 | Very high | 96.5 | Very high | 100 Ų | 100 | 104.4 Ų | 104.4 | 52% | 0.524 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.3 | -38.2 | 179 | -172.9 | 65.2 | 0 | 0 | 0 | 112.3 | R53 F54 E55 W60 K61 | R53-L57 WeakPolarHBondContact O-CB 3.48Å; R53-L57 PolarHBondContact O-N 2.99Å; F54-L57 PolarHBondContact O-N 3.45Å; E55-L57 VanDerWaalsContact C-N 3.34Å; E55-L57 PolarHBondContact O-N 2.8Å; L57-W60 HydrophobicContact CD1-CE3 4.27Å; L57-W60 PolarHBondContact O-N 2.9Å; L57-K61 VanDerWaalsContact O-CB 3.29Å; L57-K61 WeakPolarHBondContact O-CB 3.33Å; L57-K61 PolarHBondContact O-N 3.42Å |
| 58 | T | 94.8 | Very high | 96.4 | Very high | 87 Ų | 87 | 106.6 Ų | 106.6 | 53% | 0.534 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.3 | -42.7 | 176.9 | 53.5 | 0 | 0 | 0 | 0 | 111.4 | F54 E55 K61 E62 | F54-T58 WeakPolarHBondContact O-CG2 3.29Å; F54-T58 PolarHBondContact O-N 3.49Å; F54-T58 PolarHBondContact O-OG1 3.42Å; E55-T58 WeakPolarHBondContact CA-OG1 3.31Å; E55-T58 PolarHBondContact O-N 2.97Å; E55-T58 PolarHBondContact O-OG1 3.36Å; T58-K61 PolarHBondContact O-N 3.35Å; T58-E62 WeakPolarHBondContact O-CB 3.27Å; T58-E62 PolarHBondContact O-N 3.36Å |
| 59 | V | 97.1 | Very high | 96.4 | Very high | 102 Ų | 102 | 106.7 Ų | 106.7 | 62% | 0.618 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.5 | -43.4 | 173.8 | 172.6 | 0 | 0 | 0 | 0 | 111.2 | E55 E62 K63 | E55-V59 WeakPolarHBondContact O-CG2 3.43Å; E55-V59 PolarHBondContact O-N 3.44Å; V59-E62 WeakPolarHBondContact O-CB 3.22Å; V59-E62 PolarHBondContact O-N 2.96Å; V59-K63 PolarHBondContact O-N 3.35Å |
| 60 | W | 97.1 | Very high | 96.5 | Very high | 151 Ų | 151 | 109.8 Ų | 109.8 | 57% | 0.572 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.7 | -45.3 | 177.1 | -179.5 | 84.5 | 0 | 0 | 0 | 111.9 | G56 L57 E62 K63 Q64 | G56-W60 WeakPolarHBondContact O-CB 3.45Å; G56-W60 PolarHBondContact O-N 2.84Å; L57-W60 HydrophobicContact CD1-CE3 4.27Å; L57-W60 PolarHBondContact O-N 2.9Å; W60-E62 VanDerWaalsContact C-N 3.28Å; W60-E62 PolarHBondContact O-N 3.49Å; W60-K63 PolarHBondContact O-N 2.93Å; W60-Q64 HydrophobicContact CD2-CG 3.97Å; W60-Q64 HydrophobicContact CE3-CG 4.16Å; W60-Q64 HydrophobicContact CH2-CG 3.84Å; W60-Q64 HydrophobicContact CZ2-CG 3.61Å; W60-Q64 HydrophobicContact CZ3-CG 4.11Å; W60-Q64 WeakPolarHBondContact O-CG 3.49Å; W60-Q64 PolarHBondContact O-N 2.84Å |
| 61 | K | 95.9 | Very high | 96.5 | Very high | 151 Ų | 151 | 110 Ų | 110 | 66% | 0.657 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.3 | -39.9 | 176.2 | -174.4 | 178.6 | -179.3 | 179.7 | 0 | 111.6 | L57 T58 Q64 R65 | L57-K61 VanDerWaalsContact O-CB 3.29Å; L57-K61 WeakPolarHBondContact O-CB 3.33Å; L57-K61 PolarHBondContact O-N 3.42Å; T58-K61 PolarHBondContact O-N 3.35Å; K61-Q64 PolarHBondContact O-N 3.29Å; K61-R65 PolarHBondContact O-N 3.31Å |
| 62 | E | 96.2 | Very high | 96.5 | Very high | 63 Ų | 63 | 109 Ų | 109 | 29% | 0.294 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 175.6 | 179 | 53.8 | -153.1 | 0 | 0 | 111.9 | T58 V59 W60 Q64 R65 Q66 | T58-E62 WeakPolarHBondContact O-CB 3.27Å; T58-E62 PolarHBondContact O-N 3.36Å; V59-E62 WeakPolarHBondContact O-CB 3.22Å; V59-E62 PolarHBondContact O-N 2.96Å; W60-E62 VanDerWaalsContact C-N 3.28Å; W60-E62 PolarHBondContact O-N 3.49Å; E62-Q64 PolarHBondContact O-N 2.83Å; E62-R65 WeakPolarHBondContact O-CB 3.26Å; E62-R65 PolarHBondContact O-N 3.31Å; E62-R65 IonicContact OE1-CZ 2.8Å; E62-R65 IonicContact OE1-NE 3.99Å; E62-R65 IonicContact OE1-NH2 2.96Å; E62-R65 PolarHBondContact OE1-NH2 3.43Å; E62-R65 IonicContact OE2-CZ 3.78Å; E62-R65 IonicContact OE2-NE 3.1Å; E62-R65 PolarHBondContact OE2-NE 3.36Å; E62-R65 IonicContact OE2-NH2 3.32Å; E62-R65 PolarHBondContact OE2-NH2 2.94Å; E62-Q66 WeakPolarHBondContact O-CG 3.41Å; E62-Q66 PolarHBondContact O-N 3.4Å; E62-Q66 PolarHBondContact OE1-NE2 3.42Å |
| 63 | K | 96.6 | Very high | 96.5 | Very high | 119 Ų | 119 | 110.4 Ų | 110.4 | 52% | 0.517 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.6 | -43.1 | 175.8 | -172.8 | 176.9 | 178.4 | -177.3 | 0 | 111.9 | V59 W60 R65 Q66 E67 | V59-K63 PolarHBondContact O-N 3.35Å; W60-K63 PolarHBondContact O-N 2.93Å; K63-R65 VanDerWaalsContact C-N 3.3Å; K63-R65 PolarHBondContact O-N 2.87Å; K63-Q66 PolarHBondContact O-N 3.25Å; K63-E67 VanDerWaalsContact CE-OE1 3.23Å; K63-E67 WeakPolarHBondContact CE-OE1 3.32Å; K63-E67 WeakPolarHBondContact O-CG 3.29Å; K63-E67 PolarHBondContact O-N 2.92Å |
| 64 | Q | 96.6 | Very high | 96.6 | Very high | 77 Ų | 77 | 108.8 Ų | 108.8 | 36% | 0.36 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 175.7 | -73.4 | -57.3 | -66.1 | 0 | 0 | 112.4 | W60 K61 E62 E67 K68 | W60-Q64 HydrophobicContact CD2-CG 3.97Å; W60-Q64 HydrophobicContact CE3-CG 4.16Å; W60-Q64 HydrophobicContact CH2-CG 3.84Å; W60-Q64 HydrophobicContact CZ2-CG 3.61Å; W60-Q64 HydrophobicContact CZ3-CG 4.11Å; W60-Q64 WeakPolarHBondContact O-CG 3.49Å; W60-Q64 PolarHBondContact O-N 2.84Å; K61-Q64 PolarHBondContact O-N 3.29Å; E62-Q64 PolarHBondContact O-N 2.83Å; Q64-E67 PolarHBondContact NE2-OE2 2.96Å; Q64-K68 WeakPolarHBondContact O-CB 3.17Å; Q64-K68 PolarHBondContact O-N 3.36Å |
| 65 | R | 97.7 | Very high | 96.5 | Very high | 143 Ų | 143 | 107.4 Ų | 107.4 | 54% | 0.54 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.1 | -47.9 | 173.1 | -178.8 | 177.3 | 69.3 | 140.5 | 4.7 | 111.5 | K61 E62 K63 E67 K68 D69 | K61-R65 PolarHBondContact O-N 3.31Å; E62-R65 WeakPolarHBondContact O-CB 3.26Å; E62-R65 PolarHBondContact O-N 3.31Å; E62-R65 IonicContact OE1-CZ 2.8Å; E62-R65 IonicContact OE1-NE 3.99Å; E62-R65 IonicContact OE1-NH2 2.96Å; E62-R65 PolarHBondContact OE1-NH2 3.43Å; E62-R65 IonicContact OE2-CZ 3.78Å; E62-R65 IonicContact OE2-NE 3.1Å; E62-R65 PolarHBondContact OE2-NE 3.36Å; E62-R65 IonicContact OE2-NH2 3.32Å; E62-R65 PolarHBondContact OE2-NH2 2.94Å; K63-R65 VanDerWaalsContact C-N 3.3Å; K63-R65 PolarHBondContact O-N 2.87Å; R65-E67 PolarHBondContact O-N 3.36Å; R65-K68 WeakPolarHBondContact O-CB 3.5Å; R65-K68 PolarHBondContact O-N 3.37Å; R65-D69 VanDerWaalsContact O-CG 3.29Å; R65-D69 PolarHBondContact O-N 3.38Å |
| 66 | Q | 97.3 | Very high | 96.5 | Very high | 109 Ų | 109 | 106 Ų | 106 | 51% | 0.509 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 179.3 | -68.7 | 173 | 9.2 | 0 | 0 | 112.6 | E62 K63 D69 F70 | E62-Q66 WeakPolarHBondContact O-CG 3.41Å; E62-Q66 PolarHBondContact O-N 3.4Å; E62-Q66 PolarHBondContact OE1-NE2 3.42Å; K63-Q66 PolarHBondContact O-N 3.25Å; Q66-D69 PolarHBondContact O-N 3.48Å; Q66-F70 WeakPolarHBondContact O-CB 3.32Å; Q66-F70 PolarHBondContact O-N 2.97Å |
| 67 | E | 96.1 | Very high | 96.5 | Very high | 83 Ų | 83 | 109.3 Ų | 109.3 | 39% | 0.388 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -43.1 | 175.5 | -75.2 | 173.4 | -175.6 | 0 | 0 | 111.6 | K63 Q64 R65 F70 L71 | K63-E67 VanDerWaalsContact CE-OE1 3.23Å; K63-E67 WeakPolarHBondContact CE-OE1 3.32Å; K63-E67 WeakPolarHBondContact O-CG 3.29Å; K63-E67 PolarHBondContact O-N 2.92Å; Q64-E67 PolarHBondContact NE2-OE2 2.96Å; R65-E67 PolarHBondContact O-N 3.36Å; E67-F70 PolarHBondContact O-N 2.97Å; E67-L71 WeakPolarHBondContact O-CG 3.48Å; E67-L71 PolarHBondContact O-N 3.38Å |
| 68 | K | 96.2 | Very high | 96.4 | Very high | 139 Ų | 139 | 106.7 Ų | 106.7 | 60% | 0.604 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60 | -49.4 | 174.5 | -176.3 | -171.1 | 171.1 | -170.6 | 0 | 111.4 | Q64 R65 F70 L71 E72 | Q64-K68 WeakPolarHBondContact O-CB 3.17Å; Q64-K68 PolarHBondContact O-N 3.36Å; R65-K68 WeakPolarHBondContact O-CB 3.5Å; R65-K68 PolarHBondContact O-N 3.37Å; K68-F70 VanDerWaalsContact C-N 3.25Å; K68-F70 PolarHBondContact O-N 3.28Å; K68-L71 PolarHBondContact O-N 2.7Å; K68-E72 WeakPolarHBondContact O-CB 3.42Å; K68-E72 PolarHBondContact O-N 3.38Å |
| 69 | D | 96.4 | Very high | 96.5 | Very high | 67 Ų | 67 | 107.7 Ų | 107.7 | 36% | 0.358 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.9 | -35.5 | -179.5 | -68.5 | -8.5 | 0 | 0 | 0 | 111.6 | R65 Q66 K73 | R65-D69 VanDerWaalsContact O-CG 3.29Å; R65-D69 PolarHBondContact O-N 3.38Å; Q66-D69 PolarHBondContact O-N 3.48Å; D69-K73 VanDerWaalsContact O-CG 3.3Å; D69-K73 WeakPolarHBondContact O-CG 3.36Å; D69-K73 PolarHBondContact O-N 3.1Å |
| 70 | F | 97.6 | Very high | 96.5 | Very high | 123 Ų | 123 | 109.7 Ų | 109.7 | 54% | 0.539 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.1 | -48.3 | 174.4 | 173.7 | -98.5 | 0 | 0 | 0 | 112.1 | Q66 E67 K68 E72 K73 R74 | Q66-F70 WeakPolarHBondContact O-CB 3.32Å; Q66-F70 PolarHBondContact O-N 2.97Å; E67-F70 PolarHBondContact O-N 2.97Å; K68-F70 VanDerWaalsContact C-N 3.25Å; K68-F70 PolarHBondContact O-N 3.28Å; F70-E72 VanDerWaalsContact C-N 3.31Å; F70-E72 PolarHBondContact O-N 2.86Å; F70-K73 PolarHBondContact O-N 3.41Å; F70-R74 HydrophobicContact CE1-CG 4.17Å; F70-R74 HydrophobicContact CE2-CG 4.33Å; F70-R74 HydrophobicContact CZ-CG 4.04Å; F70-R74 PolarHBondContact O-N 2.94Å |
| 71 | L | 96.9 | Very high | 96.4 | Very high | 107 Ų | 107 | 106 Ų | 106 | 56% | 0.56 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -62.3 | -41 | 177.6 | -69.7 | 175.1 | 0 | 0 | 0 | 111.4 | E67 K68 R74 L75 | E67-L71 WeakPolarHBondContact O-CG 3.48Å; E67-L71 PolarHBondContact O-N 3.38Å; K68-L71 PolarHBondContact O-N 2.7Å; L71-R74 PolarHBondContact O-N 2.78Å; L71-L75 WeakPolarHBondContact O-CB 3.47Å; L71-L75 WeakPolarHBondContact O-CG 3.37Å; L71-L75 PolarHBondContact O-N 3.1Å |
| 72 | E | 96.4 | Very high | 96.3 | Very high | 105 Ų | 105 | 103.7 Ų | 103.7 | 49% | 0.491 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 177.2 | -172.3 | 164 | -162.5 | 0 | 0 | 111.8 | K68 F70 R74 L75 E76 | K68-E72 WeakPolarHBondContact O-CB 3.42Å; K68-E72 PolarHBondContact O-N 3.38Å; F70-E72 VanDerWaalsContact C-N 3.31Å; F70-E72 PolarHBondContact O-N 2.86Å; E72-R74 PolarHBondContact O-N 2.85Å; E72-L75 PolarHBondContact O-N 2.96Å; E72-E76 WeakPolarHBondContact O-CB 3.39Å; E72-E76 PolarHBondContact O-N 2.97Å |
| 73 | K | 96.9 | Very high | 96.2 | Very high | 138 Ų | 138 | 106.2 Ų | 106.2 | 60% | 0.6 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.9 | -45.3 | 173.4 | -75 | 171.4 | -175.7 | 174.5 | 0 | 112.4 | D69 F70 L75 E76 E77 | D69-K73 VanDerWaalsContact O-CG 3.3Å; D69-K73 WeakPolarHBondContact O-CG 3.36Å; D69-K73 PolarHBondContact O-N 3.1Å; F70-K73 PolarHBondContact O-N 3.41Å; K73-L75 VanDerWaalsContact C-N 3.35Å; K73-L75 PolarHBondContact O-N 2.97Å; K73-E76 WeakPolarHBondContact O-CB 3.43Å; K73-E76 PolarHBondContact O-N 3.27Å; K73-E77 WeakPolarHBondContact O-CG 3.44Å; K73-E77 PolarHBondContact O-N 2.96Å |
| 74 | R | 96.4 | Very high | 96.2 | Very high | 151 Ų | 151 | 104.2 Ų | 104.2 | 57% | 0.57 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.7 | -38.4 | 177.9 | -70.6 | -148.1 | 75.3 | 179.3 | 3.4 | 112.7 | F70 L71 E72 E76 E77 A78 | F70-R74 HydrophobicContact CE1-CG 4.17Å; F70-R74 HydrophobicContact CE2-CG 4.33Å; F70-R74 HydrophobicContact CZ-CG 4.04Å; F70-R74 PolarHBondContact O-N 2.94Å; L71-R74 PolarHBondContact O-N 2.78Å; E72-R74 PolarHBondContact O-N 2.85Å; R74-E76 VanDerWaalsContact C-N 3.31Å; R74-E77 PolarHBondContact O-N 3.4Å; R74-A78 WeakPolarHBondContact O-CB 3.44Å; R74-A78 PolarHBondContact O-N 2.86Å |
| 75 | L | 95.5 | Very high | 95.9 | Very high | 98 Ų | 98 | 104.5 Ų | 104.5 | 51% | 0.513 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 174.8 | -74.3 | 173.8 | 0 | 0 | 0 | 111.3 | L71 E72 K73 A78 R79 | L71-L75 WeakPolarHBondContact O-CB 3.47Å; L71-L75 WeakPolarHBondContact O-CG 3.37Å; L71-L75 PolarHBondContact O-N 3.1Å; E72-L75 PolarHBondContact O-N 2.96Å; K73-L75 VanDerWaalsContact C-N 3.35Å; K73-L75 PolarHBondContact O-N 2.97Å; L75-A78 PolarHBondContact O-N 3.46Å; L75-R79 WeakPolarHBondContact O-CB 3.4Å; L75-R79 WeakPolarHBondContact O-CG 3.31Å; L75-R79 PolarHBondContact O-N 2.82Å |
| 76 | E | 96.7 | Very high | 95.6 | Very high | 69 Ų | 69 | 100.5 Ų | 100.5 | 32% | 0.322 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.6 | -41.3 | 176.3 | -164.3 | 58.3 | -153.3 | 0 | 0 | 112.1 | E72 K73 R74 R79 R80 | E72-E76 WeakPolarHBondContact O-CB 3.39Å; E72-E76 PolarHBondContact O-N 2.97Å; K73-E76 WeakPolarHBondContact O-CB 3.43Å; K73-E76 PolarHBondContact O-N 3.27Å; R74-E76 VanDerWaalsContact C-N 3.31Å; E76-R79 PolarHBondContact O-N 3.34Å; E76-R79 IonicContact OE2-CZ 2.88Å; E76-R79 IonicContact OE2-NE 3.16Å; E76-R79 PolarHBondContact OE2-NE 3.49Å; E76-R79 IonicContact OE2-NH2 3.08Å; E76-R79 PolarHBondContact OE2-NH2 3.34Å; E76-R80 WeakPolarHBondContact O-CG 3.27Å; E76-R80 PolarHBondContact O-N 3.48Å |
| 77 | E | 96.3 | Very high | 95.3 | Very high | 113 Ų | 113 | 98.7 Ų | 98.7 | 53% | 0.528 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 172.1 | -71.9 | 168.5 | -175.9 | 0 | 0 | 112.1 | K73 R74 R80 C81 | K73-E77 WeakPolarHBondContact O-CG 3.44Å; K73-E77 PolarHBondContact O-N 2.96Å; R74-E77 PolarHBondContact O-N 3.4Å; E77-R80 PolarHBondContact O-N 2.85Å; E77-C81 WeakPolarHBondContact O-CB 3.4Å; E77-C81 PolarHBondContact O-N 2.88Å |
| 78 | A | 94.7 | Very high | 95.1 | Very high | 46 Ų | 46 | 99.3 Ų | 99.3 | 38% | 0.38 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.8 | -42.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | R74 L75 C81 I82 | R74-A78 WeakPolarHBondContact O-CB 3.44Å; R74-A78 PolarHBondContact O-N 2.86Å; L75-A78 PolarHBondContact O-N 3.46Å; A78-C81 WeakPolarHBondContact O-CB 3.43Å; A78-C81 PolarHBondContact O-N 3.37Å; A78-I82 VanDerWaalsContact O-CG1 3.29Å; A78-I82 WeakPolarHBondContact O-CG1 3.37Å; A78-I82 PolarHBondContact O-N 2.87Å |
| 79 | R | 95.8 | Very high | 94.3 | Very high | 108 Ų | 108 | 97.5 Ų | 97.5 | 41% | 0.408 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.5 | -49.6 | 173.7 | -81.4 | -171.7 | -76.9 | -94.4 | 2.9 | 111.5 | L75 E76 C81 I82 E83 | L75-R79 WeakPolarHBondContact O-CB 3.4Å; L75-R79 WeakPolarHBondContact O-CG 3.31Å; L75-R79 PolarHBondContact O-N 2.82Å; E76-R79 PolarHBondContact O-N 3.34Å; E76-R79 IonicContact OE2-CZ 2.88Å; E76-R79 IonicContact OE2-NE 3.16Å; E76-R79 PolarHBondContact OE2-NE 3.49Å; E76-R79 IonicContact OE2-NH2 3.08Å; E76-R79 PolarHBondContact OE2-NH2 3.34Å; R79-C81 VanDerWaalsContact C-N 3.3Å; R79-C81 PolarHBondContact O-N 2.98Å; R79-I82 PolarHBondContact O-N 3.42Å; R79-E83 WeakPolarHBondContact O-CB 3.38Å; R79-E83 WeakPolarHBondContact O-CG 3.42Å; R79-E83 PolarHBondContact O-N 2.79Å |
| 80 | R | 96.8 | Very high | 93.9 | Very high | 144 Ų | 144 | 98.9 Ų | 98.9 | 54% | 0.543 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.9 | -39 | 176.2 | -71 | 177.2 | -165.4 | 151.9 | 4.6 | 112.8 | E76 E77 E83 T84 | E76-R80 WeakPolarHBondContact O-CG 3.27Å; E76-R80 PolarHBondContact O-N 3.48Å; E77-R80 PolarHBondContact O-N 2.85Å; R80-E83 PolarHBondContact O-N 2.87Å; R80-T84 WeakPolarHBondContact O-CB 3.5Å; R80-T84 PolarHBondContact O-N 2.89Å; R80-T84 PolarHBondContact O-OG1 3.45Å |
| 81 | C | 95 | Very high | 93.3 | Very high | 72 Ų | 72 | 98.8 Ų | 98.8 | 49% | 0.486 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.4 | -45.5 | 175.9 | -175.4 | 0 | 0 | 0 | 0 | 111.3 | E77 A78 R79 T84 L85 | E77-C81 WeakPolarHBondContact O-CB 3.4Å; E77-C81 PolarHBondContact O-N 2.88Å; A78-C81 WeakPolarHBondContact O-CB 3.43Å; A78-C81 PolarHBondContact O-N 3.37Å; R79-C81 VanDerWaalsContact C-N 3.3Å; R79-C81 PolarHBondContact O-N 2.98Å; C81-T84 PolarHBondContact O-N 3.34Å; C81-L85 WeakPolarHBondContact O-CB 3.4Å; C81-L85 WeakPolarHBondContact O-CG 3.33Å; C81-L85 PolarHBondContact O-N 2.86Å |
| 82 | I | 94.3 | Very high | 92.3 | Very high | 104 Ų | 104 | 99.1 Ų | 99.1 | 53% | 0.533 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 176 | -69.5 | 166.5 | 0 | 0 | 0 | 110.8 | A78 R79 T84 L85 T86 | A78-I82 VanDerWaalsContact O-CG1 3.29Å; A78-I82 WeakPolarHBondContact O-CG1 3.37Å; A78-I82 PolarHBondContact O-N 2.87Å; R79-I82 PolarHBondContact O-N 3.42Å; I82-T84 VanDerWaalsContact C-N 3.33Å; I82-T84 PolarHBondContact O-N 2.87Å; I82-L85 PolarHBondContact O-N 3.5Å; I82-T86 VanDerWaalsContact O-CB 3.26Å; I82-T86 WeakPolarHBondContact O-CB 3.48Å; I82-T86 PolarHBondContact O-N 3.06Å; I82-T86 PolarHBondContact O-OG1 3.23Å |
| 83 | E | 94.9 | Very high | 91 | Very high | 116 Ų | 116 | 98.6 Ų | 98.6 | 54% | 0.542 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.3 | -45.5 | 176.1 | -75.6 | 171 | -172.4 | 0 | 0 | 111 | R79 R80 T86 V87 | R79-E83 WeakPolarHBondContact O-CB 3.38Å; R79-E83 WeakPolarHBondContact O-CG 3.42Å; R79-E83 PolarHBondContact O-N 2.79Å; R80-E83 PolarHBondContact O-N 2.87Å; E83-T86 PolarHBondContact O-N 3.49Å; E83-V87 WeakPolarHBondContact O-CG2 3.45Å; E83-V87 PolarHBondContact O-N 3.24Å |
| 84 | T | 95.1 | Very high | 89.9 | Confident | 76 Ų | 76 | 99.6 Ų | 99.6 | 47% | 0.466 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.9 | -47.9 | 176.4 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | R80 C81 I82 T86 V87 Q88 | R80-T84 WeakPolarHBondContact O-CB 3.5Å; R80-T84 PolarHBondContact O-N 2.89Å; R80-T84 PolarHBondContact O-OG1 3.45Å; C81-T84 PolarHBondContact O-N 3.34Å; I82-T84 VanDerWaalsContact C-N 3.33Å; I82-T84 PolarHBondContact O-N 2.87Å; T84-T86 VanDerWaalsContact C-N 3.28Å; T84-T86 PolarHBondContact O-N 2.96Å; T84-V87 PolarHBondContact O-N 3.39Å; T84-Q88 WeakPolarHBondContact O-CB 3.41Å; T84-Q88 WeakPolarHBondContact O-CG 3.42Å; T84-Q88 PolarHBondContact O-N 3.46Å |
| 85 | L | 91.9 | Very high | 87.9 | Confident | 83 Ų | 83 | 101.8 Ų | 101.8 | 44% | 0.435 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -34.5 | 176.6 | -74.5 | 172.2 | 0 | 0 | 0 | 112.1 | C81 I82 Q88 N89 | C81-L85 WeakPolarHBondContact O-CB 3.4Å; C81-L85 WeakPolarHBondContact O-CG 3.33Å; C81-L85 PolarHBondContact O-N 2.86Å; I82-L85 PolarHBondContact O-N 3.5Å; L85-Q88 PolarHBondContact O-N 3.42Å; L85-N89 VanDerWaalsContact O-CB 3.24Å; L85-N89 WeakPolarHBondContact O-CB 3.44Å; L85-N89 VanDerWaalsContact O-CG 3.23Å; L85-N89 PolarHBondContact O-N 3.31Å; L85-N89 PolarHBondContact O-ND2 3.45Å |
| 86 | T | 90.6 | Very high | 85.8 | Confident | 59 Ų | 59 | 101.4 Ų | 101.4 | 36% | 0.362 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.8 | -42.1 | 177.5 | -56.4 | 0 | 0 | 0 | 0 | 110.4 | I82 E83 T84 N89 Q90 | I82-T86 VanDerWaalsContact O-CB 3.26Å; I82-T86 WeakPolarHBondContact O-CB 3.48Å; I82-T86 PolarHBondContact O-N 3.06Å; I82-T86 PolarHBondContact O-OG1 3.23Å; E83-T86 PolarHBondContact O-N 3.49Å; T84-T86 VanDerWaalsContact C-N 3.28Å; T84-T86 PolarHBondContact O-N 2.96Å; T86-N89 PolarHBondContact O-N 2.87Å; T86-Q90 WeakPolarHBondContact O-CB 3.4Å; T86-Q90 WeakPolarHBondContact O-CG 3.44Å; T86-Q90 PolarHBondContact O-N 3.45Å |
| 87 | V | 91.8 | Very high | 83.5 | Confident | 72 Ų | 72 | 105.4 Ų | 105.4 | 44% | 0.436 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.9 | -46.2 | 172.8 | 172.2 | 0 | 0 | 0 | 0 | 110.3 | E83 T84 N89 Q90 E91 | E83-V87 WeakPolarHBondContact O-CG2 3.45Å; E83-V87 PolarHBondContact O-N 3.24Å; T84-V87 PolarHBondContact O-N 3.39Å; V87-N89 PolarHBondContact O-N 3.24Å; V87-Q90 CarbonylContact O-C 3.58Å; V87-Q90 WeakPolarHBondContact O-CB 3.34Å; V87-Q90 PolarHBondContact O-N 3.46Å; V87-E91 HydrophobicContact CG1-CG 4.37Å; V87-E91 WeakPolarHBondContact O-CB 3.44Å; V87-E91 WeakPolarHBondContact O-CG 3.28Å; V87-E91 PolarHBondContact O-N 3.06Å |
| 88 | Q | 90.4 | Very high | 80.9 | Confident | 95 Ų | 95 | 105.3 Ų | 105.3 | 44% | 0.444 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.2 | -42.7 | 175.8 | -73.9 | 177.5 | -11.4 | 0 | 0 | 112.3 | T84 L85 Q90 E91 L92 | T84-Q88 WeakPolarHBondContact O-CB 3.41Å; T84-Q88 WeakPolarHBondContact O-CG 3.42Å; T84-Q88 PolarHBondContact O-N 3.46Å; L85-Q88 PolarHBondContact O-N 3.42Å; Q88-Q90 VanDerWaalsContact C-N 3.34Å; Q88-E91 PolarHBondContact O-N 2.91Å; Q88-L92 WeakPolarHBondContact O-CB 3.44Å; Q88-L92 VanDerWaalsContact O-CG 3.23Å; Q88-L92 WeakPolarHBondContact O-CG 3.28Å; Q88-L92 PolarHBondContact O-N 3.49Å |
| 89 | N | 80.4 | Confident | 78.6 | Confident | 102 Ų | 102 | 105.5 Ų | 105.5 | 55% | 0.545 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -65.1 | -38.6 | 174.8 | -79.7 | -29.1 | 0 | 0 | 0 | 111.7 | L85 T86 V87 S93 | L85-N89 VanDerWaalsContact O-CB 3.24Å; L85-N89 WeakPolarHBondContact O-CB 3.44Å; L85-N89 VanDerWaalsContact O-CG 3.23Å; L85-N89 PolarHBondContact O-N 3.31Å; L85-N89 PolarHBondContact O-ND2 3.45Å; T86-N89 PolarHBondContact O-N 2.87Å; V87-N89 PolarHBondContact O-N 3.24Å; N89-S93 WeakPolarHBondContact O-CB 3.5Å; N89-S93 PolarHBondContact O-N 2.85Å |
| 90 | Q | 87.8 | Confident | 76.3 | Confident | 95 Ų | 95 | 101.9 Ų | 101.9 | 44% | 0.444 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.3 | -37.1 | 173.4 | -75.2 | 177.2 | 17.8 | 0 | 0 | 111.8 | T86 V87 Q88 S93 K94 | T86-Q90 WeakPolarHBondContact O-CB 3.4Å; T86-Q90 WeakPolarHBondContact O-CG 3.44Å; T86-Q90 PolarHBondContact O-N 3.45Å; V87-Q90 CarbonylContact O-C 3.58Å; V87-Q90 WeakPolarHBondContact O-CB 3.34Å; V87-Q90 PolarHBondContact O-N 3.46Å; Q88-Q90 VanDerWaalsContact C-N 3.34Å; Q90-S93 PolarHBondContact O-N 3.29Å; Q90-K94 WeakPolarHBondContact O-CA 3.27Å; Q90-K94 WeakPolarHBondContact O-CB 3.34Å; Q90-K94 WeakPolarHBondContact O-CG 3.41Å; Q90-K94 PolarHBondContact O-N 3.39Å |
| 91 | E | 85.1 | Confident | 73.9 | Confident | 122 Ų | 122 | 97 Ų | 97 | 57% | 0.57 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.4 | -43.3 | 174.6 | -75.7 | 174.7 | 174.3 | 0 | 0 | 111.3 | V87 Q88 S93 K94 R95 | V87-E91 HydrophobicContact CG1-CG 4.37Å; V87-E91 WeakPolarHBondContact O-CB 3.44Å; V87-E91 WeakPolarHBondContact O-CG 3.28Å; V87-E91 PolarHBondContact O-N 3.06Å; Q88-E91 PolarHBondContact O-N 2.91Å; E91-S93 VanDerWaalsContact C-N 3.32Å; E91-S93 PolarHBondContact O-N 2.94Å; E91-K94 CarbonylContact O-C 3.6Å; E91-K94 PolarHBondContact O-N 2.88Å; E91-R95 WeakPolarHBondContact O-CB 3.48Å; E91-R95 PolarHBondContact O-N 3.18Å |
| 92 | L | 74.8 | Confident | 71.9 | Confident | 114 Ų | 114 | 96.9 Ų | 96.9 | 60% | 0.597 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.7 | -37.4 | 173.1 | -70.7 | 170.8 | 0 | 0 | 0 | 111.7 | Q88 R95 | Q88-L92 WeakPolarHBondContact O-CB 3.44Å; Q88-L92 VanDerWaalsContact O-CG 3.23Å; Q88-L92 WeakPolarHBondContact O-CG 3.28Å; Q88-L92 PolarHBondContact O-N 3.49Å; L92-R95 WeakPolarHBondContact O-CB 3.44Å; L92-R95 PolarHBondContact O-N 2.89Å |
| 93 | S | 70.1 | Confident | 69.9 | Low | 93 Ų | 93 | 98.1 Ų | 98.1 | 65% | 0.65 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -78.7 | -32.6 | 178.1 | -174.8 | 0 | 0 | 0 | 0 | 113.5 | N89 Q90 E91 R95 | N89-S93 WeakPolarHBondContact O-CB 3.5Å; N89-S93 PolarHBondContact O-N 2.85Å; Q90-S93 PolarHBondContact O-N 3.29Å; E91-S93 VanDerWaalsContact C-N 3.32Å; E91-S93 PolarHBondContact O-N 2.94Å; S93-R95 PolarHBondContact O-N 3.47Å |
| 94 | K | 72.6 | Confident | 68 | Low | 159 Ų | 159 | 95.8 Ų | 95.8 | 69% | 0.691 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -80.1 | 1.1 | 171.4 | -72.8 | 172.6 | -176.2 | 171.2 | 0 | 112.5 | Q90 E91 P96 | Q90-K94 WeakPolarHBondContact O-CA 3.27Å; Q90-K94 WeakPolarHBondContact O-CB 3.34Å; Q90-K94 WeakPolarHBondContact O-CG 3.41Å; Q90-K94 PolarHBondContact O-N 3.39Å; E91-K94 CarbonylContact O-C 3.6Å; E91-K94 PolarHBondContact O-N 2.88Å; K94-P96 WeakPolarHBondContact O-CD 3.43Å |
| 95 | R | 55.5 | Low | 66.5 | Low | 198 Ų | 198 | 95.1 Ų | 95.1 | 75% | 0.747 | 55% | 0.551 | S | S | * | * | trans | -95.4 | 55.4 | 162.4 | -158.1 | 178.6 | -178.8 | -161.9 | -1 | 109.9 | E91 L92 S93 | E91-R95 WeakPolarHBondContact O-CB 3.48Å; E91-R95 PolarHBondContact O-N 3.18Å; L92-R95 WeakPolarHBondContact O-CB 3.44Å; L92-R95 PolarHBondContact O-N 2.89Å; S93-R95 PolarHBondContact O-N 3.47Å | ||
| 96 | P | 51.5 | Low | 65.4 | Low | 90 Ų | 90 | 96.8 Ų | 96.8 | 58% | 0.584 | 56% | 0.557 | S | S | * | * | trans | -73.5 | 134.3 | 166.9 | 35.4 | -30.6 | 0 | 0 | 0 | 107.6 | K94 | K94-P96 WeakPolarHBondContact O-CD 3.43Š| ||
| 97 | E | 48.7 | Very low | 64.5 | Low | 152 Ų | 152 | 97 Ų | 97 | 71% | 0.71 | 56% | 0.557 | S | S | * | * | S | Bend | trans | 66.1 | 49.7 | 146.9 | -55 | -163.8 | 175.5 | 0 | 0 | 118.8 | ||
| 98 | A | 42.2 | Very low | 63.6 | Low | 111 Ų | 111 | 97.6 Ų | 97.6 | 92% | 0.917 | 56% | 0.559 | S | S | * | * | S | Bend | trans | -98.9 | -0.2 | 147.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 99 | G | 45.2 | Very low | 63.1 | Low | 51 Ų | 51 | 95.8 Ų | 95.8 | 53% | 0.526 | 56% | 0.56 | S | S | . | * | S | Bend | trans | -156.5 | 2.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 100 | G | 46.9 | Very low | 63.2 | Low | 32 Ų | 32 | 95.2 Ų | 95.2 | 33% | 0.33 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -92.9 | -25.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | A102 Q103 S104 | G100-A102 PolarHBondContact O-N 2.81Å; G100-Q103 PolarHBondContact O-N 3.31Å; G100-S104 PolarHBondContact O-N 2.84Å |
| 101 | G | 48.3 | Very low | 63 | Low | 40 Ų | 40 | 98.5 Ų | 98.5 | 41% | 0.412 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.8 | -34.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A105 | G101-A105 WeakPolarHBondContact O-CB 3.33Å; G101-A105 PolarHBondContact O-N 3.19Å |
| 102 | A | 51.1 | Low | 63 | Low | 71 Ų | 71 | 94.7 Ų | 94.7 | 59% | 0.587 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -69.8 | -41.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | G100 E106 | G100-A102 PolarHBondContact O-N 2.81Å; A102-E106 WeakPolarHBondContact O-CB 3.36Å; A102-E106 PolarHBondContact O-N 3.02Å |
| 103 | Q | 52.1 | Low | 63.6 | Low | 129 Ų | 129 | 93.9 Ų | 93.9 | 60% | 0.603 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -75 | -34.5 | -178.1 | -67.9 | -176.9 | -4.2 | 0 | 0 | 112.9 | G100 V107 | G100-Q103 PolarHBondContact O-N 3.31Å; Q103-V107 WeakPolarHBondContact O-CB 3.19Å; Q103-V107 WeakPolarHBondContact O-CG2 3.44Å; Q103-V107 PolarHBondContact O-N 2.69Å |
| 104 | S | 56.5 | Low | 64.4 | Low | 68 Ų | 68 | 93.4 Ų | 93.4 | 48% | 0.476 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -67.7 | -43.5 | 173.7 | -165 | 0 | 0 | 0 | 0 | 111.2 | G100 E106 V107 D108 | G100-S104 PolarHBondContact O-N 2.84Å; S104-E106 PolarHBondContact O-N 2.99Å; S104-V107 PolarHBondContact O-N 3.35Å; S104-D108 WeakPolarHBondContact O-CB 3.32Å; S104-D108 PolarHBondContact O-N 3.4Å |
| 105 | A | 62.8 | Low | 65.2 | Low | 61 Ų | 61 | 88.8 Ų | 88.8 | 50% | 0.504 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.3 | -36.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G101 A109 | G101-A105 WeakPolarHBondContact O-CB 3.33Å; G101-A105 PolarHBondContact O-N 3.19Å; A105-A109 WeakPolarHBondContact O-CB 3.29Å; A105-A109 PolarHBondContact O-N 3.17Å |
| 106 | E | 69.4 | Low | 66.9 | Low | 119 Ų | 119 | 86.2 Ų | 86.2 | 56% | 0.556 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -70.7 | -40.5 | 175.5 | -172.8 | 171.8 | -161.2 | 0 | 0 | 111.7 | A102 S104 A109 L110 | A102-E106 WeakPolarHBondContact O-CB 3.36Å; A102-E106 PolarHBondContact O-N 3.02Å; S104-E106 PolarHBondContact O-N 2.99Å; E106-A109 PolarHBondContact O-N 3.44Å; E106-L110 HydrophobicContact CG-CD1 4.24Å; E106-L110 VanDerWaalsContact O-CB 3.31Å; E106-L110 WeakPolarHBondContact O-CB 3.36Å; E106-L110 WeakPolarHBondContact O-CG 3.44Å; E106-L110 PolarHBondContact O-N 2.87Å |
| 107 | V | 70.9 | Confident | 68.7 | Low | 62 Ų | 62 | 86.6 Ų | 86.6 | 38% | 0.376 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 174.3 | 167.2 | 0 | 0 | 0 | 0 | 111 | Q103 S104 L110 R111 | Q103-V107 WeakPolarHBondContact O-CB 3.19Å; Q103-V107 WeakPolarHBondContact O-CG2 3.44Å; Q103-V107 PolarHBondContact O-N 2.69Å; S104-V107 PolarHBondContact O-N 3.35Å; V107-L110 PolarHBondContact O-N 2.93Å; V107-R111 VanDerWaalsContact CG1-NH2 3.25Å; V107-R111 WeakPolarHBondContact O-CB 3.48Å; V107-R111 WeakPolarHBondContact O-CG 3.36Å; V107-R111 PolarHBondContact O-N 3.12Å |
| 108 | D | 74.3 | Confident | 70.6 | Confident | 86 Ų | 86 | 84.4 Ų | 84.4 | 46% | 0.46 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.6 | -35 | 176.5 | -68.4 | -25.9 | 0 | 0 | 0 | 111.9 | S104 R111 A112 | S104-D108 WeakPolarHBondContact O-CB 3.32Å; S104-D108 PolarHBondContact O-N 3.4Å; D108-R111 PolarHBondContact O-N 3.04Å; D108-R111 IonicContact OD1-NE 2.73Å; D108-A112 WeakPolarHBondContact O-CB 3.2Å; D108-A112 PolarHBondContact O-N 2.88Å |
| 109 | A | 79.8 | Confident | 72.8 | Confident | 57 Ų | 57 | 81.3 Ų | 81.3 | 47% | 0.471 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.4 | A105 E106 A112 Q113 | A105-A109 WeakPolarHBondContact O-CB 3.29Å; A105-A109 PolarHBondContact O-N 3.17Å; E106-A109 PolarHBondContact O-N 3.44Å; A109-A112 PolarHBondContact O-N 3.48Å; A109-Q113 WeakPolarHBondContact O-CB 3.25Å; A109-Q113 PolarHBondContact O-N 3.48Å |
| 110 | L | 81.7 | Confident | 74.9 | Confident | 89 Ų | 89 | 84.2 Ų | 84.2 | 47% | 0.466 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67 | -40.8 | 174.8 | -74.2 | 170.2 | 0 | 0 | 0 | 111.2 | E106 V107 A112 Q113 V114 | E106-L110 HydrophobicContact CG-CD1 4.24Å; E106-L110 VanDerWaalsContact O-CB 3.31Å; E106-L110 WeakPolarHBondContact O-CB 3.36Å; E106-L110 WeakPolarHBondContact O-CG 3.44Å; E106-L110 PolarHBondContact O-N 2.87Å; V107-L110 PolarHBondContact O-N 2.93Å; L110-A112 VanDerWaalsContact C-N 3.34Å; L110-A112 PolarHBondContact O-N 3Å; L110-Q113 PolarHBondContact O-N 3.26Å; L110-V114 VanDerWaalsContact O-CG2 3.29Å; L110-V114 WeakPolarHBondContact O-CG2 3.43Å; L110-V114 PolarHBondContact O-N 2.91Å |
| 111 | R | 83.4 | Confident | 77.1 | Confident | 164 Ų | 164 | 88.7 Ų | 88.7 | 62% | 0.619 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.3 | -43.1 | 171.8 | -76.5 | -177.7 | -140 | -93.1 | 1.2 | 111.8 | V107 D108 Q113 V114 A115 | V107-R111 VanDerWaalsContact CG1-NH2 3.25Å; V107-R111 WeakPolarHBondContact O-CB 3.48Å; V107-R111 WeakPolarHBondContact O-CG 3.36Å; V107-R111 PolarHBondContact O-N 3.12Å; D108-R111 PolarHBondContact O-N 3.04Å; D108-R111 IonicContact OD1-NE 2.73Å; R111-Q113 VanDerWaalsContact C-N 3.32Å; R111-Q113 PolarHBondContact O-N 3.47Å; R111-V114 PolarHBondContact O-N 3.34Å; R111-A115 PolarHBondContact O-N 2.94Å |
| 112 | A | 84.6 | Confident | 78.9 | Confident | 42 Ų | 42 | 91.3 Ų | 91.3 | 35% | 0.347 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.4 | -35.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D108 A109 L110 A115 R116 | D108-A112 WeakPolarHBondContact O-CB 3.2Å; D108-A112 PolarHBondContact O-N 2.88Å; A109-A112 PolarHBondContact O-N 3.48Å; L110-A112 VanDerWaalsContact C-N 3.34Å; L110-A112 PolarHBondContact O-N 3Å; A112-A115 PolarHBondContact O-N 2.86Å; A112-R116 WeakPolarHBondContact O-CG 3.49Å; A112-R116 PolarHBondContact O-N 3.04Å; A112-R116 VanDerWaalsContact O-N 3.14Å; A112-R116 PolarHBondContact O-NH1 3.36Å |
| 113 | Q | 87.8 | Confident | 80.9 | Confident | 98 Ų | 98 | 93.2 Ų | 93.2 | 46% | 0.458 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.9 | -41.4 | 175 | -170.6 | 172.2 | 19.6 | 0 | 0 | 112.2 | A109 L110 R111 A115 R116 L117 | A109-Q113 WeakPolarHBondContact O-CB 3.25Å; A109-Q113 PolarHBondContact O-N 3.48Å; L110-Q113 PolarHBondContact O-N 3.26Å; R111-Q113 VanDerWaalsContact C-N 3.32Å; R111-Q113 PolarHBondContact O-N 3.47Å; Q113-A115 VanDerWaalsContact C-N 3.34Å; Q113-A115 PolarHBondContact O-N 3.26Å; Q113-R116 PolarHBondContact O-N 3.36Å; Q113-L117 HydrophobicContact CG-CD1 4.34Å; Q113-L117 WeakPolarHBondContact O-CG 3.42Å; Q113-L117 PolarHBondContact O-N 2.94Å |
| 114 | V | 88 | Confident | 82.8 | Confident | 83 Ų | 83 | 92.1 Ų | 92.1 | 50% | 0.503 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 173.7 | 170.1 | 0 | 0 | 0 | 0 | 110.5 | L110 R111 R116 L117 Q118 | L110-V114 VanDerWaalsContact O-CG2 3.29Å; L110-V114 WeakPolarHBondContact O-CG2 3.43Å; L110-V114 PolarHBondContact O-N 2.91Å; R111-V114 PolarHBondContact O-N 3.34Å; V114-R116 VanDerWaalsContact C-N 3.34Å; V114-R116 PolarHBondContact O-N 3.23Å; V114-L117 PolarHBondContact O-N 2.88Å; V114-Q118 WeakPolarHBondContact O-CB 3.47Å; V114-Q118 PolarHBondContact O-N 3.43Å |
| 115 | A | 88.5 | Confident | 84.5 | Confident | 62 Ų | 62 | 92.6 Ų | 92.6 | 51% | 0.512 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.8 | -40.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R111 A112 Q113 Q118 A119 | R111-A115 PolarHBondContact O-N 2.94Å; A112-A115 PolarHBondContact O-N 2.86Å; Q113-A115 VanDerWaalsContact C-N 3.34Å; Q113-A115 PolarHBondContact O-N 3.26Å; A115-Q118 PolarHBondContact O-N 3.35Å; A115-A119 PolarHBondContact O-N 3.39Å; A115-A119 VanDerWaalsContact O-N 3.13Å |
| 116 | R | 90.3 | Very high | 85.7 | Confident | 144 Ų | 144 | 92.4 Ų | 92.4 | 54% | 0.543 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.3 | -46.4 | 175.2 | -72.1 | -170.7 | -60.8 | -89.9 | 3.2 | 112.4 | A112 Q113 V114 Q118 A119 E120 | A112-R116 WeakPolarHBondContact O-CG 3.49Å; A112-R116 PolarHBondContact O-N 3.04Å; A112-R116 VanDerWaalsContact O-N 3.14Å; A112-R116 PolarHBondContact O-NH1 3.36Å; Q113-R116 PolarHBondContact O-N 3.36Å; V114-R116 VanDerWaalsContact C-N 3.34Å; V114-R116 PolarHBondContact O-N 3.23Å; R116-Q118 VanDerWaalsContact C-N 3.26Å; R116-Q118 PolarHBondContact O-N 3.49Å; R116-A119 WeakPolarHBondContact O-CB 3.3Å; R116-A119 PolarHBondContact O-N 3.45Å; R116-A119 VanDerWaalsContact O-N 3.13Å; R116-E120 PolarHBondContact O-N 2.9Å |
| 117 | L | 90.9 | Very high | 86.6 | Confident | 97 Ų | 97 | 91 Ų | 91 | 51% | 0.508 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.2 | -33.2 | 177.2 | -70.9 | 171.2 | 0 | 0 | 0 | 112.2 | Q113 V114 A119 K121 | Q113-L117 HydrophobicContact CG-CD1 4.34Å; Q113-L117 WeakPolarHBondContact O-CG 3.42Å; Q113-L117 PolarHBondContact O-N 2.94Å; V114-L117 PolarHBondContact O-N 2.88Å; L117-A119 VanDerWaalsContact C-N 3.35Å; L117-K121 VanDerWaalsContact O-CB 3.31Å; L117-K121 WeakPolarHBondContact O-CB 3.33Å; L117-K121 PolarHBondContact O-N 2.94Å |
| 118 | Q | 88.2 | Confident | 87.1 | Confident | 106 Ų | 106 | 92.9 Ų | 92.9 | 50% | 0.495 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 174.1 | -146.4 | 89.6 | 0.9 | 0 | 0 | 111.5 | V114 A115 R116 N122 | V114-Q118 WeakPolarHBondContact O-CB 3.47Å; V114-Q118 PolarHBondContact O-N 3.43Å; A115-Q118 PolarHBondContact O-N 3.35Å; R116-Q118 VanDerWaalsContact C-N 3.26Å; R116-Q118 PolarHBondContact O-N 3.49Å; Q118-N122 PolarHBondContact O-N 2.89Å; Q118-N122 VanDerWaalsContact O-N 3.11Å; Q118-N122 PolarHBondContact O-ND2 3.23Å; Q118-N122 PolarHBondContact O-OD1 2.94Å |
| 119 | A | 87.1 | Confident | 87.6 | Confident | 46 Ų | 46 | 91.6 Ų | 91.6 | 38% | 0.38 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67 | -48.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A115 R116 L117 K121 N122 D123 | A115-A119 PolarHBondContact O-N 3.39Å; A115-A119 VanDerWaalsContact O-N 3.13Å; R116-A119 WeakPolarHBondContact O-CB 3.3Å; R116-A119 PolarHBondContact O-N 3.45Å; R116-A119 VanDerWaalsContact O-N 3.13Å; L117-A119 VanDerWaalsContact C-N 3.35Å; A119-K121 VanDerWaalsContact C-N 3.3Å; A119-K121 PolarHBondContact O-N 3.17Å; A119-N122 WeakPolarHBondContact O-CB 3.25Å; A119-N122 PolarHBondContact O-N 3.41Å; A119-D123 PolarHBondContact O-N 3.17Å |
| 120 | E | 91.1 | Very high | 87.8 | Confident | 112 Ų | 112 | 93.3 Ų | 93.3 | 52% | 0.523 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.7 | -39.8 | 176.1 | -72.1 | 176.4 | -174.8 | 0 | 0 | 112.2 | R116 N122 D123 L124 | R116-E120 PolarHBondContact O-N 2.9Å; E120-N122 VanDerWaalsContact C-N 3.33Å; E120-N122 PolarHBondContact O-N 3.47Å; E120-D123 PolarHBondContact O-N 3.09Å; E120-L124 WeakPolarHBondContact O-CB 3.4Å; E120-L124 VanDerWaalsContact O-CG 3.31Å; E120-L124 WeakPolarHBondContact O-CG 3.32Å; E120-L124 PolarHBondContact O-N 3.07Å |
| 121 | K | 91.9 | Very high | 87.7 | Confident | 126 Ų | 126 | 93.6 Ų | 93.6 | 55% | 0.548 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.3 | -44.5 | 172.9 | 177.5 | -174.6 | 172.5 | -178.9 | 0 | 111.4 | L117 A119 L124 V125 | L117-K121 VanDerWaalsContact O-CB 3.31Å; L117-K121 WeakPolarHBondContact O-CB 3.33Å; L117-K121 PolarHBondContact O-N 2.94Å; A119-K121 VanDerWaalsContact C-N 3.3Å; A119-K121 PolarHBondContact O-N 3.17Å; K121-L124 PolarHBondContact O-N 3.42Å; K121-V125 WeakPolarHBondContact O-CB 3.41Å; K121-V125 VanDerWaalsContact O-CG2 3.26Å; K121-V125 WeakPolarHBondContact O-CG2 3.34Å; K121-V125 PolarHBondContact O-N 3.39Å |
| 122 | N | 87.3 | Confident | 87.5 | Confident | 95 Ų | 95 | 91.4 Ų | 91.4 | 51% | 0.508 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.5 | -39.4 | 180 | -68.2 | -19.9 | 0 | 0 | 0 | 111.4 | Q118 A119 E120 V125 A126 | Q118-N122 PolarHBondContact O-N 2.89Å; Q118-N122 VanDerWaalsContact O-N 3.11Å; Q118-N122 PolarHBondContact O-ND2 3.23Å; Q118-N122 PolarHBondContact O-OD1 2.94Å; A119-N122 WeakPolarHBondContact O-CB 3.25Å; A119-N122 PolarHBondContact O-N 3.41Å; E120-N122 VanDerWaalsContact C-N 3.33Å; E120-N122 PolarHBondContact O-N 3.47Å; N122-V125 PolarHBondContact O-N 2.76Å; N122-A126 PolarHBondContact O-N 3.42Å |
| 123 | D | 92.2 | Very high | 86.9 | Confident | 111 Ų | 111 | 93.9 Ų | 93.9 | 59% | 0.594 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -64.6 | -41.9 | 175.3 | -66.7 | -19.7 | 0 | 0 | 0 | 111.5 | A119 E120 V125 A126 L127 | A119-D123 PolarHBondContact O-N 3.17Å; E120-D123 PolarHBondContact O-N 3.09Å; D123-V125 VanDerWaalsContact C-N 3.34Å; D123-V125 PolarHBondContact O-N 2.93Å; D123-A126 PolarHBondContact O-N 2.93Å; D123-L127 WeakPolarHBondContact O-CB 3.46Å; D123-L127 PolarHBondContact O-N 3.44Å |
| 124 | L | 91.7 | Very high | 86.4 | Confident | 107 Ų | 107 | 94.8 Ų | 94.8 | 56% | 0.56 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.1 | -35.3 | 174.8 | -73.3 | 173.8 | 0 | 0 | 0 | 112.5 | E120 K121 N128 | E120-L124 WeakPolarHBondContact O-CB 3.4Å; E120-L124 VanDerWaalsContact O-CG 3.31Å; E120-L124 WeakPolarHBondContact O-CG 3.32Å; E120-L124 PolarHBondContact O-N 3.07Å; K121-L124 PolarHBondContact O-N 3.42Å; L124-N128 WeakPolarHBondContact O-CB 3.31Å; L124-N128 PolarHBondContact O-N 2.91Å |
| 125 | V | 92.7 | Very high | 85.5 | Confident | 78 Ų | 78 | 94 Ų | 94 | 47% | 0.473 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.4 | -40.2 | 173.5 | 167.4 | 0 | 0 | 0 | 0 | 110.8 | K121 N122 D123 N128 S129 | K121-V125 WeakPolarHBondContact O-CB 3.41Å; K121-V125 VanDerWaalsContact O-CG2 3.26Å; K121-V125 WeakPolarHBondContact O-CG2 3.34Å; K121-V125 PolarHBondContact O-N 3.39Å; N122-V125 PolarHBondContact O-N 2.76Å; D123-V125 VanDerWaalsContact C-N 3.34Å; D123-V125 PolarHBondContact O-N 2.93Å; V125-N128 PolarHBondContact O-N 2.93Å; V125-S129 WeakPolarHBondContact O-CB 3.42Å; V125-S129 PolarHBondContact O-N 3.25Å; V125-S129 PolarHBondContact O-OG 3.24Å |
| 126 | A | 88.8 | Confident | 84 | Confident | 57 Ų | 57 | 96.2 Ų | 96.2 | 47% | 0.471 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.8 | -44.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | N122 D123 S129 E130 | N122-A126 PolarHBondContact O-N 3.42Å; D123-A126 PolarHBondContact O-N 2.93Å; A126-S129 WeakPolarHBondContact O-CB 3.28Å; A126-S129 PolarHBondContact O-N 2.94Å; A126-E130 PolarHBondContact O-N 3.32Å |
| 127 | L | 87.8 | Confident | 82.5 | Confident | 90 Ų | 90 | 96.2 Ų | 96.2 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 175.9 | -171.3 | 69.7 | 0 | 0 | 0 | 111.9 | D123 S129 E130 L131 | D123-L127 WeakPolarHBondContact O-CB 3.46Å; D123-L127 PolarHBondContact O-N 3.44Å; L127-S129 VanDerWaalsContact C-N 3.32Å; L127-E130 PolarHBondContact O-N 3.36Å; L127-L131 HydrophobicContact CG-CD1 4.26Å; L127-L131 WeakPolarHBondContact O-CB 3.38Å; L127-L131 VanDerWaalsContact O-CG 3.27Å; L127-L131 WeakPolarHBondContact O-CG 3.47Å; L127-L131 PolarHBondContact O-N 2.9Å |
| 128 | N | 80.5 | Confident | 80.6 | Confident | 100 Ų | 100 | 94.8 Ų | 94.8 | 54% | 0.535 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62 | -42.3 | 172.8 | -107.1 | -42.7 | 0 | 0 | 0 | 111.2 | L124 V125 E130 L131 Q132 | L124-N128 WeakPolarHBondContact O-CB 3.31Å; L124-N128 PolarHBondContact O-N 2.91Å; V125-N128 PolarHBondContact O-N 2.93Å; N128-E130 VanDerWaalsContact C-N 3.3Å; N128-E130 PolarHBondContact O-N 3.37Å; N128-L131 PolarHBondContact O-N 3.47Å; N128-Q132 WeakPolarHBondContact O-CB 3.5Å; N128-Q132 PolarHBondContact O-N 2.93Å |
| 129 | S | 85.7 | Confident | 78.9 | Confident | 59 Ų | 59 | 92.7 Ų | 92.7 | 41% | 0.413 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -39.1 | 176.6 | -54.9 | 0 | 0 | 0 | 0 | 111.2 | V125 A126 L127 Q132 L133 | V125-S129 WeakPolarHBondContact O-CB 3.42Å; V125-S129 PolarHBondContact O-N 3.25Å; V125-S129 PolarHBondContact O-OG 3.24Å; A126-S129 WeakPolarHBondContact O-CB 3.28Å; A126-S129 PolarHBondContact O-N 2.94Å; L127-S129 VanDerWaalsContact C-N 3.32Å; S129-Q132 PolarHBondContact O-N 2.99Å; S129-L133 WeakPolarHBondContact O-CB 3.45Å; S129-L133 VanDerWaalsContact O-CG 3.25Å; S129-L133 WeakPolarHBondContact O-CG 3.42Å; S129-L133 PolarHBondContact O-N 3.25Å |
| 130 | E | 83 | Confident | 77.1 | Confident | 93 Ų | 93 | 99.1 Ų | 99.1 | 44% | 0.435 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.2 | -40.2 | 175.2 | -163.5 | -167.8 | 149 | 0 | 0 | 112.6 | A126 L127 N128 Q132 L133 K134 | A126-E130 PolarHBondContact O-N 3.32Å; L127-E130 PolarHBondContact O-N 3.36Å; N128-E130 VanDerWaalsContact C-N 3.3Å; N128-E130 PolarHBondContact O-N 3.37Å; E130-Q132 VanDerWaalsContact C-N 3.31Å; E130-L133 PolarHBondContact O-N 3Å; E130-K134 WeakPolarHBondContact O-CB 3.49Å; E130-K134 WeakPolarHBondContact O-CG 3.41Å; E130-K134 PolarHBondContact O-N 3.41Å; E130-K134 WeakPolarHBondContact OE1-CE 3.47Å; E130-K134 IonicContact OE1-NZ 2.66Å; E130-K134 PolarHBondContact OE1-NZ 3.48Å |
| 131 | L | 81.1 | Confident | 75 | Confident | 95 Ų | 95 | 102.7 Ų | 102.7 | 50% | 0.497 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.7 | -35.8 | 174.5 | -74 | 171 | 0 | 0 | 0 | 111.6 | L127 N128 K134 A135 | L127-L131 HydrophobicContact CG-CD1 4.26Å; L127-L131 WeakPolarHBondContact O-CB 3.38Å; L127-L131 VanDerWaalsContact O-CG 3.27Å; L127-L131 WeakPolarHBondContact O-CG 3.47Å; L127-L131 PolarHBondContact O-N 2.9Å; N128-L131 PolarHBondContact O-N 3.47Å; L131-K134 PolarHBondContact O-N 3.1Å; L131-A135 WeakPolarHBondContact O-CB 3.4Å; L131-A135 PolarHBondContact O-N 3.44Å |
| 132 | Q | 78.2 | Confident | 73 | Confident | 118 Ų | 118 | 103.8 Ų | 103.8 | 55% | 0.551 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -72.6 | -40 | 177.7 | -158.5 | 151.2 | -3.7 | 0 | 0 | 110.9 | N128 S129 E130 K134 A135 E136 | N128-Q132 WeakPolarHBondContact O-CB 3.5Å; N128-Q132 PolarHBondContact O-N 2.93Å; S129-Q132 PolarHBondContact O-N 2.99Å; E130-Q132 VanDerWaalsContact C-N 3.31Å; Q132-K134 VanDerWaalsContact C-N 3.34Å; Q132-K134 PolarHBondContact O-N 3.17Å; Q132-A135 WeakPolarHBondContact O-CB 3.34Å; Q132-A135 PolarHBondContact O-N 3.4Å; Q132-E136 WeakPolarHBondContact O-CB 3.49Å; Q132-E136 WeakPolarHBondContact O-CG 3.37Å; Q132-E136 PolarHBondContact O-N 3.48Å |
| 133 | L | 73.3 | Confident | 70.9 | Confident | 95 Ų | 95 | 104.5 Ų | 104.5 | 50% | 0.497 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.4 | -36.7 | 169.1 | -73.1 | 170 | 0 | 0 | 0 | 112.5 | S129 E130 E136 Q137 | S129-L133 WeakPolarHBondContact O-CB 3.45Å; S129-L133 VanDerWaalsContact O-CG 3.25Å; S129-L133 WeakPolarHBondContact O-CG 3.42Å; S129-L133 PolarHBondContact O-N 3.25Å; E130-L133 PolarHBondContact O-N 3Å; L133-E136 PolarHBondContact O-N 3.01Å; L133-Q137 WeakPolarHBondContact O-CB 3.47Å; L133-Q137 VanDerWaalsContact O-CG 3.25Å; L133-Q137 WeakPolarHBondContact O-CG 3.43Å; L133-Q137 PolarHBondContact O-N 2.86Å |
| 134 | K | 76 | Confident | 68.8 | Low | 116 Ų | 116 | 108.7 Ų | 108.7 | 50% | 0.504 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -69.8 | -32.8 | 173.2 | -79.5 | 169.7 | 171.4 | 162.6 | 0 | 112.6 | E130 L131 Q132 G138 | E130-K134 WeakPolarHBondContact O-CB 3.49Å; E130-K134 WeakPolarHBondContact O-CG 3.41Å; E130-K134 PolarHBondContact O-N 3.41Å; E130-K134 WeakPolarHBondContact OE1-CE 3.47Å; E130-K134 IonicContact OE1-NZ 2.66Å; E130-K134 PolarHBondContact OE1-NZ 3.48Å; L131-K134 PolarHBondContact O-N 3.1Å; Q132-K134 VanDerWaalsContact C-N 3.34Å; Q132-K134 PolarHBondContact O-N 3.17Å; K134-G138 PolarHBondContact O-N 3.27Å; K134-G138 VanDerWaalsContact O-N 3.12Å |
| 135 | A | 68.7 | Low | 66.4 | Low | 67 Ų | 67 | 110.6 Ų | 110.6 | 55% | 0.554 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71.2 | -37.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L131 Q132 G138 A139 | L131-A135 WeakPolarHBondContact O-CB 3.4Å; L131-A135 PolarHBondContact O-N 3.44Å; Q132-A135 WeakPolarHBondContact O-CB 3.34Å; Q132-A135 PolarHBondContact O-N 3.4Å; A135-G138 PolarHBondContact O-N 3.28Å; A135-A139 PolarHBondContact O-N 2.93Å |
| 136 | E | 57.7 | Low | 64 | Low | 109 Ų | 109 | 115.1 Ų | 115.1 | 51% | 0.509 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -69.5 | -38.8 | 173.6 | -73.3 | 170.2 | -176.4 | 0 | 0 | 111.7 | Q132 L133 G138 A139 E140 | Q132-E136 WeakPolarHBondContact O-CB 3.49Å; Q132-E136 WeakPolarHBondContact O-CG 3.37Å; Q132-E136 PolarHBondContact O-N 3.48Å; L133-E136 PolarHBondContact O-N 3.01Å; E136-G138 PolarHBondContact O-N 3.45Å; E136-A139 PolarHBondContact O-N 3.25Å; E136-E140 PolarHBondContact O-N 3Å |
| 137 | Q | 58.8 | Low | 61.5 | Low | 144 Ų | 144 | 120 Ų | 120 | 67% | 0.673 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -65.5 | -25.4 | 171.3 | -75.5 | 172.1 | 10 | 0 | 0 | 113.2 | L133 A139 | L133-Q137 WeakPolarHBondContact O-CB 3.47Å; L133-Q137 VanDerWaalsContact O-CG 3.25Å; L133-Q137 WeakPolarHBondContact O-CG 3.43Å; L133-Q137 PolarHBondContact O-N 2.86Å; Q137-A139 VanDerWaalsContact C-N 3.31Å |
| 138 | G | 51.4 | Low | 59.2 | Low | 66 Ų | 66 | 122 Ų | 122 | 68% | 0.68 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -10.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | K134 A135 E136 | K134-G138 PolarHBondContact O-N 3.27Å; K134-G138 VanDerWaalsContact O-N 3.12Å; A135-G138 PolarHBondContact O-N 3.28Å; E136-G138 PolarHBondContact O-N 3.45Å |
| 139 | A | 51.9 | Low | 57.4 | Low | 63 Ų | 63 | 128.4 Ų | 128.4 | 52% | 0.521 | 66% | 0.664 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.6 | -13.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | A135 E136 Q137 E141 D142 | A135-A139 PolarHBondContact O-N 2.93Å; E136-A139 PolarHBondContact O-N 3.25Å; Q137-A139 VanDerWaalsContact C-N 3.31Å; A139-E141 VanDerWaalsContact C-N 3.33Å; A139-E141 PolarHBondContact O-N 3.47Å; A139-D142 PolarHBondContact O-N 3.29Å |
| 140 | E | 49.7 | Very low | 54.9 | Low | 180 Ų | 180 | 131.6 Ų | 131.6 | 84% | 0.841 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 4.4 | 179.5 | -75.4 | -145.9 | 158.7 | 0 | 0 | 115.6 | E136 | E136-E140 PolarHBondContact O-N 3Š|
| 141 | E | 47.3 | Very low | 52.9 | Low | 187 Ų | 187 | 132.4 Ų | 132.4 | 87% | 0.874 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -2.9 | 164.9 | -76.5 | -154.9 | 164.4 | 0 | 0 | 114.1 | A139 | A139-E141 VanDerWaalsContact C-N 3.33Å; A139-E141 PolarHBondContact O-N 3.47Å |
| 142 | D | 49.8 | Very low | 50.5 | Low | 149 Ų | 149 | 135.3 Ų | 135.3 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -140 | 121.4 | 174.3 | -93.6 | -33.6 | 0 | 0 | 0 | 113.4 | A139 | A139-D142 PolarHBondContact O-N 3.29Š|
| 143 | S | 43.1 | Very low | 48.3 | Very low | 111 Ų | 111 | 134 Ų | 134 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | trans | 97.3 | 70.6 | 156.8 | -160.8 | 0 | 0 | 0 | 0 | 119.2 | I145 | S143-I145 PolarHBondContact O-N 2.92Š| ||
| 144 | F | 47.5 | Very low | 46.3 | Very low | 198 Ų | 198 | 132.5 Ų | 132.5 | 87% | 0.868 | 73% | 0.729 | S | S | * | * | 17.2 | 97.1 | 119.5 | -158.2 | -89.2 | 0 | 0 | 0 | 117.3 | |||||
| 145 | I | 42.1 | Very low | 44.4 | Very low | 148 Ų | 148 | 133.1 Ų | 133.1 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | trans | -153.8 | 119.3 | 132.8 | -62.8 | -162.3 | 0 | 0 | 0 | 109.1 | S143 | S143-I145 PolarHBondContact O-N 2.92Š| ||
| 146 | E | 40.8 | Very low | 42.8 | Very low | 173 Ų | 173 | 138.3 Ų | 138.3 | 81% | 0.808 | 76% | 0.755 | S | S | * | * | trans | -74.5 | 115.7 | 175.1 | -168.4 | 175.6 | -156.8 | 0 | 0 | 110.8 | ||||
| 147 | I | 37.1 | Very low | 41.6 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | trans | -93.3 | 106.7 | 169.7 | -62.2 | 177.1 | 0 | 0 | 0 | 108.6 | R149 | I147-R149 PolarHBondContact O-N 3.47Š| ||
| 148 | I | 39.6 | Very low | 40.4 | Very low | 134 Ų | 134 | 137.9 Ų | 137.9 | 69% | 0.687 | 76% | 0.764 | S | S | * | * | trans | -59.7 | 115.6 | 170.6 | -65.3 | 170.2 | 0 | 0 | 0 | 109.2 | V150 | I148-V150 HydrophobicContact CG2-CG2 3.85Š| ||
| 149 | R | 42.4 | Very low | 39.6 | Very low | 233 Ų | 233 | 141.1 Ų | 141.1 | 88% | 0.879 | 77% | 0.766 | S | S | * | * | trans | -79.3 | 121.8 | 160 | -80.4 | -174.7 | -73.8 | -120.7 | -4 | 108.7 | I147 | I147-R149 PolarHBondContact O-N 3.47Š| ||
| 150 | V | 33.8 | Very low | 38.8 | Very low | 127 Ų | 127 | 147 Ų | 147 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | -126.5 | 109.2 | 153.7 | -177.4 | 0 | 0 | 0 | 0 | 107.8 | I148 | I148-V150 HydrophobicContact CG2-CG2 3.85Š| ||
| 151 | S | 40.7 | Very low | 37.8 | Very low | 110 Ų | 110 | 143.8 Ų | 143.8 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | -86.5 | 129 | 156.1 | -51.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 152 | D | 30.2 | Very low | 37 | Very low | 156 Ų | 156 | 141.2 Ų | 141.2 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | trans | -168.7 | 143.9 | 136.2 | -141.7 | -6.5 | 0 | 0 | 0 | 114.3 | ||||
| 153 | A | 31.9 | Very low | 35.9 | Very low | 89 Ų | 89 | 137.3 Ų | 137.3 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | 19.7 | 140.9 | 151.7 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 154 | G | 32.9 | Very low | 35.4 | Very low | 64 Ų | 64 | 137.6 Ų | 137.6 | 66% | 0.66 | 77% | 0.773 | S | S | * | * | 124.5 | 104.6 | 120.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 155 | V | 34.9 | Very low | 34.4 | Very low | 129 Ų | 129 | 134.7 Ų | 134.7 | 78% | 0.782 | 76% | 0.763 | S | S | * | * | trans | 41.9 | 123 | 132.5 | -105.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 156 | E | 34.5 | Very low | 33.9 | Very low | 177 Ų | 177 | 136.8 Ų | 136.8 | 83% | 0.827 | 76% | 0.761 | S | S | * | * | 64.5 | 114.6 | 125.8 | -82.2 | 177.8 | -168.9 | 0 | 0 | 122.4 | |||||
| 157 | D | 32.7 | Very low | 34.1 | Very low | 146 Ų | 146 | 136.8 Ų | 136.8 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | 110.1 | 142.7 | 114.9 | -149.6 | 21.9 | 0 | 0 | 0 | 121 | |||||
| 158 | V | 34.8 | Very low | 34 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 59% | 0.594 | 77% | 0.767 | S | S | * | * | trans | 84.3 | 112.8 | 154.3 | -156.2 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 159 | N | 33 | Very low | 34.1 | Very low | 134 Ų | 134 | 144.8 Ų | 144.8 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | trans | 59.7 | 123.3 | 145.8 | -79.4 | -28.8 | 0 | 0 | 0 | 121 | ||||
| 160 | Q | 35.5 | Very low | 34 | Very low | 185 Ų | 185 | 139.8 Ų | 139.8 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | -156.5 | 130.3 | 103.2 | -146 | 121.2 | 28.2 | 0 | 0 | 113.2 | |||||
| 161 | T | 29.3 | Very low | 34.1 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | -44.2 | 144.2 | 169.9 | 42.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 162 | C | 29.8 | Very low | 34.4 | Very low | 133 Ų | 133 | 141.4 Ų | 141.4 | 90% | 0.899 | 77% | 0.769 | S | S | * | * | 131.4 | 129.7 | 115.3 | -161.6 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 163 | G | 27.8 | Very low | 35.3 | Very low | 66 Ų | 66 | 138.3 Ų | 138.3 | 68% | 0.68 | 76% | 0.759 | S | S | * | * | trans | 95.8 | 91.8 | 153.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 164 | S | 31.8 | Very low | 35.9 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | 62.8 | 125.1 | 73.5 | -145.1 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 165 | E | 27.9 | Very low | 36.7 | Very low | 138 Ų | 138 | 142.1 Ų | 142.1 | 65% | 0.645 | 75% | 0.752 | S | S | * | * | trans | 88.3 | 119.5 | 152.5 | -59.4 | -146.7 | 119.2 | 0 | 0 | 121.5 | ||||
| 166 | R | 31.3 | Very low | 37.3 | Very low | 192 Ų | 192 | 139.3 Ų | 139.3 | 73% | 0.725 | 74% | 0.736 | S | S | * | * | trans | 70.6 | 105 | 131.7 | -67.7 | 174 | -164.6 | -143 | 2 | 118.4 | R168 | R166-R168 PolarHBondContact O-N 2.95Š| ||
| 167 | I | 44.4 | Very low | 38.3 | Very low | 173 Ų | 173 | 133.7 Ų | 133.7 | 89% | 0.887 | 72% | 0.716 | S | S | * | * | -11.1 | 98.3 | 124.3 | -56 | 167.3 | 0 | 0 | 0 | 112.3 | |||||
| 168 | R | 35.5 | Very low | 39.4 | Very low | 228 Ų | 228 | 135 Ų | 135 | 86% | 0.86 | 71% | 0.71 | S | S | * | * | trans | -147.3 | 127 | 148.1 | -88.3 | -163.2 | 175.6 | 161.4 | -1.6 | 110 | R166 | R166-R168 PolarHBondContact O-N 2.95Š| ||
| 169 | R | 40.8 | Very low | 40.4 | Very low | 232 Ų | 232 | 135.6 Ų | 135.6 | 88% | 0.875 | 71% | 0.706 | S | S | * | * | trans | -43.5 | 142.2 | 172.9 | -64.4 | 174.4 | 175.1 | 172.9 | -3.6 | 113.2 | ||||
| 170 | P | 40 | Very low | 41.5 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 83% | 0.831 | 70% | 0.701 | S | S | * | * | trans | -119 | 90.4 | 146.7 | 28.1 | -12 | 0 | 0 | 0 | 109.4 | ||||
| 171 | D | 36.9 | Very low | 43.2 | Very low | 137 Ų | 137 | 131.4 Ų | 131.4 | 73% | 0.733 | 69% | 0.685 | S | S | * | * | trans | -141.8 | 39.3 | 169.7 | -152.6 | 16.8 | 0 | 0 | 0 | 112.7 | ||||
| 172 | L | 46.7 | Very low | 45.1 | Very low | 134 Ų | 134 | 130.9 Ų | 130.9 | 70% | 0.702 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -135 | 2.2 | 177.9 | -76.4 | 167.3 | 0 | 0 | 0 | 114.1 | T176 | L172-T176 PolarHBondContact O-OG1 2.9Š|
| 173 | S | 48.1 | Very low | 47 | Very low | 90 Ų | 90 | 129.7 Ų | 129.7 | 63% | 0.629 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -95.7 | -21.7 | -177.8 | -177.6 | 0 | 0 | 0 | 0 | 114.1 | T176 | S173-T176 PolarHBondContact O-OG1 3.36Å |
| 174 | M | 44.8 | Very low | 49.1 | Very low | 151 Ų | 151 | 128.7 Ų | 128.7 | 74% | 0.744 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -93.2 | -19.3 | -176.4 | -68.2 | -60 | -69.2 | 0 | 0 | 113.2 | ||
| 175 | T | 49.4 | Very low | 51.3 | Low | 82 Ų | 82 | 126.4 Ų | 126.4 | 50% | 0.503 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -85.9 | -36 | 176.6 | 49.8 | 0 | 0 | 0 | 0 | 112.1 | Q179 | T175-Q179 VanDerWaalsContact O-CB 3.3Å; T175-Q179 WeakPolarHBondContact O-CB 3.39Å; T175-Q179 PolarHBondContact O-N 3.46Å |
| 176 | T | 47.3 | Very low | 53.6 | Low | 71 Ų | 71 | 123.6 Ų | 123.6 | 44% | 0.436 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.9 | -45.7 | 175.8 | 41 | 0 | 0 | 0 | 0 | 112.2 | L172 S173 R178 Q179 E180 | L172-T176 PolarHBondContact O-OG1 2.9Å; S173-T176 PolarHBondContact O-OG1 3.36Å; T176-R178 VanDerWaalsContact C-N 3.32Å; T176-R178 PolarHBondContact O-N 3.23Å; T176-Q179 PolarHBondContact O-N 3.35Å; T176-E180 WeakPolarHBondContact O-CB 3.45Å; T176-E180 WeakPolarHBondContact O-CG 3.32Å; T176-E180 PolarHBondContact O-N 3.16Å |
| 177 | S | 56 | Low | 55.8 | Low | 58 Ų | 58 | 118 Ų | 118 | 41% | 0.406 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.9 | -34.9 | 176.6 | 176.5 | 0 | 0 | 0 | 0 | 113.4 | N181 | S177-N181 WeakPolarHBondContact O-CB 3.27Å; S177-N181 PolarHBondContact O-N 3.4Å; S177-N181 PolarHBondContact O-ND2 2.83Å |
| 178 | R | 55.7 | Low | 57.6 | Low | 173 Ų | 173 | 118.4 Ų | 118.4 | 65% | 0.653 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -73.2 | -40.6 | 176.7 | -166.4 | 177 | 178.3 | 170.4 | 5.8 | 111.4 | T176 N181 E182 | T176-R178 VanDerWaalsContact C-N 3.32Å; T176-R178 PolarHBondContact O-N 3.23Å; R178-N181 PolarHBondContact O-N 3.4Å; R178-E182 IonicContact NE-OE1 3.98Å; R178-E182 PolarHBondContact NE-OE1 3.03Å; R178-E182 WeakPolarHBondContact O-CG 3.48Å; R178-E182 PolarHBondContact O-N 3.36Å |
| 179 | Q | 55.7 | Low | 59.9 | Low | 112 Ų | 112 | 113 Ų | 113 | 52% | 0.523 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -69.7 | -38.2 | 178.1 | -167.7 | 167.1 | -17.2 | 0 | 0 | 112.4 | T175 T176 N181 E182 E183 | T175-Q179 VanDerWaalsContact O-CB 3.3Å; T175-Q179 WeakPolarHBondContact O-CB 3.39Å; T175-Q179 PolarHBondContact O-N 3.46Å; T176-Q179 PolarHBondContact O-N 3.35Å; Q179-N181 VanDerWaalsContact C-N 3.35Å; Q179-N181 PolarHBondContact O-N 2.98Å; Q179-E182 PolarHBondContact O-N 2.87Å; Q179-E183 PolarHBondContact NE2-OE1 3.39Å; Q179-E183 WeakPolarHBondContact O-CB 3.5Å; Q179-E183 WeakPolarHBondContact O-CG 3.41Å; Q179-E183 PolarHBondContact O-N 3.49Å |
| 180 | E | 57.5 | Low | 61.9 | Low | 130 Ų | 130 | 106 Ų | 106 | 61% | 0.607 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.4 | -36.9 | 173.2 | -75.3 | 174.9 | 177.1 | 0 | 0 | 112.3 | T176 A184 | T176-E180 WeakPolarHBondContact O-CB 3.45Å; T176-E180 WeakPolarHBondContact O-CG 3.32Å; T176-E180 PolarHBondContact O-N 3.16Å; E180-A184 WeakPolarHBondContact O-CB 3.4Å; E180-A184 PolarHBondContact O-N 3.03Å |
| 181 | N | 69.8 | Low | 64 | Low | 100 Ų | 100 | 104.5 Ų | 104.5 | 54% | 0.535 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70 | -38 | 174.7 | -81.8 | -47.7 | 0 | 0 | 0 | 112.5 | S177 R178 Q179 T185 | S177-N181 WeakPolarHBondContact O-CB 3.27Å; S177-N181 PolarHBondContact O-N 3.4Å; S177-N181 PolarHBondContact O-ND2 2.83Å; R178-N181 PolarHBondContact O-N 3.4Å; Q179-N181 VanDerWaalsContact C-N 3.35Å; Q179-N181 PolarHBondContact O-N 2.98Å; N181-T185 WeakPolarHBondContact O-CB 3.45Å; N181-T185 PolarHBondContact O-N 2.85Å; N181-T185 PolarHBondContact O-OG1 3.42Å |
| 182 | E | 69.3 | Low | 66.2 | Low | 103 Ų | 103 | 101.1 Ų | 101.1 | 48% | 0.481 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -68.8 | -43.5 | 174.9 | -72.6 | 171.8 | -169.6 | 0 | 0 | 110.8 | R178 Q179 T185 V186 | R178-E182 IonicContact NE-OE1 3.98Å; R178-E182 PolarHBondContact NE-OE1 3.03Å; R178-E182 WeakPolarHBondContact O-CG 3.48Å; R178-E182 PolarHBondContact O-N 3.36Å; Q179-E182 PolarHBondContact O-N 2.87Å; E182-T185 PolarHBondContact O-N 2.88Å; E182-V186 VanDerWaalsContact O-CG2 3.29Å; E182-V186 WeakPolarHBondContact O-CG2 3.42Å; E182-V186 PolarHBondContact O-N 3.35Å |
| 183 | E | 70.4 | Confident | 68.1 | Low | 109 Ų | 109 | 100.1 Ų | 100.1 | 51% | 0.509 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 175.1 | -75.6 | 176.9 | -168.4 | 0 | 0 | 112.6 | Q179 T185 V186 S187 | Q179-E183 PolarHBondContact NE2-OE1 3.39Å; Q179-E183 WeakPolarHBondContact O-CB 3.5Å; Q179-E183 WeakPolarHBondContact O-CG 3.41Å; Q179-E183 PolarHBondContact O-N 3.49Å; E183-T185 VanDerWaalsContact C-N 3.33Å; E183-V186 PolarHBondContact O-N 2.93Å; E183-S187 VanDerWaalsContact O-CB 3.28Å; E183-S187 WeakPolarHBondContact O-CB 3.49Å; E183-S187 PolarHBondContact O-N 2.93Å; E183-S187 PolarHBondContact O-OG 3.23Å |
| 184 | A | 72.7 | Confident | 69.9 | Low | 45 Ų | 45 | 103.4 Ų | 103.4 | 37% | 0.372 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.2 | -35.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112 | E180 R188 | E180-A184 WeakPolarHBondContact O-CB 3.4Å; E180-A184 PolarHBondContact O-N 3.03Å; A184-R188 WeakPolarHBondContact O-CB 3.36Å; A184-R188 PolarHBondContact O-N 3.35Å |
| 185 | T | 76.9 | Confident | 71.8 | Confident | 69 Ų | 69 | 100.1 Ų | 100.1 | 42% | 0.423 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.5 | -43.5 | 176.7 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | N181 E182 E183 S187 R188 L189 | N181-T185 WeakPolarHBondContact O-CB 3.45Å; N181-T185 PolarHBondContact O-N 2.85Å; N181-T185 PolarHBondContact O-OG1 3.42Å; E182-T185 PolarHBondContact O-N 2.88Å; E183-T185 VanDerWaalsContact C-N 3.33Å; T185-S187 VanDerWaalsContact C-N 3.35Å; T185-S187 PolarHBondContact O-N 3.31Å; T185-R188 WeakPolarHBondContact O-CB 3.38Å; T185-R188 PolarHBondContact O-N 3.49Å; T185-L189 HydrophobicContact CG2-CD1 4.38Å; T185-L189 WeakPolarHBondContact O-CG 3.49Å; T185-L189 PolarHBondContact O-N 3.3Å |
| 186 | V | 76.1 | Confident | 73.5 | Confident | 79 Ų | 79 | 100.6 Ų | 100.6 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.1 | -42.9 | 174.2 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | E182 E183 R188 L189 L190 | E182-V186 VanDerWaalsContact O-CG2 3.29Å; E182-V186 WeakPolarHBondContact O-CG2 3.42Å; E182-V186 PolarHBondContact O-N 3.35Å; E183-V186 PolarHBondContact O-N 2.93Å; V186-R188 VanDerWaalsContact C-N 3.31Å; V186-R188 PolarHBondContact O-N 3.4Å; V186-L189 PolarHBondContact O-N 3.39Å; V186-L190 HydrophobicContact CG1-CD1 3.91Å; V186-L190 HydrophobicContact CG1-CG 4.29Å; V186-L190 WeakPolarHBondContact O-CB 3.39Å; V186-L190 WeakPolarHBondContact O-CG 3.38Å; V186-L190 PolarHBondContact O-N 3.19Å |
| 187 | S | 78.5 | Confident | 75.2 | Confident | 75 Ų | 75 | 100.4 Ų | 100.4 | 52% | 0.524 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.3 | -39.2 | 176.1 | -62.9 | 0 | 0 | 0 | 0 | 112.1 | E183 T185 Q191 | E183-S187 VanDerWaalsContact O-CB 3.28Å; E183-S187 WeakPolarHBondContact O-CB 3.49Å; E183-S187 PolarHBondContact O-N 2.93Å; E183-S187 PolarHBondContact O-OG 3.23Å; T185-S187 VanDerWaalsContact C-N 3.35Å; T185-S187 PolarHBondContact O-N 3.31Å; S187-Q191 WeakPolarHBondContact O-CB 3.46Å; S187-Q191 PolarHBondContact O-N 2.91Å |
| 188 | R | 82.3 | Confident | 76.6 | Confident | 180 Ų | 180 | 102.8 Ų | 102.8 | 68% | 0.679 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.1 | -40.7 | 175.6 | -164.2 | -179.1 | -58.7 | 155.9 | 5.3 | 112.2 | A184 T185 V186 Q191 S192 | A184-R188 WeakPolarHBondContact O-CB 3.36Å; A184-R188 PolarHBondContact O-N 3.35Å; T185-R188 WeakPolarHBondContact O-CB 3.38Å; T185-R188 PolarHBondContact O-N 3.49Å; V186-R188 VanDerWaalsContact C-N 3.31Å; V186-R188 PolarHBondContact O-N 3.4Å; R188-Q191 PolarHBondContact O-N 2.93Å; R188-S192 WeakPolarHBondContact O-CB 3.38Å; R188-S192 PolarHBondContact O-N 2.66Å |
| 189 | L | 83.9 | Confident | 78.1 | Confident | 115 Ų | 115 | 101.5 Ų | 101.5 | 60% | 0.602 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.2 | -42.4 | 176.1 | -71.8 | 170.7 | 0 | 0 | 0 | 111.9 | T185 V186 Q191 S192 L193 | T185-L189 HydrophobicContact CG2-CD1 4.38Å; T185-L189 WeakPolarHBondContact O-CG 3.49Å; T185-L189 PolarHBondContact O-N 3.3Å; V186-L189 PolarHBondContact O-N 3.39Å; L189-Q191 VanDerWaalsContact C-N 3.35Å; L189-Q191 PolarHBondContact O-N 2.91Å; L189-S192 PolarHBondContact O-N 3.17Å; L189-L193 WeakPolarHBondContact O-CB 3.47Å; L189-L193 PolarHBondContact O-N 3Å |
| 190 | L | 82.1 | Confident | 79.4 | Confident | 85 Ų | 85 | 99.8 Ų | 99.8 | 45% | 0.445 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 175.9 | -72.2 | 174.1 | 0 | 0 | 0 | 112 | V186 L193 R194 | V186-L190 HydrophobicContact CG1-CD1 3.91Å; V186-L190 HydrophobicContact CG1-CG 4.29Å; V186-L190 WeakPolarHBondContact O-CB 3.39Å; V186-L190 WeakPolarHBondContact O-CG 3.38Å; V186-L190 PolarHBondContact O-N 3.19Å; L190-L193 PolarHBondContact O-N 2.95Å; L190-R194 WeakPolarHBondContact O-CG 3.34Å; L190-R194 PolarHBondContact O-N 3.42Å |
| 191 | Q | 84.8 | Confident | 80.7 | Confident | 96 Ų | 96 | 99.4 Ų | 99.4 | 45% | 0.449 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 174.1 | -168.9 | 63.2 | 36.3 | 0 | 0 | 111.5 | S187 R188 L189 L193 R194 N195 | S187-Q191 WeakPolarHBondContact O-CB 3.46Å; S187-Q191 PolarHBondContact O-N 2.91Å; R188-Q191 PolarHBondContact O-N 2.93Å; L189-Q191 VanDerWaalsContact C-N 3.35Å; L189-Q191 PolarHBondContact O-N 2.91Å; Q191-L193 VanDerWaalsContact C-N 3.33Å; Q191-L193 PolarHBondContact O-N 3.45Å; Q191-R194 PolarHBondContact O-N 2.92Å; Q191-N195 PolarHBondContact NE2-OD1 2.96Å; Q191-N195 PolarHBondContact O-N 2.95Å; Q191-N195 PolarHBondContact O-OD1 3.25Å |
| 192 | S | 82.9 | Confident | 81.4 | Confident | 67 Ų | 67 | 99.5 Ų | 99.5 | 47% | 0.469 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 174.5 | -167 | 0 | 0 | 0 | 0 | 111.9 | R188 L189 N195 E196 | R188-S192 WeakPolarHBondContact O-CB 3.38Å; R188-S192 PolarHBondContact O-N 2.66Å; L189-S192 PolarHBondContact O-N 3.17Å; S192-N195 PolarHBondContact O-N 3.26Å; S192-E196 PolarHBondContact O-N 3.26Å |
| 193 | L | 84.9 | Confident | 82.3 | Confident | 112 Ų | 112 | 99 Ų | 99 | 59% | 0.586 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.8 | -41.5 | 177.5 | -168.5 | 71.9 | 0 | 0 | 0 | 111.5 | L189 L190 Q191 E196 T197 | L189-L193 WeakPolarHBondContact O-CB 3.47Å; L189-L193 PolarHBondContact O-N 3Å; L190-L193 PolarHBondContact O-N 2.95Å; Q191-L193 VanDerWaalsContact C-N 3.33Å; Q191-L193 PolarHBondContact O-N 3.45Å; L193-E196 PolarHBondContact O-N 3.49Å; L193-T197 WeakPolarHBondContact O-CB 3.34Å; L193-T197 PolarHBondContact O-N 2.92Å; L193-T197 PolarHBondContact O-OG1 2.88Å |
| 194 | R | 86.4 | Confident | 83 | Confident | 159 Ų | 159 | 99.6 Ų | 99.6 | 60% | 0.6 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.1 | -44.4 | 174 | -75.1 | 175.2 | -176.7 | 151.2 | 0.8 | 111.8 | L190 Q191 T197 Q198 | L190-R194 WeakPolarHBondContact O-CG 3.34Å; L190-R194 PolarHBondContact O-N 3.42Å; Q191-R194 PolarHBondContact O-N 2.92Å; R194-T197 PolarHBondContact O-N 3.31Å; R194-Q198 WeakPolarHBondContact O-CB 3.37Å; R194-Q198 PolarHBondContact O-N 3.45Å |
| 195 | N | 85.2 | Confident | 83.5 | Confident | 82 Ų | 82 | 100.5 Ų | 100.5 | 44% | 0.439 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 177.9 | -67.5 | -7.5 | 0 | 0 | 0 | 111.4 | Q191 S192 Q198 R199 | Q191-N195 PolarHBondContact NE2-OD1 2.96Å; Q191-N195 PolarHBondContact O-N 2.95Å; Q191-N195 PolarHBondContact O-OD1 3.25Å; S192-N195 PolarHBondContact O-N 3.26Å; N195-Q198 PolarHBondContact O-N 2.96Å; N195-R199 WeakPolarHBondContact O-CB 3.5Å; N195-R199 PolarHBondContact O-N 3.36Å |
| 196 | E | 84.4 | Confident | 84 | Confident | 92 Ų | 92 | 102.7 Ų | 102.7 | 43% | 0.43 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.1 | -31.2 | 176.1 | -79 | -53.6 | 153.5 | 0 | 0 | 113.3 | S192 L193 R199 C200 | S192-E196 PolarHBondContact O-N 3.26Å; L193-E196 PolarHBondContact O-N 3.49Å; E196-R199 PolarHBondContact O-N 3.39Å; E196-R199 IonicContact OE1-NH1 3.72Å; E196-R199 WeakPolarHBondContact OE2-CD 3.39Å; E196-C200 WeakPolarHBondContact O-CB 3.4Å; E196-C200 PolarHBondContact O-N 3.38Å; E196-C200 PolarHBondContact O-SG 3.48Å; E196-C200 VanDerWaalsContact O-SG 3.38Å |
| 197 | T | 83.7 | Confident | 84.5 | Confident | 68 Ų | 68 | 104.6 Ų | 104.6 | 42% | 0.417 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.4 | -45.8 | 172.7 | -53.4 | 0 | 0 | 0 | 0 | 110.4 | L193 R194 R199 C200 E201 | L193-T197 WeakPolarHBondContact O-CB 3.34Å; L193-T197 PolarHBondContact O-N 2.92Å; L193-T197 PolarHBondContact O-OG1 2.88Å; R194-T197 PolarHBondContact O-N 3.31Å; T197-R199 VanDerWaalsContact C-N 3.31Å; T197-R199 PolarHBondContact O-N 2.91Å; T197-C200 WeakPolarHBondContact O-CB 3.32Å; T197-C200 PolarHBondContact O-N 2.91Å; T197-E201 WeakPolarHBondContact O-CG 3.42Å; T197-E201 PolarHBondContact O-N 3.29Å |
| 198 | Q | 85.7 | Confident | 84.9 | Confident | 107 Ų | 107 | 107.1 Ų | 107.1 | 50% | 0.5 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.7 | -36.7 | 175.8 | -169.6 | 178.3 | 8.4 | 0 | 0 | 112.1 | R194 N195 E201 Q202 | R194-Q198 WeakPolarHBondContact O-CB 3.37Å; R194-Q198 PolarHBondContact O-N 3.45Å; N195-Q198 PolarHBondContact O-N 2.96Å; Q198-E201 PolarHBondContact O-N 2.9Å; Q198-Q202 WeakPolarHBondContact O-CG 3.37Å; Q198-Q202 PolarHBondContact O-N 2.93Å |
| 199 | R | 85.9 | Confident | 85.3 | Confident | 147 Ų | 147 | 103.4 Ų | 103.4 | 56% | 0.555 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.2 | -41.5 | 175 | -166 | -179.8 | -168.9 | 145.3 | 4.5 | 111.9 | N195 E196 T197 Q202 L203 | N195-R199 WeakPolarHBondContact O-CB 3.5Å; N195-R199 PolarHBondContact O-N 3.36Å; E196-R199 PolarHBondContact O-N 3.39Å; E196-R199 IonicContact OE1-NH1 3.72Å; E196-R199 WeakPolarHBondContact OE2-CD 3.39Å; T197-R199 VanDerWaalsContact C-N 3.31Å; T197-R199 PolarHBondContact O-N 2.91Å; R199-Q202 PolarHBondContact O-N 2.93Å; R199-L203 HydrophobicContact CG-CD1 4.38Å; R199-L203 WeakPolarHBondContact O-CB 3.08Å; R199-L203 WeakPolarHBondContact O-CG 3.47Å; R199-L203 PolarHBondContact O-N 3.49Å |
| 200 | C | 83 | Confident | 85.2 | Confident | 76 Ų | 76 | 101.3 Ų | 101.3 | 51% | 0.514 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -43.5 | 173.2 | -78.6 | 0 | 0 | 0 | 0 | 111.7 | E196 T197 L203 Q204 | E196-C200 WeakPolarHBondContact O-CB 3.4Å; E196-C200 PolarHBondContact O-N 3.38Å; E196-C200 PolarHBondContact O-SG 3.48Å; E196-C200 VanDerWaalsContact O-SG 3.38Å; T197-C200 WeakPolarHBondContact O-CB 3.32Å; T197-C200 PolarHBondContact O-N 2.91Å; C200-L203 PolarHBondContact O-N 3.37Å; C200-Q204 VanDerWaalsContact O-CB 3.26Å; C200-Q204 WeakPolarHBondContact O-CB 3.45Å; C200-Q204 PolarHBondContact O-N 2.91Å |
| 201 | E | 85.1 | Confident | 85.4 | Confident | 122 Ų | 122 | 100.3 Ų | 100.3 | 57% | 0.57 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.6 | -41.8 | 176.3 | -72.8 | 173.6 | 178.3 | 0 | 0 | 112 | T197 Q198 Q204 S205 | T197-E201 WeakPolarHBondContact O-CG 3.42Å; T197-E201 PolarHBondContact O-N 3.29Å; Q198-E201 PolarHBondContact O-N 2.9Å; E201-Q204 PolarHBondContact O-N 3.4Å; E201-S205 PolarHBondContact O-N 2.93Å |
| 202 | Q | 85.8 | Confident | 85.4 | Confident | 102 Ų | 102 | 98 Ų | 98 | 48% | 0.477 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.5 | -51.3 | 174.4 | -74.9 | 173 | 2.4 | 0 | 0 | 111.4 | Q198 R199 Q204 S205 E206 | Q198-Q202 WeakPolarHBondContact O-CG 3.37Å; Q198-Q202 PolarHBondContact O-N 2.93Å; R199-Q202 PolarHBondContact O-N 2.93Å; Q202-Q204 VanDerWaalsContact C-N 3.26Å; Q202-Q204 PolarHBondContact O-N 3.18Å; Q202-S205 PolarHBondContact O-N 3.26Å; Q202-S205 VanDerWaalsContact O-N 3.12Å; Q202-S205 PolarHBondContact O-OG 3.34Å; Q202-E206 PolarHBondContact O-N 2.92Å |
| 203 | L | 87.2 | Confident | 85.7 | Confident | 93 Ų | 93 | 103.6 Ų | 103.6 | 49% | 0.487 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.4 | -37 | 177.2 | -72.3 | 171.6 | 0 | 0 | 0 | 111.9 | R199 C200 E206 L207 | R199-L203 HydrophobicContact CG-CD1 4.38Å; R199-L203 WeakPolarHBondContact O-CB 3.08Å; R199-L203 WeakPolarHBondContact O-CG 3.47Å; R199-L203 PolarHBondContact O-N 3.49Å; C200-L203 PolarHBondContact O-N 3.37Å; L203-E206 PolarHBondContact O-N 3.25Å; L203-L207 VanDerWaalsContact O-CB 3.27Å; L203-L207 WeakPolarHBondContact O-CB 3.44Å; L203-L207 PolarHBondContact O-N 2.91Å |
| 204 | Q | 84.5 | Confident | 85.5 | Confident | 121 Ų | 121 | 102.8 Ų | 102.8 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.3 | -40.1 | 176.3 | -170.9 | 171.6 | 10 | 0 | 0 | 111.7 | C200 E201 Q202 L207 Q208 | C200-Q204 VanDerWaalsContact O-CB 3.26Å; C200-Q204 WeakPolarHBondContact O-CB 3.45Å; C200-Q204 PolarHBondContact O-N 2.91Å; E201-Q204 PolarHBondContact O-N 3.4Å; Q202-Q204 VanDerWaalsContact C-N 3.26Å; Q202-Q204 PolarHBondContact O-N 3.18Å; Q204-L207 PolarHBondContact O-N 3.49Å; Q204-Q208 WeakPolarHBondContact O-CG 3.5Å; Q204-Q208 PolarHBondContact O-N 3.31Å |
| 205 | S | 83.8 | Confident | 85.4 | Confident | 63 Ų | 63 | 100.2 Ų | 100.2 | 44% | 0.441 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 174.5 | 74.7 | 0 | 0 | 0 | 0 | 112.3 | E201 Q202 L207 Q208 V209 | E201-S205 PolarHBondContact O-N 2.93Å; Q202-S205 PolarHBondContact O-N 3.26Å; Q202-S205 VanDerWaalsContact O-N 3.12Å; Q202-S205 PolarHBondContact O-OG 3.34Å; S205-L207 VanDerWaalsContact C-N 3.34Å; S205-L207 PolarHBondContact O-N 3.28Å; S205-Q208 PolarHBondContact O-N 2.9Å; S205-V209 WeakPolarHBondContact O-CG2 3.5Å; S205-V209 PolarHBondContact O-N 3.44Å |
| 206 | E | 88.3 | Confident | 85.1 | Confident | 116 Ų | 116 | 100.5 Ų | 100.5 | 54% | 0.542 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 175.4 | -71.9 | 179.7 | -176.4 | 0 | 0 | 112 | Q202 L203 V209 C210 | Q202-E206 PolarHBondContact O-N 2.92Å; L203-E206 PolarHBondContact O-N 3.25Å; E206-V209 PolarHBondContact O-N 3.42Å; E206-C210 PolarHBondContact O-N 3.45Å; E206-C210 PolarHBondContact O-SG 2.99Å |
| 207 | L | 86.8 | Confident | 84.8 | Confident | 118 Ų | 118 | 101 Ų | 101 | 62% | 0.618 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.3 | -36.6 | 178.9 | -154.6 | 147.4 | 0 | 0 | 0 | 111.4 | L203 Q204 S205 C210 T211 | L203-L207 VanDerWaalsContact O-CB 3.27Å; L203-L207 WeakPolarHBondContact O-CB 3.44Å; L203-L207 PolarHBondContact O-N 2.91Å; Q204-L207 PolarHBondContact O-N 3.49Å; S205-L207 VanDerWaalsContact C-N 3.34Å; S205-L207 PolarHBondContact O-N 3.28Å; L207-C210 PolarHBondContact O-N 2.9Å; L207-T211 VanDerWaalsContact O-CB 3.31Å; L207-T211 WeakPolarHBondContact O-CB 3.4Å; L207-T211 PolarHBondContact O-N 2.94Å; L207-T211 PolarHBondContact O-OG1 2.95Å |
| 208 | Q | 86.7 | Confident | 84.4 | Confident | 129 Ų | 129 | 102.8 Ų | 102.8 | 60% | 0.603 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.9 | -43.3 | 170.4 | -76.5 | -179.2 | -4.3 | 0 | 0 | 111.9 | Q204 S205 T211 A212 | Q204-Q208 WeakPolarHBondContact O-CG 3.5Å; Q204-Q208 PolarHBondContact O-N 3.31Å; S205-Q208 PolarHBondContact O-N 2.9Å; Q208-T211 PolarHBondContact O-N 2.98Å; Q208-A212 PolarHBondContact O-N 3.42Å |
| 209 | V | 90.7 | Very high | 83.9 | Confident | 101 Ų | 101 | 103.7 Ų | 103.7 | 61% | 0.612 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.5 | -43.7 | 176.1 | 172 | 0 | 0 | 0 | 0 | 111.5 | S205 E206 T211 A212 R213 | S205-V209 WeakPolarHBondContact O-CG2 3.5Å; S205-V209 PolarHBondContact O-N 3.44Å; E206-V209 PolarHBondContact O-N 3.42Å; V209-T211 VanDerWaalsContact C-N 3.33Å; V209-T211 PolarHBondContact O-N 3.42Å; V209-A212 PolarHBondContact O-N 3.47Å; V209-R213 PolarHBondContact O-N 2.9Å |
| 210 | C | 81 | Confident | 83 | Confident | 71 Ų | 71 | 101.6 Ų | 101.6 | 48% | 0.48 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.4 | -38.9 | 176.9 | -70.4 | 0 | 0 | 0 | 0 | 111.9 | E206 L207 R213 I214 | E206-C210 PolarHBondContact O-N 3.45Å; E206-C210 PolarHBondContact O-SG 2.99Å; L207-C210 PolarHBondContact O-N 2.9Å; C210-R213 PolarHBondContact O-N 3.47Å; C210-I214 WeakPolarHBondContact O-CG1 3.5Å; C210-I214 PolarHBondContact O-N 3.31Å |
| 211 | T | 86.1 | Confident | 82.2 | Confident | 65 Ų | 65 | 105.4 Ų | 105.4 | 40% | 0.399 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.4 | -42.2 | 177.5 | -59.1 | 0 | 0 | 0 | 0 | 111.2 | L207 Q208 V209 R213 I214 Q215 | L207-T211 VanDerWaalsContact O-CB 3.31Å; L207-T211 WeakPolarHBondContact O-CB 3.4Å; L207-T211 PolarHBondContact O-N 2.94Å; L207-T211 PolarHBondContact O-OG1 2.95Å; Q208-T211 PolarHBondContact O-N 2.98Å; V209-T211 VanDerWaalsContact C-N 3.33Å; V209-T211 PolarHBondContact O-N 3.42Å; T211-R213 VanDerWaalsContact C-N 3.33Å; T211-R213 PolarHBondContact O-N 2.99Å; T211-I214 PolarHBondContact O-N 3.49Å; T211-Q215 PolarHBondContact O-N 3.15Å |
| 212 | A | 85.3 | Confident | 81.1 | Confident | 48 Ų | 48 | 107 Ų | 107 | 40% | 0.397 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61 | -42 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q208 V209 I214 Q215 D216 | Q208-A212 PolarHBondContact O-N 3.42Å; V209-A212 PolarHBondContact O-N 3.47Å; A212-I214 PolarHBondContact O-N 3.31Å; A212-Q215 PolarHBondContact O-N 3.34Å; A212-D216 PolarHBondContact O-N 2.94Å |
| 213 | R | 88.4 | Confident | 79.8 | Confident | 183 Ų | 183 | 107.5 Ų | 107.5 | 69% | 0.691 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.4 | -38 | 177.2 | -163.2 | 169.5 | 99.3 | 171.6 | 5.2 | 112.9 | V209 C210 T211 D216 L217 | V209-R213 PolarHBondContact O-N 2.9Å; C210-R213 PolarHBondContact O-N 3.47Å; T211-R213 VanDerWaalsContact C-N 3.33Å; T211-R213 PolarHBondContact O-N 2.99Å; R213-D216 PolarHBondContact O-N 3.44Å; R213-L217 WeakPolarHBondContact O-CG 3.37Å; R213-L217 PolarHBondContact O-N 3.05Å |
| 214 | I | 82.6 | Confident | 78.2 | Confident | 95 Ų | 95 | 110.7 Ų | 110.7 | 49% | 0.487 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.4 | -43.4 | 174.9 | -69.2 | 167.3 | 0 | 0 | 0 | 110.4 | C210 T211 A212 D216 L217 E218 | C210-I214 WeakPolarHBondContact O-CG1 3.5Å; C210-I214 PolarHBondContact O-N 3.31Å; T211-I214 PolarHBondContact O-N 3.49Å; A212-I214 PolarHBondContact O-N 3.31Å; I214-D216 VanDerWaalsContact C-N 3.28Å; I214-D216 PolarHBondContact O-N 3Å; I214-L217 PolarHBondContact O-N 2.84Å; I214-E218 HydrophobicContact CG2-CG 4.38Å; I214-E218 WeakPolarHBondContact O-CG 3.34Å; I214-E218 PolarHBondContact O-N 3.21Å |
| 215 | Q | 83.6 | Confident | 76.4 | Confident | 106 Ų | 106 | 112.9 Ų | 112.9 | 50% | 0.495 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -60.9 | -36.5 | 176.2 | -76.1 | -176.3 | -5 | 0 | 0 | 112.8 | T211 A212 E218 K219 | T211-Q215 PolarHBondContact O-N 3.15Å; A212-Q215 PolarHBondContact O-N 3.34Å; Q215-E218 PolarHBondContact O-N 3.03Å; Q215-K219 WeakPolarHBondContact O-CG 3.3Å; Q215-K219 PolarHBondContact O-N 2.88Å |
| 216 | D | 79.3 | Confident | 74.6 | Confident | 87 Ų | 87 | 115.6 Ų | 115.6 | 47% | 0.465 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -70.3 | -38.7 | 175 | -74.1 | -18.2 | 0 | 0 | 0 | 112.3 | A212 R213 I214 E218 K219 N220 | A212-D216 PolarHBondContact O-N 2.94Å; R213-D216 PolarHBondContact O-N 3.44Å; I214-D216 VanDerWaalsContact C-N 3.28Å; I214-D216 PolarHBondContact O-N 3Å; D216-E218 VanDerWaalsContact C-N 3.35Å; D216-K219 PolarHBondContact O-N 3.38Å; D216-K219 IonicContact OD1-NZ 3.6Å; D216-N220 VanDerWaalsContact O-CG 3.23Å; D216-N220 PolarHBondContact O-N 3.34Å; D216-N220 PolarHBondContact O-ND2 3.34Å |
| 217 | L | 78 | Confident | 72.2 | Confident | 104 Ų | 104 | 117.2 Ų | 117.2 | 55% | 0.545 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.1 | -36.6 | 172.5 | -72.5 | 172.8 | 0 | 0 | 0 | 112.3 | R213 I214 N220 Y221 | R213-L217 WeakPolarHBondContact O-CG 3.37Å; R213-L217 PolarHBondContact O-N 3.05Å; I214-L217 PolarHBondContact O-N 2.84Å; L217-N220 PolarHBondContact O-N 3.3Å; L217-Y221 VanDerWaalsContact O-CB 3.3Å; L217-Y221 WeakPolarHBondContact O-CB 3.43Å; L217-Y221 PolarHBondContact O-N 3.48Å |
| 218 | E | 75.6 | Confident | 69.9 | Low | 105 Ų | 105 | 120.5 Ų | 120.5 | 49% | 0.491 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.1 | -35.6 | 175.2 | -75.5 | -178.1 | 168.9 | 0 | 0 | 112.7 | I214 Q215 D216 K222 | I214-E218 HydrophobicContact CG2-CG 4.38Å; I214-E218 WeakPolarHBondContact O-CG 3.34Å; I214-E218 PolarHBondContact O-N 3.21Å; Q215-E218 PolarHBondContact O-N 3.03Å; D216-E218 VanDerWaalsContact C-N 3.35Å; E218-K222 WeakPolarHBondContact O-CG 3.3Å; E218-K222 PolarHBondContact O-N 3.12Å; E218-K222 VanDerWaalsContact O-N 3.17Å |
| 219 | K | 74.3 | Confident | 67.2 | Low | 125 Ų | 125 | 120.2 Ų | 120.2 | 54% | 0.543 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -65 | -42.6 | 171.4 | -72.5 | 171 | -168.8 | 162 | 0 | 110.9 | Q215 D216 K222 V223 | Q215-K219 WeakPolarHBondContact O-CG 3.3Å; Q215-K219 PolarHBondContact O-N 2.88Å; D216-K219 PolarHBondContact O-N 3.38Å; D216-K219 IonicContact OD1-NZ 3.6Å; K219-K222 PolarHBondContact O-N 3.4Å; K219-V223 WeakPolarHBondContact O-CG2 3.41Å; K219-V223 PolarHBondContact O-N 2.87Å |
| 220 | N | 66.3 | Low | 64.3 | Low | 104 Ų | 104 | 121.9 Ų | 121.9 | 56% | 0.556 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -68.6 | -39.1 | 178.1 | -67.5 | -21.4 | 0 | 0 | 0 | 112.4 | D216 L217 K222 V223 E224 | D216-N220 VanDerWaalsContact O-CG 3.23Å; D216-N220 PolarHBondContact O-N 3.34Å; D216-N220 PolarHBondContact O-ND2 3.34Å; L217-N220 PolarHBondContact O-N 3.3Å; N220-K222 VanDerWaalsContact C-N 3.33Å; N220-K222 PolarHBondContact O-N 3.49Å; N220-V223 PolarHBondContact O-N 3.33Å; N220-V223 VanDerWaalsContact O-N 3.15Å; N220-E224 PolarHBondContact O-N 2.86Å |
| 221 | Y | 66.7 | Low | 61.8 | Low | 155 Ų | 155 | 126.6 Ų | 126.6 | 61% | 0.608 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.9 | -32.3 | 176.9 | -176.7 | -103.1 | 0 | 0 | 0 | 112.9 | L217 V223 E224 | L217-Y221 VanDerWaalsContact O-CB 3.3Å; L217-Y221 WeakPolarHBondContact O-CB 3.43Å; L217-Y221 PolarHBondContact O-N 3.48Å; Y221-V223 VanDerWaalsContact C-N 3.29Å; Y221-V223 PolarHBondContact O-N 2.84Å; Y221-E224 PolarHBondContact O-N 2.95Å |
| 222 | K | 61.3 | Low | 59 | Low | 155 Ų | 155 | 129.7 Ų | 129.7 | 67% | 0.674 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -70.4 | -23.1 | 174 | -75.8 | 171.3 | -177.5 | 169.8 | 0 | 113.2 | E218 K219 N220 | E218-K222 WeakPolarHBondContact O-CG 3.3Å; E218-K222 PolarHBondContact O-N 3.12Å; E218-K222 VanDerWaalsContact O-N 3.17Å; K219-K222 PolarHBondContact O-N 3.4Å; N220-K222 VanDerWaalsContact C-N 3.33Å; N220-K222 PolarHBondContact O-N 3.49Å |
| 223 | V | 58.7 | Low | 56.1 | Low | 113 Ų | 113 | 136 Ų | 136 | 69% | 0.685 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -81.1 | -28.9 | 176.7 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | K219 N220 Y221 T226 | K219-V223 WeakPolarHBondContact O-CG2 3.41Å; K219-V223 PolarHBondContact O-N 2.87Å; N220-V223 PolarHBondContact O-N 3.33Å; N220-V223 VanDerWaalsContact O-N 3.15Å; Y221-V223 VanDerWaalsContact C-N 3.29Å; Y221-V223 PolarHBondContact O-N 2.84Å; V223-T226 PolarHBondContact O-OG1 2.75Å |
| 224 | E | 53.6 | Low | 53.8 | Low | 161 Ų | 161 | 133.1 Ų | 133.1 | 75% | 0.752 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -87.7 | -10.1 | -174 | -151.3 | 167 | -166.9 | 0 | 0 | 114.7 | N220 Y221 T226 | N220-E224 PolarHBondContact O-N 2.86Å; Y221-E224 PolarHBondContact O-N 2.95Å; E224-T226 VanDerWaalsContact C-N 3.32Å; E224-T226 PolarHBondContact O-N 3.08Å |
| 225 | K | 48.5 | Very low | 51.2 | Low | 166 Ų | 166 | 138.5 Ų | 138.5 | 72% | 0.722 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | 16.7 | 177.9 | -161.8 | 169 | 177.6 | 175.6 | 0 | 114.4 | ||
| 226 | T | 44.9 | Very low | 48.7 | Very low | 120 Ų | 120 | 141.5 Ų | 141.5 | 74% | 0.736 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -116.8 | 39.9 | 179.7 | -0.3 | 0 | 0 | 0 | 0 | 112.4 | V223 E224 | V223-T226 PolarHBondContact O-OG1 2.75Å; E224-T226 VanDerWaalsContact C-N 3.32Å; E224-T226 PolarHBondContact O-N 3.08Å |
| 227 | M | 38.2 | Very low | 46.4 | Very low | 150 Ų | 150 | 144.6 Ų | 144.6 | 74% | 0.739 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -145.5 | 116.4 | 176 | -129.5 | -176.7 | 166.2 | 0 | 0 | 112.4 | ||
| 228 | K | 39.2 | Very low | 45.1 | Very low | 188 Ų | 188 | 144.3 Ų | 144.3 | 82% | 0.817 | 73% | 0.725 | S | S | * | * | trans | 86 | 102.1 | 156.9 | -65.1 | 173.4 | 178.5 | 175.4 | 0 | 119.3 | ||||
| 229 | T | 29.9 | Very low | 43 | Very low | 123 Ų | 123 | 142.6 Ų | 142.6 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | trans | -104.3 | 137.4 | 154.8 | -60.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 230 | T | 29.8 | Very low | 41.2 | Very low | 135 Ų | 135 | 144 Ų | 144 | 83% | 0.828 | 74% | 0.735 | S | S | * | * | trans | 177.4 | 102.8 | 148.7 | 23.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 231 | Q | 27.7 | Very low | 39.8 | Very low | 170 Ų | 170 | 147.2 Ų | 147.2 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | 67.6 | 151.7 | 77.1 | -84 | -164.2 | 14.2 | 0 | 0 | 117.3 | |||||
| 232 | T | 26.4 | Very low | 38.7 | Very low | 130 Ų | 130 | 148.7 Ų | 148.7 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | trans | 86.6 | 104.9 | 174.1 | 50.4 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 233 | E | 26.3 | Very low | 38 | Very low | 182 Ų | 182 | 144.5 Ų | 144.5 | 85% | 0.85 | 74% | 0.741 | S | S | * | * | 70.8 | 104.3 | 54.4 | -73.1 | -167.5 | 172.2 | 0 | 0 | 116 | |||||
| 234 | V | 38.9 | Very low | 37.5 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | trans | 40.5 | 130.7 | 130.9 | -169.9 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 235 | K | 27.8 | Very low | 37.4 | Very low | 209 Ų | 209 | 138.2 Ų | 138.2 | 91% | 0.909 | 73% | 0.728 | S | S | * | * | trans | -164.8 | 118.3 | 137.4 | -105 | 157.2 | -170.3 | -174.9 | 0 | 112.9 | ||||
| 236 | E | 31.7 | Very low | 38 | Very low | 168 Ų | 168 | 133.2 Ų | 133.2 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | trans | -71.4 | 157.9 | 160.1 | -58.4 | 173.2 | 141.4 | 0 | 0 | 110 | ||||
| 237 | D | 31.7 | Very low | 38.9 | Very low | 153 Ų | 153 | 131.5 Ų | 131.5 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | trans | 179.9 | 170.5 | 130.8 | -112.4 | -20.1 | 0 | 0 | 0 | 113.8 | ||||
| 238 | P | 49 | Very low | 40.3 | Very low | 98 Ų | 98 | 128.8 Ų | 128.8 | 64% | 0.636 | 69% | 0.689 | S | S | * | * | -127.7 | -166.6 | -121.9 | 41 | -20.5 | 0 | 0 | 0 | 112.9 | |||||
| 239 | A | 32.6 | Very low | 41.9 | Very low | 68 Ų | 68 | 124.2 Ų | 124.2 | 56% | 0.562 | 67% | 0.671 | S | S | * | * | trans | 173.5 | 100.1 | 159.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | K243 | A239-K243 VanDerWaalsContact C-NZ 3.29Å; A239-K243 WeakPolarHBondContact O-CD 3.24Å; A239-K243 WeakPolarHBondContact O-CE 3.17Å; A239-K243 PolarHBondContact O-NZ 3.39Å | ||
| 240 | K | 35.9 | Very low | 44.2 | Very low | 156 Ų | 156 | 122.3 Ų | 122.3 | 68% | 0.678 | 66% | 0.656 | S | S | * | * | trans | -59.4 | 158 | 174.8 | -60.7 | 166 | 179.5 | 178.5 | 0 | 109.5 | ||||
| 241 | E | 37.3 | Very low | 46.6 | Very low | 171 Ų | 171 | 120.5 Ų | 120.5 | 80% | 0.799 | 64% | 0.641 | S | S | * | * | S | Bend | cis | -177 | 29.7 | 46.4 | -146.3 | 155.4 | -152.6 | 0 | 0 | 110.1 | ||
| 242 | E | 43.6 | Very low | 49 | Very low | 185 Ų | 185 | 117.4 Ų | 117.4 | 86% | 0.864 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -91.3 | 16.9 | 139.6 | -157.8 | 171.6 | -173.1 | 0 | 0 | 108.7 | ||
| 243 | K | 45.5 | Very low | 51.7 | Low | 68 Ų | 68 | 113.4 Ų | 113.4 | 30% | 0.296 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -92.8 | -21.3 | -170.4 | -105.8 | -168.8 | -164.8 | 168 | 0 | 113.3 | A239 A245 S246 E247 | A239-K243 VanDerWaalsContact C-NZ 3.29Å; A239-K243 WeakPolarHBondContact O-CD 3.24Å; A239-K243 WeakPolarHBondContact O-CE 3.17Å; A239-K243 PolarHBondContact O-NZ 3.39Å; K243-A245 VanDerWaalsContact C-N 3.31Å; K243-A245 PolarHBondContact O-N 2.95Å; K243-S246 WeakPolarHBondContact CA-OG 3.38Å; K243-S246 CarbonylContact O-C 3.6Å; K243-S246 PolarHBondContact O-N 2.96Å; K243-S246 PolarHBondContact O-OG 2.92Å; K243-E247 HydrophobicContact CB-CG 4.18Å; K243-E247 WeakPolarHBondContact CB-OE1 3.36Å; K243-E247 WeakPolarHBondContact CD-OE1 3.5Å; K243-E247 HydrophobicContact CG-CG 4.34Å; K243-E247 VanDerWaalsContact O-CA 3.29Å; K243-E247 WeakPolarHBondContact O-CA 3.47Å; K243-E247 WeakPolarHBondContact O-CB 3.33Å; K243-E247 WeakPolarHBondContact O-CG 3.46Å; K243-E247 PolarHBondContact O-N 3.37Å |
| 244 | A | 48.3 | Very low | 54.6 | Low | 66 Ų | 66 | 109.2 Ų | 109.2 | 55% | 0.545 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -65.2 | -37.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | V248 | A244-V248 WeakPolarHBondContact O-CB 3.48Å; A244-V248 WeakPolarHBondContact O-CG2 3.5Å; A244-V248 PolarHBondContact O-N 2.98Å |
| 245 | A | 53.2 | Low | 56.8 | Low | 75 Ų | 75 | 108 Ų | 108 | 62% | 0.62 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -76.2 | -39.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K243 E249 | K243-A245 VanDerWaalsContact C-N 3.31Å; K243-A245 PolarHBondContact O-N 2.95Å; A245-E249 VanDerWaalsContact O-CB 3.25Å; A245-E249 WeakPolarHBondContact O-CB 3.43Å; A245-E249 PolarHBondContact O-N 3.01Å |
| 246 | S | 59.7 | Low | 59.5 | Low | 61 Ų | 61 | 103.9 Ų | 103.9 | 43% | 0.427 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -75.5 | -26.4 | 176.2 | 78.3 | 0 | 0 | 0 | 0 | 113.3 | K243 N250 | K243-S246 WeakPolarHBondContact CA-OG 3.38Å; K243-S246 CarbonylContact O-C 3.6Å; K243-S246 PolarHBondContact O-N 2.96Å; K243-S246 PolarHBondContact O-OG 2.92Å; S246-N250 WeakPolarHBondContact O-CA 3.4Å; S246-N250 WeakPolarHBondContact O-CB 3.31Å; S246-N250 PolarHBondContact O-N 2.94Å |
| 247 | E | 63.6 | Low | 62.2 | Low | 84 Ų | 84 | 98.3 Ų | 98.3 | 39% | 0.393 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -77.9 | -39.3 | 172.1 | -73.4 | 166.9 | -173.5 | 0 | 0 | 109.4 | K243 N250 L251 | K243-E247 HydrophobicContact CB-CG 4.18Å; K243-E247 WeakPolarHBondContact CB-OE1 3.36Å; K243-E247 WeakPolarHBondContact CD-OE1 3.5Å; K243-E247 HydrophobicContact CG-CG 4.34Å; K243-E247 VanDerWaalsContact O-CA 3.29Å; K243-E247 WeakPolarHBondContact O-CA 3.47Å; K243-E247 WeakPolarHBondContact O-CB 3.33Å; K243-E247 WeakPolarHBondContact O-CG 3.46Å; K243-E247 PolarHBondContact O-N 3.37Å; E247-N250 PolarHBondContact O-N 3.49Å; E247-L251 WeakPolarHBondContact O-CA 3.39Å; E247-L251 WeakPolarHBondContact O-CB 3.47Å; E247-L251 WeakPolarHBondContact O-CD1 3.35Å; E247-L251 WeakPolarHBondContact O-CG 3.26Å; E247-L251 PolarHBondContact O-N 3.34Å |
| 248 | V | 67.6 | Low | 64.9 | Low | 93 Ų | 93 | 96.4 Ų | 96.4 | 56% | 0.564 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.1 | -40.6 | 169.7 | 168.8 | 0 | 0 | 0 | 0 | 110.6 | A244 K252 | A244-V248 WeakPolarHBondContact O-CB 3.48Å; A244-V248 WeakPolarHBondContact O-CG2 3.5Å; A244-V248 PolarHBondContact O-N 2.98Å; V248-K252 WeakPolarHBondContact O-CB 3.36Å; V248-K252 PolarHBondContact O-N 3.12Å |
| 249 | E | 74.6 | Confident | 66.9 | Low | 92 Ų | 92 | 97.8 Ų | 97.8 | 43% | 0.43 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -72.8 | -34.7 | 175.8 | -165.4 | 59.9 | -144.3 | 0 | 0 | 112 | A245 K252 S253 R256 | A245-E249 VanDerWaalsContact O-CB 3.25Å; A245-E249 WeakPolarHBondContact O-CB 3.43Å; A245-E249 PolarHBondContact O-N 3.01Å; E249-K252 CarbonylContact O-C 3.58Å; E249-K252 PolarHBondContact O-N 3.31Å; E249-K252 IonicContact OE2-NZ 3.5Å; E249-S253 WeakPolarHBondContact O-CB 3.41Å; E249-S253 PolarHBondContact O-N 2.85Å; E249-R256 IonicContact OE1-NH2 2.82Å; E249-R256 PolarHBondContact OE1-NH2 3.07Å |
| 250 | N | 76.7 | Confident | 69.7 | Low | 83 Ų | 83 | 102 Ų | 102 | 44% | 0.444 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.6 | -45 | 172.5 | -173.4 | 7.3 | 0 | 0 | 0 | 110.8 | S246 E247 K252 S253 Q254 | S246-N250 WeakPolarHBondContact O-CA 3.4Å; S246-N250 WeakPolarHBondContact O-CB 3.31Å; S246-N250 PolarHBondContact O-N 2.94Å; E247-N250 PolarHBondContact O-N 3.49Å; N250-K252 VanDerWaalsContact C-N 3.31Å; N250-K252 PolarHBondContact O-N 3.1Å; N250-S253 WeakPolarHBondContact CA-OG 3.37Å; N250-S253 CarbonylContact O-C 3.49Å; N250-S253 WeakPolarHBondContact O-CA 3.35Å; N250-S253 WeakPolarHBondContact O-CB 3.3Å; N250-S253 PolarHBondContact O-N 3.42Å; N250-S253 VanDerWaalsContact O-N 3.1Å; N250-S253 PolarHBondContact O-OG 3.24Å; N250-Q254 WeakPolarHBondContact O-CB 3.36Å; N250-Q254 WeakPolarHBondContact O-CG 3.23Å; N250-Q254 PolarHBondContact O-N 2.99Å; N250-Q254 PolarHBondContact OD1-NE2 3.29Å |
| 251 | L | 80.8 | Confident | 72.4 | Confident | 98 Ų | 98 | 98.4 Ų | 98.4 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 171.2 | -76 | 165.3 | 0 | 0 | 0 | 110.7 | E247 S253 Q254 V255 | E247-L251 WeakPolarHBondContact O-CA 3.39Å; E247-L251 WeakPolarHBondContact O-CB 3.47Å; E247-L251 WeakPolarHBondContact O-CD1 3.35Å; E247-L251 WeakPolarHBondContact O-CG 3.26Å; E247-L251 PolarHBondContact O-N 3.34Å; L251-S253 VanDerWaalsContact C-N 3.33Å; L251-Q254 CarbonylContact O-C 3.56Å; L251-Q254 PolarHBondContact O-N 3.46Å; L251-V255 VanDerWaalsContact O-CB 3.31Å; L251-V255 WeakPolarHBondContact O-CB 3.22Å; L251-V255 WeakPolarHBondContact O-CG2 3.3Å; L251-V255 PolarHBondContact O-N 2.85Å |
| 252 | K | 78.4 | Confident | 75.1 | Confident | 104 Ų | 104 | 96 Ų | 96 | 45% | 0.452 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.6 | -32.1 | 174.6 | -170.3 | -178 | 176.9 | -172 | 0 | 111.9 | V248 E249 N250 R256 | V248-K252 WeakPolarHBondContact O-CB 3.36Å; V248-K252 PolarHBondContact O-N 3.12Å; E249-K252 CarbonylContact O-C 3.58Å; E249-K252 PolarHBondContact O-N 3.31Å; E249-K252 IonicContact OE2-NZ 3.5Å; N250-K252 VanDerWaalsContact C-N 3.31Å; N250-K252 PolarHBondContact O-N 3.1Å; K252-R256 VanDerWaalsContact CE-NH2 3.35Å; K252-R256 VanDerWaalsContact O-CB 3.31Å; K252-R256 WeakPolarHBondContact O-CB 3.43Å; K252-R256 VanDerWaalsContact O-CG 3.24Å; K252-R256 WeakPolarHBondContact O-CG 3.45Å; K252-R256 PolarHBondContact O-N 3.47Å; K252-R256 PolarHBondContact O-NE 2.89Å |
| 253 | S | 83.1 | Confident | 77.4 | Confident | 47 Ų | 47 | 93.1 Ų | 93.1 | 33% | 0.329 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -73.1 | -36.9 | 172.1 | 83.6 | 0 | 0 | 0 | 0 | 111.9 | E249 N250 L251 R256 T257 | E249-S253 WeakPolarHBondContact O-CB 3.41Å; E249-S253 PolarHBondContact O-N 2.85Å; N250-S253 WeakPolarHBondContact CA-OG 3.37Å; N250-S253 CarbonylContact O-C 3.49Å; N250-S253 WeakPolarHBondContact O-CA 3.35Å; N250-S253 WeakPolarHBondContact O-CB 3.3Å; N250-S253 PolarHBondContact O-N 3.42Å; N250-S253 VanDerWaalsContact O-N 3.1Å; N250-S253 PolarHBondContact O-OG 3.24Å; L251-S253 VanDerWaalsContact C-N 3.33Å; S253-R256 PolarHBondContact O-N 3.21Å; S253-T257 WeakPolarHBondContact O-CB 3.41Å; S253-T257 PolarHBondContact O-N 2.87Å; S253-T257 PolarHBondContact O-OG1 2.92Å |
| 254 | Q | 86.4 | Confident | 79.7 | Confident | 94 Ų | 94 | 94.8 Ų | 94.8 | 44% | 0.439 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.3 | -46.2 | 173.3 | -77.1 | 177 | 11.9 | 0 | 0 | 110.1 | N250 L251 R256 T257 L258 | N250-Q254 WeakPolarHBondContact O-CB 3.36Å; N250-Q254 WeakPolarHBondContact O-CG 3.23Å; N250-Q254 PolarHBondContact O-N 2.99Å; N250-Q254 PolarHBondContact OD1-NE2 3.29Å; L251-Q254 CarbonylContact O-C 3.56Å; L251-Q254 PolarHBondContact O-N 3.46Å; Q254-R256 VanDerWaalsContact C-N 3.32Å; Q254-R256 PolarHBondContact O-N 2.94Å; Q254-T257 CarbonylContact O-C 3.59Å; Q254-T257 PolarHBondContact O-N 3.29Å; Q254-T257 VanDerWaalsContact O-N 3.09Å; Q254-L258 VanDerWaalsContact O-CB 3.29Å; Q254-L258 WeakPolarHBondContact O-CB 3.39Å; Q254-L258 VanDerWaalsContact O-CG 3.25Å; Q254-L258 WeakPolarHBondContact O-CG 3.44Å; Q254-L258 PolarHBondContact O-N 3.32Å |
| 255 | V | 84.9 | Confident | 81.8 | Confident | 94 Ų | 94 | 94.4 Ų | 94.4 | 57% | 0.57 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.9 | -42.5 | 173.5 | 168.7 | 0 | 0 | 0 | 0 | 110.4 | L251 T257 F259 | L251-V255 VanDerWaalsContact O-CB 3.31Å; L251-V255 WeakPolarHBondContact O-CB 3.22Å; L251-V255 WeakPolarHBondContact O-CG2 3.3Å; L251-V255 PolarHBondContact O-N 2.85Å; V255-T257 VanDerWaalsContact C-N 3.34Å; V255-T257 PolarHBondContact O-N 2.86Å; V255-F259 WeakPolarHBondContact O-CB 3.21Å; V255-F259 PolarHBondContact O-N 3.17Å |
| 256 | R | 85.5 | Confident | 83.7 | Confident | 124 Ų | 124 | 95.4 Ų | 95.4 | 47% | 0.468 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.2 | -32.1 | 174 | -79 | -174.4 | -95.8 | -158.2 | 3.6 | 113.4 | E249 K252 S253 Q254 R260 | E249-R256 IonicContact OE1-NH2 2.82Å; E249-R256 PolarHBondContact OE1-NH2 3.07Å; K252-R256 VanDerWaalsContact CE-NH2 3.35Å; K252-R256 VanDerWaalsContact O-CB 3.31Å; K252-R256 WeakPolarHBondContact O-CB 3.43Å; K252-R256 VanDerWaalsContact O-CG 3.24Å; K252-R256 WeakPolarHBondContact O-CG 3.45Å; K252-R256 PolarHBondContact O-N 3.47Å; K252-R256 PolarHBondContact O-NE 2.89Å; S253-R256 PolarHBondContact O-N 3.21Å; Q254-R256 VanDerWaalsContact C-N 3.32Å; Q254-R256 PolarHBondContact O-N 2.94Å; R256-R260 WeakPolarHBondContact O-CG 3.4Å; R256-R260 PolarHBondContact O-N 3.3Å; R256-R260 VanDerWaalsContact O-N 3.11Å |
| 257 | T | 87.1 | Confident | 85.3 | Confident | 51 Ų | 51 | 95.2 Ų | 95.2 | 31% | 0.313 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -78 | -47.6 | 178.7 | -54.5 | 0 | 0 | 0 | 0 | 110.6 | S253 Q254 V255 F259 R260 D261 | S253-T257 WeakPolarHBondContact O-CB 3.41Å; S253-T257 PolarHBondContact O-N 2.87Å; S253-T257 PolarHBondContact O-OG1 2.92Å; Q254-T257 CarbonylContact O-C 3.59Å; Q254-T257 PolarHBondContact O-N 3.29Å; Q254-T257 VanDerWaalsContact O-N 3.09Å; V255-T257 VanDerWaalsContact C-N 3.34Å; V255-T257 PolarHBondContact O-N 2.86Å; T257-F259 PolarHBondContact O-N 3.2Å; T257-R260 CarbonylContact O-C 3.52Å; T257-R260 WeakPolarHBondContact O-CA 3.31Å; T257-R260 WeakPolarHBondContact O-CB 3.45Å; T257-R260 PolarHBondContact O-N 2.96Å; T257-R260 PolarHBondContact OG1-NH2 3.08Å; T257-D261 WeakPolarHBondContact O-CB 3.18Å; T257-D261 PolarHBondContact O-N 2.89Å |
| 258 | L | 89.4 | Confident | 86.9 | Confident | 112 Ų | 112 | 96.8 Ų | 96.8 | 59% | 0.586 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -55.8 | -38.3 | 169.5 | -70.5 | 171.8 | 0 | 0 | 0 | 112 | Q254 D261 L262 | Q254-L258 VanDerWaalsContact O-CB 3.29Å; Q254-L258 WeakPolarHBondContact O-CB 3.39Å; Q254-L258 VanDerWaalsContact O-CG 3.25Å; Q254-L258 WeakPolarHBondContact O-CG 3.44Å; Q254-L258 PolarHBondContact O-N 3.32Å; L258-D261 PolarHBondContact O-N 3.45Å; L258-L262 VanDerWaalsContact O-CB 3.22Å; L258-L262 WeakPolarHBondContact O-CB 3.34Å; L258-L262 PolarHBondContact O-N 2.86Å |
| 259 | F | 90.4 | Very high | 88.2 | Confident | 128 Ų | 128 | 96.3 Ų | 96.3 | 56% | 0.561 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66.8 | -42.3 | 175.1 | -168.8 | -91.1 | 0 | 0 | 0 | 111.9 | V255 T257 L262 Q263 | V255-F259 WeakPolarHBondContact O-CB 3.21Å; V255-F259 PolarHBondContact O-N 3.17Å; T257-F259 PolarHBondContact O-N 3.2Å; F259-L262 PolarHBondContact O-N 2.92Å; F259-Q263 VanDerWaalsContact O-CB 3.29Å; F259-Q263 WeakPolarHBondContact O-CB 3.25Å; F259-Q263 PolarHBondContact O-N 3.47Å |
| 260 | R | 92.8 | Very high | 89.1 | Confident | 157 Ų | 157 | 95.8 Ų | 95.8 | 59% | 0.592 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.8 | -40.3 | 172.6 | -78.4 | -174.9 | -66 | 176.7 | 2.5 | 111.9 | R256 T257 Q263 Q264 | R256-R260 WeakPolarHBondContact O-CG 3.4Å; R256-R260 PolarHBondContact O-N 3.3Å; R256-R260 VanDerWaalsContact O-N 3.11Å; T257-R260 CarbonylContact O-C 3.52Å; T257-R260 WeakPolarHBondContact O-CA 3.31Å; T257-R260 WeakPolarHBondContact O-CB 3.45Å; T257-R260 PolarHBondContact O-N 2.96Å; T257-R260 PolarHBondContact OG1-NH2 3.08Å; R260-Q263 PolarHBondContact O-N 2.92Å; R260-Q264 WeakPolarHBondContact O-CB 3.43Å; R260-Q264 PolarHBondContact O-N 2.91Å |
| 261 | D | 91.3 | Very high | 90 | Very high | 80 Ų | 80 | 97.2 Ų | 97.2 | 43% | 0.428 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.6 | -40.1 | 178.9 | -64.6 | -17.3 | 0 | 0 | 0 | 111.1 | T257 L258 Q264 A265 | T257-D261 WeakPolarHBondContact O-CB 3.18Å; T257-D261 PolarHBondContact O-N 2.89Å; L258-D261 PolarHBondContact O-N 3.45Å; D261-Q264 PolarHBondContact O-N 3.43Å; D261-A265 VanDerWaalsContact O-CB 3.29Å; D261-A265 WeakPolarHBondContact O-CB 3.25Å; D261-A265 PolarHBondContact O-N 3.49Å |
| 262 | L | 93.3 | Very high | 90.7 | Very high | 120 Ų | 120 | 94.7 Ų | 94.7 | 63% | 0.628 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.6 | -45.1 | 172.3 | -169.6 | 90.7 | 0 | 0 | 0 | 110.7 | L258 F259 Q264 A265 Q266 | L258-L262 VanDerWaalsContact O-CB 3.22Å; L258-L262 WeakPolarHBondContact O-CB 3.34Å; L258-L262 PolarHBondContact O-N 2.86Å; F259-L262 PolarHBondContact O-N 2.92Å; L262-Q264 VanDerWaalsContact C-N 3.33Å; L262-Q264 PolarHBondContact O-N 2.92Å; L262-A265 PolarHBondContact O-N 2.91Å; L262-Q266 WeakPolarHBondContact O-CB 3.4Å; L262-Q266 PolarHBondContact O-N 3.38Å |
| 263 | Q | 93.4 | Very high | 91.4 | Very high | 124 Ų | 124 | 95 Ų | 95 | 58% | 0.579 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.3 | -38.7 | 176.8 | -169.7 | 173 | 22.9 | 0 | 0 | 111.6 | F259 R260 Q266 S267 | F259-Q263 VanDerWaalsContact O-CB 3.29Å; F259-Q263 WeakPolarHBondContact O-CB 3.25Å; F259-Q263 PolarHBondContact O-N 3.47Å; R260-Q263 PolarHBondContact O-N 2.92Å; Q263-Q266 PolarHBondContact O-N 3.07Å; Q263-S267 PolarHBondContact O-N 3.2Å |
| 264 | Q | 94 | Very high | 92.1 | Very high | 104 Ų | 104 | 94.8 Ų | 94.8 | 49% | 0.486 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.1 | -39.9 | 174.6 | -170.1 | -177.2 | 18.7 | 0 | 0 | 111.7 | R260 D261 L262 Q266 S267 K268 | R260-Q264 WeakPolarHBondContact O-CB 3.43Å; R260-Q264 PolarHBondContact O-N 2.91Å; D261-Q264 PolarHBondContact O-N 3.43Å; L262-Q264 VanDerWaalsContact C-N 3.33Å; L262-Q264 PolarHBondContact O-N 2.92Å; Q264-Q266 VanDerWaalsContact C-N 3.34Å; Q264-S267 PolarHBondContact O-N 3.46Å; Q264-K268 WeakPolarHBondContact O-CB 3.4Å; Q264-K268 VanDerWaalsContact O-CG 3.32Å; Q264-K268 WeakPolarHBondContact O-CG 3.45Å; Q264-K268 PolarHBondContact O-N 3.37Å |
| 265 | A | 91.4 | Very high | 92.5 | Very high | 57 Ų | 57 | 95.9 Ų | 95.9 | 47% | 0.471 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.1 | -38.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D261 L262 K268 L269 | D261-A265 VanDerWaalsContact O-CB 3.29Å; D261-A265 WeakPolarHBondContact O-CB 3.25Å; D261-A265 PolarHBondContact O-N 3.49Å; L262-A265 PolarHBondContact O-N 2.91Å; A265-K268 PolarHBondContact O-N 2.84Å; A265-L269 WeakPolarHBondContact O-CB 3.36Å; A265-L269 PolarHBondContact O-N 3.26Å |
| 266 | Q | 93.6 | Very high | 93 | Very high | 97 Ų | 97 | 97.9 Ų | 97.9 | 45% | 0.453 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.1 | -46.7 | 174 | -170.8 | 64.3 | 44.2 | 0 | 0 | 111.3 | L262 Q263 Q264 K268 L269 D270 | L262-Q266 WeakPolarHBondContact O-CB 3.4Å; L262-Q266 PolarHBondContact O-N 3.38Å; Q263-Q266 PolarHBondContact O-N 3.07Å; Q264-Q266 VanDerWaalsContact C-N 3.34Å; Q266-K268 VanDerWaalsContact C-N 3.3Å; Q266-K268 PolarHBondContact O-N 3.41Å; Q266-L269 WeakPolarHBondContact O-CB 3.39Å; Q266-L269 PolarHBondContact O-N 2.92Å; Q266-L269 VanDerWaalsContact O-N 3.1Å; Q266-D270 PolarHBondContact NE2-OD1 2.98Å; Q266-D270 PolarHBondContact O-N 3.49Å |
| 267 | S | 93.9 | Very high | 93.5 | Very high | 56 Ų | 56 | 98.5 Ų | 98.5 | 39% | 0.392 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -57.4 | -43.6 | 174.5 | -171.2 | 0 | 0 | 0 | 0 | 111.9 | Q263 Q264 L269 D270 E271 | Q263-S267 PolarHBondContact O-N 3.2Å; Q264-S267 PolarHBondContact O-N 3.46Å; S267-L269 VanDerWaalsContact C-N 3.34Å; S267-D270 PolarHBondContact O-N 3.45Å; S267-E271 WeakPolarHBondContact O-CB 3.27Å; S267-E271 VanDerWaalsContact O-CG 3.27Å; S267-E271 WeakPolarHBondContact O-CG 3.26Å; S267-E271 PolarHBondContact O-N 3.15Å; S267-E271 PolarHBondContact OG-OE1 2.92Å |
| 268 | K | 95.6 | Very high | 94 | Very high | 117 Ų | 117 | 100.9 Ų | 100.9 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.5 | -34.8 | 176.4 | -73.5 | 174.2 | -179.7 | 174.1 | 0 | 112.6 | Q264 A265 Q266 A272 | Q264-K268 WeakPolarHBondContact O-CB 3.4Å; Q264-K268 VanDerWaalsContact O-CG 3.32Å; Q264-K268 WeakPolarHBondContact O-CG 3.45Å; Q264-K268 PolarHBondContact O-N 3.37Å; A265-K268 PolarHBondContact O-N 2.84Å; Q266-K268 VanDerWaalsContact C-N 3.3Å; Q266-K268 PolarHBondContact O-N 3.41Å; K268-A272 VanDerWaalsContact O-CB 3.31Å; K268-A272 WeakPolarHBondContact O-CB 3.49Å; K268-A272 PolarHBondContact O-N 3.34Å |
| 269 | L | 95.1 | Very high | 94.3 | Very high | 83 Ų | 83 | 100.2 Ų | 100.2 | 44% | 0.435 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.2 | -47.7 | 174.1 | -179.7 | 64.9 | 0 | 0 | 0 | 110.3 | A265 Q266 S267 E271 A272 E273 | A265-L269 WeakPolarHBondContact O-CB 3.36Å; A265-L269 PolarHBondContact O-N 3.26Å; Q266-L269 WeakPolarHBondContact O-CB 3.39Å; Q266-L269 PolarHBondContact O-N 2.92Å; Q266-L269 VanDerWaalsContact O-N 3.1Å; S267-L269 VanDerWaalsContact C-N 3.34Å; L269-E271 VanDerWaalsContact C-N 3.32Å; L269-E271 PolarHBondContact O-N 3.12Å; L269-A272 CarbonylContact O-C 3.58Å; L269-A272 PolarHBondContact O-N 3.41Å; L269-A272 VanDerWaalsContact O-N 3.1Å; L269-E273 HydrophobicContact CD1-CG 4.43Å; L269-E273 HydrophobicContact CG-CG 4.5Å; L269-E273 WeakPolarHBondContact O-CB 3.4Å; L269-E273 WeakPolarHBondContact O-CG 3.36Å; L269-E273 PolarHBondContact O-N 3.15Å |
| 270 | D | 95.1 | Very high | 94.6 | Very high | 82 Ų | 82 | 98.7 Ų | 98.7 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 178.1 | -61.7 | -15.2 | 0 | 0 | 0 | 111 | Q266 S267 E273 G274 | Q266-D270 PolarHBondContact NE2-OD1 2.98Å; Q266-D270 PolarHBondContact O-N 3.49Å; S267-D270 PolarHBondContact O-N 3.45Å; D270-E273 PolarHBondContact O-N 2.89Å; D270-G274 PolarHBondContact O-N 2.99Å |
| 271 | E | 95.6 | Very high | 94.8 | Very high | 112 Ų | 112 | 94.5 Ų | 94.5 | 52% | 0.523 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 172 | -75.3 | 167.1 | -151.7 | 0 | 0 | 111.9 | S267 L269 G274 M275 | S267-E271 WeakPolarHBondContact O-CB 3.27Å; S267-E271 VanDerWaalsContact O-CG 3.27Å; S267-E271 WeakPolarHBondContact O-CG 3.26Å; S267-E271 PolarHBondContact O-N 3.15Å; S267-E271 PolarHBondContact OG-OE1 2.92Å; L269-E271 VanDerWaalsContact C-N 3.32Å; L269-E271 PolarHBondContact O-N 3.12Å; E271-G274 PolarHBondContact O-N 3.46Å; E271-M275 WeakPolarHBondContact O-CG 3.46Å; E271-M275 PolarHBondContact O-N 2.92Å |
| 272 | A | 94.3 | Very high | 95 | Very high | 46 Ų | 46 | 98.2 Ų | 98.2 | 38% | 0.38 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.2 | -37.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K268 L269 M275 K276 | K268-A272 VanDerWaalsContact O-CB 3.31Å; K268-A272 WeakPolarHBondContact O-CB 3.49Å; K268-A272 PolarHBondContact O-N 3.34Å; L269-A272 CarbonylContact O-C 3.58Å; L269-A272 PolarHBondContact O-N 3.41Å; L269-A272 VanDerWaalsContact O-N 3.1Å; A272-M275 HydrophobicContact CB-CE 4.47Å; A272-M275 PolarHBondContact O-N 3.02Å; A272-K276 VanDerWaalsContact O-CB 3.28Å; A272-K276 WeakPolarHBondContact O-CB 3.43Å; A272-K276 PolarHBondContact O-N 3.42Å |
| 273 | E | 94.2 | Very high | 95.1 | Very high | 110 Ų | 110 | 96 Ų | 96 | 51% | 0.514 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.6 | -40.5 | 172.9 | -73.8 | -173.6 | 170.2 | 0 | 0 | 111.4 | L269 D270 K276 K277 | L269-E273 HydrophobicContact CD1-CG 4.43Å; L269-E273 HydrophobicContact CG-CG 4.5Å; L269-E273 WeakPolarHBondContact O-CB 3.4Å; L269-E273 WeakPolarHBondContact O-CG 3.36Å; L269-E273 PolarHBondContact O-N 3.15Å; D270-E273 PolarHBondContact O-N 2.89Å; E273-K276 PolarHBondContact O-N 2.85Å; E273-K277 WeakPolarHBondContact O-CB 3.38Å; E273-K277 PolarHBondContact O-N 2.89Å |
| 274 | G | 96.9 | Very high | 95.3 | Very high | 42 Ų | 42 | 97.2 Ų | 97.2 | 43% | 0.433 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D270 E271 K277 N278 | D270-G274 PolarHBondContact O-N 2.99Å; E271-G274 PolarHBondContact O-N 3.46Å; G274-K277 PolarHBondContact O-N 2.86Å; G274-N278 PolarHBondContact O-N 3.46Å |
| 275 | M | 95.4 | Very high | 95.5 | Very high | 118 Ų | 118 | 97.9 Ų | 97.9 | 58% | 0.581 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.7 | -43.4 | 174.3 | -73.9 | -172.4 | -75.1 | 0 | 0 | 112 | E271 A272 K277 N278 L279 | E271-M275 WeakPolarHBondContact O-CG 3.46Å; E271-M275 PolarHBondContact O-N 2.92Å; A272-M275 HydrophobicContact CB-CE 4.47Å; A272-M275 PolarHBondContact O-N 3.02Å; M275-K277 VanDerWaalsContact C-N 3.34Å; M275-K277 PolarHBondContact O-N 3.41Å; M275-N278 PolarHBondContact O-N 3.39Å; M275-L279 WeakPolarHBondContact O-CB 3.45Å; M275-L279 WeakPolarHBondContact O-CG 3.35Å; M275-L279 PolarHBondContact O-N 3.32Å |
| 276 | K | 95.4 | Very high | 95.7 | Very high | 136 Ų | 136 | 99 Ų | 99 | 59% | 0.591 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.8 | -44.1 | 176.1 | 177.3 | -174 | 172.6 | -173.7 | 0 | 111.4 | A272 E273 L279 Q280 | A272-K276 VanDerWaalsContact O-CB 3.28Å; A272-K276 WeakPolarHBondContact O-CB 3.43Å; A272-K276 PolarHBondContact O-N 3.42Å; E273-K276 PolarHBondContact O-N 2.85Å; K276-L279 PolarHBondContact O-N 3.38Å; K276-Q280 WeakPolarHBondContact O-CB 3.42Å; K276-Q280 PolarHBondContact O-N 3.16Å |
| 277 | K | 96.4 | Very high | 95.8 | Very high | 136 Ų | 136 | 100.8 Ų | 100.8 | 59% | 0.591 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.9 | -46.2 | 177.7 | -172.7 | 179.1 | 178.1 | -178.3 | 0 | 111.2 | E273 G274 M275 L279 Q280 D281 | E273-K277 WeakPolarHBondContact O-CB 3.38Å; E273-K277 PolarHBondContact O-N 2.89Å; G274-K277 PolarHBondContact O-N 2.86Å; M275-K277 VanDerWaalsContact C-N 3.34Å; M275-K277 PolarHBondContact O-N 3.41Å; K277-L279 PolarHBondContact O-N 2.88Å; K277-Q280 WeakPolarHBondContact O-CB 3.05Å; K277-Q280 PolarHBondContact O-N 3.07Å; K277-D281 PolarHBondContact O-N 3.43Å |
| 278 | N | 96.8 | Very high | 96 | Very high | 102 Ų | 102 | 104.5 Ų | 104.5 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.5 | -46 | 176.2 | -171.3 | -67.8 | 0 | 0 | 0 | 111.7 | G274 M275 Q280 D281 R282 | G274-N278 PolarHBondContact O-N 3.46Å; M275-N278 PolarHBondContact O-N 3.39Å; N278-Q280 VanDerWaalsContact C-N 3.34Å; N278-Q280 PolarHBondContact O-N 2.81Å; N278-D281 PolarHBondContact O-N 3.28Å; N278-R282 WeakPolarHBondContact O-CB 3.42Å; N278-R282 PolarHBondContact O-N 3.29Å |
| 279 | L | 96.4 | Very high | 96.1 | Very high | 98 Ų | 98 | 102.8 Ų | 102.8 | 51% | 0.513 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 175.5 | -72.7 | 172.5 | 0 | 0 | 0 | 112 | M275 K276 K277 R282 C283 | M275-L279 WeakPolarHBondContact O-CB 3.45Å; M275-L279 WeakPolarHBondContact O-CG 3.35Å; M275-L279 PolarHBondContact O-N 3.32Å; K276-L279 PolarHBondContact O-N 3.38Å; K277-L279 PolarHBondContact O-N 2.88Å; L279-R282 PolarHBondContact O-N 2.73Å; L279-C283 WeakPolarHBondContact O-CB 3.07Å; L279-C283 PolarHBondContact O-N 2.91Å; L279-C283 PolarHBondContact O-SG 3.46Å |
| 280 | Q | 96.1 | Very high | 96.1 | Very high | 95 Ų | 95 | 101.9 Ų | 101.9 | 44% | 0.444 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 174.5 | -87.3 | -174.6 | -31.3 | 0 | 0 | 112.5 | K276 K277 N278 R282 C283 R284 | K276-Q280 WeakPolarHBondContact O-CB 3.42Å; K276-Q280 PolarHBondContact O-N 3.16Å; K277-Q280 WeakPolarHBondContact O-CB 3.05Å; K277-Q280 PolarHBondContact O-N 3.07Å; N278-Q280 VanDerWaalsContact C-N 3.34Å; N278-Q280 PolarHBondContact O-N 2.81Å; Q280-R282 VanDerWaalsContact C-N 3.31Å; Q280-R282 PolarHBondContact O-N 2.86Å; Q280-C283 PolarHBondContact O-N 2.85Å; Q280-R284 WeakPolarHBondContact O-CG 3.41Å; Q280-R284 PolarHBondContact O-N 2.88Å |
| 281 | D | 96.4 | Very high | 96.2 | Very high | 70 Ų | 70 | 100.7 Ų | 100.7 | 37% | 0.374 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 178.5 | -68.3 | -26.4 | 0 | 0 | 0 | 110.6 | K277 N278 R284 E285 | K277-D281 PolarHBondContact O-N 3.43Å; N278-D281 PolarHBondContact O-N 3.28Å; D281-R284 WeakPolarHBondContact O-CB 3.41Å; D281-R284 PolarHBondContact O-N 3.45Å; D281-R284 IonicContact OD1-NH1 2.71Å; D281-R284 PolarHBondContact OD1-NH1 2.83Å; D281-R284 VanDerWaalsContact OD1-NH1 3.12Å; D281-E285 PolarHBondContact O-N 2.8Å |
| 282 | R | 96.9 | Very high | 96.3 | Very high | 157 Ų | 157 | 98.4 Ų | 98.4 | 59% | 0.592 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.3 | -37.3 | 174.6 | -146.5 | 168.4 | 83.7 | 161.1 | 6.8 | 112.8 | N278 L279 Q280 E285 V286 | N278-R282 WeakPolarHBondContact O-CB 3.42Å; N278-R282 PolarHBondContact O-N 3.29Å; L279-R282 PolarHBondContact O-N 2.73Å; Q280-R282 VanDerWaalsContact C-N 3.31Å; Q280-R282 PolarHBondContact O-N 2.86Å; R282-E285 PolarHBondContact O-N 3.2Å; R282-V286 WeakPolarHBondContact O-CG2 3.48Å; R282-V286 PolarHBondContact O-N 3.42Å |
| 283 | C | 95 | Very high | 96.4 | Very high | 74 Ų | 74 | 101.3 Ų | 101.3 | 50% | 0.5 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.9 | -43 | 171.7 | -73.9 | 0 | 0 | 0 | 0 | 111.3 | L279 Q280 V286 E287 | L279-C283 WeakPolarHBondContact O-CB 3.07Å; L279-C283 PolarHBondContact O-N 2.91Å; L279-C283 PolarHBondContact O-SG 3.46Å; Q280-C283 PolarHBondContact O-N 2.85Å; C283-V286 PolarHBondContact O-N 3.28Å; C283-E287 WeakPolarHBondContact O-CB 3.45Å; C283-E287 VanDerWaalsContact O-CG 3.27Å; C283-E287 WeakPolarHBondContact O-CG 3.44Å; C283-E287 PolarHBondContact O-N 3.49Å |
| 284 | R | 97.1 | Very high | 96.5 | Very high | 149 Ų | 149 | 102.4 Ų | 102.4 | 56% | 0.562 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.7 | -41.7 | 176.2 | -74.1 | 175.7 | -179 | 150 | -3.7 | 112.4 | Q280 D281 E287 Q288 | Q280-R284 WeakPolarHBondContact O-CG 3.41Å; Q280-R284 PolarHBondContact O-N 2.88Å; D281-R284 WeakPolarHBondContact O-CB 3.41Å; D281-R284 PolarHBondContact O-N 3.45Å; D281-R284 IonicContact OD1-NH1 2.71Å; D281-R284 PolarHBondContact OD1-NH1 2.83Å; D281-R284 VanDerWaalsContact OD1-NH1 3.12Å; R284-E287 PolarHBondContact O-N 2.91Å; R284-Q288 WeakPolarHBondContact O-CB 3.12Å; R284-Q288 PolarHBondContact O-N 2.95Å |
| 285 | E | 97.2 | Very high | 96.5 | Very high | 118 Ų | 118 | 103.1 Ų | 103.1 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.8 | -47 | 177 | -171.2 | 174.3 | -160.2 | 0 | 0 | 111 | D281 R282 E287 Q288 D289 | D281-E285 PolarHBondContact O-N 2.8Å; R282-E285 PolarHBondContact O-N 3.2Å; E285-E287 PolarHBondContact O-N 3.29Å; E285-Q288 WeakPolarHBondContact O-CB 3.39Å; E285-Q288 PolarHBondContact O-N 2.93Å; E285-D289 PolarHBondContact O-N 2.82Å |
| 286 | V | 96.5 | Very high | 96.6 | Very high | 82 Ų | 82 | 103 Ų | 103 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 175.5 | 173 | 0 | 0 | 0 | 0 | 112 | R282 C283 Q288 D289 V290 | R282-V286 WeakPolarHBondContact O-CG2 3.48Å; R282-V286 PolarHBondContact O-N 3.42Å; C283-V286 PolarHBondContact O-N 3.28Å; V286-Q288 VanDerWaalsContact C-N 3.31Å; V286-Q288 PolarHBondContact O-N 3.36Å; V286-D289 PolarHBondContact O-N 3.44Å; V286-V290 HydrophobicContact CG1-CG2 4.38Å; V286-V290 WeakPolarHBondContact O-CB 3.4Å; V286-V290 VanDerWaalsContact O-CG2 3.25Å; V286-V290 WeakPolarHBondContact O-CG2 3.47Å; V286-V290 PolarHBondContact O-N 3.48Å |
| 287 | E | 95.8 | Very high | 96.7 | Very high | 133 Ų | 133 | 101.1 Ų | 101.1 | 62% | 0.621 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.7 | -40.6 | 174.4 | -76.7 | 170.8 | 178.9 | 0 | 0 | 111.7 | C283 R284 E285 V290 A291 | C283-E287 WeakPolarHBondContact O-CB 3.45Å; C283-E287 VanDerWaalsContact O-CG 3.27Å; C283-E287 WeakPolarHBondContact O-CG 3.44Å; C283-E287 PolarHBondContact O-N 3.49Å; R284-E287 PolarHBondContact O-N 2.91Å; E285-E287 PolarHBondContact O-N 3.29Å; E287-V290 PolarHBondContact O-N 2.73Å; E287-A291 WeakPolarHBondContact O-CB 3.37Å; E287-A291 PolarHBondContact O-N 3.42Å |
| 288 | Q | 97.4 | Very high | 96.7 | Very high | 134 Ų | 134 | 100 Ų | 100 | 63% | 0.626 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.6 | -44.3 | 175.3 | -175.3 | 174.4 | -3.8 | 0 | 0 | 111.6 | R284 E285 V286 V290 A291 T292 | R284-Q288 WeakPolarHBondContact O-CB 3.12Å; R284-Q288 PolarHBondContact O-N 2.95Å; E285-Q288 WeakPolarHBondContact O-CB 3.39Å; E285-Q288 PolarHBondContact O-N 2.93Å; V286-Q288 VanDerWaalsContact C-N 3.31Å; V286-Q288 PolarHBondContact O-N 3.36Å; Q288-V290 VanDerWaalsContact C-N 3.34Å; Q288-V290 PolarHBondContact O-N 2.88Å; Q288-A291 WeakPolarHBondContact O-CB 3.29Å; Q288-A291 PolarHBondContact O-N 2.97Å; Q288-A291 VanDerWaalsContact O-N 3.17Å; Q288-T292 PolarHBondContact O-N 2.91Å; Q288-T292 PolarHBondContact O-OG1 3.46Å |
| 289 | D | 97.4 | Very high | 96.7 | Very high | 82 Ų | 82 | 101.6 Ų | 101.6 | 44% | 0.439 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.5 | -40.1 | 175.7 | -74.6 | -15.9 | 0 | 0 | 0 | 112.2 | E285 V286 A291 T292 L293 | E285-D289 PolarHBondContact O-N 2.82Å; V286-D289 PolarHBondContact O-N 3.44Å; D289-A291 VanDerWaalsContact C-N 3.31Å; D289-A291 PolarHBondContact O-N 3.27Å; D289-T292 WeakPolarHBondContact CA-OG1 3.31Å; D289-T292 PolarHBondContact O-N 3.23Å; D289-T292 PolarHBondContact O-OG1 3.06Å; D289-L293 WeakPolarHBondContact O-CB 3.31Å; D289-L293 VanDerWaalsContact O-CG 3.25Å; D289-L293 WeakPolarHBondContact O-CG 3.4Å; D289-L293 PolarHBondContact O-N 3.39Å |
| 290 | V | 96.8 | Very high | 96.8 | Very high | 63 Ų | 63 | 103.6 Ų | 103.6 | 38% | 0.382 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.1 | -38.3 | 174.9 | 168.7 | 0 | 0 | 0 | 0 | 110.8 | V286 E287 Q288 K294 | V286-V290 HydrophobicContact CG1-CG2 4.38Å; V286-V290 WeakPolarHBondContact O-CB 3.4Å; V286-V290 VanDerWaalsContact O-CG2 3.25Å; V286-V290 WeakPolarHBondContact O-CG2 3.47Å; V286-V290 PolarHBondContact O-N 3.48Å; E287-V290 PolarHBondContact O-N 2.73Å; Q288-V290 VanDerWaalsContact C-N 3.34Å; Q288-V290 PolarHBondContact O-N 2.88Å; V290-K294 HydrophobicContact CG1-CD 4.05Å; V290-K294 WeakPolarHBondContact O-CB 3.38Å; V290-K294 WeakPolarHBondContact O-CG 3.47Å; V290-K294 PolarHBondContact O-N 2.92Å |
| 291 | A | 97 | Very high | 96.8 | Very high | 58 Ų | 58 | 104 Ų | 104 | 48% | 0.479 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.3 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | E287 Q288 D289 K294 A295 | E287-A291 WeakPolarHBondContact O-CB 3.37Å; E287-A291 PolarHBondContact O-N 3.42Å; Q288-A291 WeakPolarHBondContact O-CB 3.29Å; Q288-A291 PolarHBondContact O-N 2.97Å; Q288-A291 VanDerWaalsContact O-N 3.17Å; D289-A291 VanDerWaalsContact C-N 3.31Å; D289-A291 PolarHBondContact O-N 3.27Å; A291-K294 PolarHBondContact O-N 2.89Å; A291-A295 PolarHBondContact O-N 3.47Å |
| 292 | T | 96.9 | Very high | 96.8 | Very high | 63 Ų | 63 | 103.6 Ų | 103.6 | 39% | 0.387 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -67.4 | -44.2 | 177.7 | 51.7 | 0 | 0 | 0 | 0 | 111.9 | Q288 D289 K294 A295 Q296 | Q288-T292 PolarHBondContact O-N 2.91Å; Q288-T292 PolarHBondContact O-OG1 3.46Å; D289-T292 WeakPolarHBondContact CA-OG1 3.31Å; D289-T292 PolarHBondContact O-N 3.23Å; D289-T292 PolarHBondContact O-OG1 3.06Å; T292-K294 VanDerWaalsContact C-N 3.31Å; T292-K294 PolarHBondContact O-N 2.91Å; T292-A295 PolarHBondContact O-N 2.91Å; T292-A295 VanDerWaalsContact O-N 3.17Å; T292-Q296 WeakPolarHBondContact O-CG 3.46Å; T292-Q296 PolarHBondContact O-N 3.25Å |
| 293 | L | 96.9 | Very high | 96.8 | Very high | 108 Ų | 108 | 99.6 Ų | 99.6 | 57% | 0.565 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62 | -37.9 | 176 | -73.1 | 172.4 | 0 | 0 | 0 | 112.2 | D289 Q296 L297 | D289-L293 WeakPolarHBondContact O-CB 3.31Å; D289-L293 VanDerWaalsContact O-CG 3.25Å; D289-L293 WeakPolarHBondContact O-CG 3.4Å; D289-L293 PolarHBondContact O-N 3.39Å; L293-Q296 PolarHBondContact O-N 3.39Å; L293-L297 WeakPolarHBondContact O-CB 3.43Å; L293-L297 PolarHBondContact O-N 3.39Å |
| 294 | K | 96.7 | Very high | 96.9 | Very high | 132 Ų | 132 | 101.4 Ų | 101.4 | 57% | 0.574 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.6 | -43.5 | 173.5 | -78.4 | 172.1 | -179.4 | 173.9 | 0 | 111.9 | V290 A291 T292 L297 L298 | V290-K294 HydrophobicContact CG1-CD 4.05Å; V290-K294 WeakPolarHBondContact O-CB 3.38Å; V290-K294 WeakPolarHBondContact O-CG 3.47Å; V290-K294 PolarHBondContact O-N 2.92Å; A291-K294 PolarHBondContact O-N 2.89Å; T292-K294 VanDerWaalsContact C-N 3.31Å; T292-K294 PolarHBondContact O-N 2.91Å; K294-L297 PolarHBondContact O-N 2.93Å; K294-L298 WeakPolarHBondContact O-CG 3.29Å; K294-L298 PolarHBondContact O-N 3.44Å; K294-L298 VanDerWaalsContact O-N 3.09Å |
| 295 | A | 96.4 | Very high | 97 | Very high | 57 Ų | 57 | 97.3 Ų | 97.3 | 47% | 0.471 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A291 T292 L297 L298 E299 | A291-A295 PolarHBondContact O-N 3.47Å; T292-A295 PolarHBondContact O-N 2.91Å; T292-A295 VanDerWaalsContact O-N 3.17Å; A295-L297 VanDerWaalsContact C-N 3.33Å; A295-L297 PolarHBondContact O-N 3.46Å; A295-L298 PolarHBondContact O-N 3.42Å; A295-E299 PolarHBondContact O-N 2.98Å |
| 296 | Q | 97 | Very high | 97 | Very high | 117 Ų | 117 | 96.5 Ų | 96.5 | 55% | 0.547 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -38.2 | 176.2 | -71.1 | 175.9 | 0.6 | 0 | 0 | 112.6 | T292 L293 E299 K300 | T292-Q296 WeakPolarHBondContact O-CG 3.46Å; T292-Q296 PolarHBondContact O-N 3.25Å; L293-Q296 PolarHBondContact O-N 3.39Å; Q296-E299 PolarHBondContact O-N 3.2Å; Q296-K300 WeakPolarHBondContact O-CB 3.37Å; Q296-K300 PolarHBondContact O-N 3.2Å |
| 297 | L | 97 | Very high | 97 | Very high | 95 Ų | 95 | 96.5 Ų | 96.5 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 175.8 | -179.2 | 64.5 | 0 | 0 | 0 | 111.5 | L293 K294 A295 K300 Q301 | L293-L297 WeakPolarHBondContact O-CB 3.43Å; L293-L297 PolarHBondContact O-N 3.39Å; K294-L297 PolarHBondContact O-N 2.93Å; A295-L297 VanDerWaalsContact C-N 3.33Å; A295-L297 PolarHBondContact O-N 3.46Å; L297-K300 PolarHBondContact O-N 3.35Å; L297-Q301 VanDerWaalsContact O-CG 3.31Å; L297-Q301 WeakPolarHBondContact O-CG 3.2Å; L297-Q301 PolarHBondContact O-N 3.03Å |
| 298 | L | 97.5 | Very high | 97.1 | Very high | 114 Ų | 114 | 94.3 Ų | 94.3 | 60% | 0.597 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.3 | -43.5 | 176.9 | -71 | 173.8 | 0 | 0 | 0 | 111.7 | K294 A295 Q301 A302 | K294-L298 WeakPolarHBondContact O-CG 3.29Å; K294-L298 PolarHBondContact O-N 3.44Å; K294-L298 VanDerWaalsContact O-N 3.09Å; A295-L298 PolarHBondContact O-N 3.42Å; L298-Q301 PolarHBondContact O-N 3.33Å; L298-A302 PolarHBondContact O-N 2.94Å |
| 299 | E | 96.8 | Very high | 97.2 | Very high | 134 Ų | 134 | 93.3 Ų | 93.3 | 63% | 0.626 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61 | -45.3 | 175.6 | -173.3 | 176.7 | -169.9 | 0 | 0 | 111.4 | A295 Q296 Q301 A302 V303 | A295-E299 PolarHBondContact O-N 2.98Å; Q296-E299 PolarHBondContact O-N 3.2Å; E299-Q301 VanDerWaalsContact C-N 3.32Å; E299-Q301 PolarHBondContact O-N 3.21Å; E299-A302 WeakPolarHBondContact O-CB 3.29Å; E299-A302 PolarHBondContact O-N 3.42Å; E299-V303 WeakPolarHBondContact O-CG2 3.31Å; E299-V303 PolarHBondContact O-N 3.03Å |
| 300 | K | 97 | Very high | 97.2 | Very high | 140 Ų | 140 | 92.8 Ų | 92.8 | 61% | 0.609 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.8 | -42.1 | 175.1 | -175 | -179.7 | 177.2 | -178.9 | 0 | 112 | Q296 L297 Q304 | Q296-K300 WeakPolarHBondContact O-CB 3.37Å; Q296-K300 PolarHBondContact O-N 3.2Å; L297-K300 PolarHBondContact O-N 3.35Å; K300-Q304 VanDerWaalsContact O-CB 3.28Å; K300-Q304 WeakPolarHBondContact O-CB 3.32Å; K300-Q304 PolarHBondContact O-N 3.33Å |
| 301 | Q | 96.9 | Very high | 97.3 | Very high | 104 Ų | 104 | 95.3 Ų | 95.3 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.3 | -39.9 | 176.2 | -75.2 | 175.5 | -2.1 | 0 | 0 | 111.9 | L297 L298 E299 Q304 A305 | L297-Q301 VanDerWaalsContact O-CG 3.31Å; L297-Q301 WeakPolarHBondContact O-CG 3.2Å; L297-Q301 PolarHBondContact O-N 3.03Å; L298-Q301 PolarHBondContact O-N 3.33Å; E299-Q301 VanDerWaalsContact C-N 3.32Å; E299-Q301 PolarHBondContact O-N 3.21Å; Q301-Q304 PolarHBondContact O-N 3.44Å; Q301-A305 WeakPolarHBondContact O-CB 3.35Å; Q301-A305 PolarHBondContact O-N 3.46Å |
| 302 | A | 96.9 | Very high | 97.3 | Very high | 61 Ų | 61 | 98.9 Ų | 98.9 | 50% | 0.504 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.9 | -48.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | L298 E299 Q304 A305 E306 | L298-A302 PolarHBondContact O-N 2.94Å; E299-A302 WeakPolarHBondContact O-CB 3.29Å; E299-A302 PolarHBondContact O-N 3.42Å; A302-Q304 VanDerWaalsContact C-N 3.26Å; A302-Q304 PolarHBondContact O-N 2.92Å; A302-A305 PolarHBondContact O-N 3.3Å; A302-E306 PolarHBondContact O-N 2.93Å |
| 303 | V | 97.4 | Very high | 97.4 | Very high | 73 Ų | 73 | 100.3 Ų | 100.3 | 44% | 0.442 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.8 | -35.9 | 176 | 172.7 | 0 | 0 | 0 | 0 | 111.5 | E299 E306 N307 | E299-V303 WeakPolarHBondContact O-CG2 3.31Å; E299-V303 PolarHBondContact O-N 3.03Å; V303-E306 PolarHBondContact O-N 3.29Å; V303-N307 WeakPolarHBondContact O-CB 3.42Å; V303-N307 PolarHBondContact O-N 2.92Å; V303-N307 PolarHBondContact O-ND2 2.67Å |
| 304 | Q | 97 | Very high | 97.4 | Very high | 112 Ų | 112 | 100.8 Ų | 100.8 | 52% | 0.523 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.3 | -43 | 177.1 | -171.4 | 154.2 | -1.5 | 0 | 0 | 111.8 | K300 Q301 A302 E306 N307 E308 | K300-Q304 VanDerWaalsContact O-CB 3.28Å; K300-Q304 WeakPolarHBondContact O-CB 3.32Å; K300-Q304 PolarHBondContact O-N 3.33Å; Q301-Q304 PolarHBondContact O-N 3.44Å; A302-Q304 VanDerWaalsContact C-N 3.26Å; A302-Q304 PolarHBondContact O-N 2.92Å; Q304-E306 VanDerWaalsContact C-N 3.31Å; Q304-E306 PolarHBondContact O-N 2.99Å; Q304-N307 PolarHBondContact O-N 2.9Å; Q304-E308 WeakPolarHBondContact O-CG 3.43Å; Q304-E308 PolarHBondContact O-N 2.87Å |
| 305 | A | 97.6 | Very high | 97.5 | Very high | 64 Ų | 64 | 96.1 Ų | 96.1 | 53% | 0.529 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.8 | -39.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q301 A302 E308 R309 | Q301-A305 WeakPolarHBondContact O-CB 3.35Å; Q301-A305 PolarHBondContact O-N 3.46Å; A302-A305 PolarHBondContact O-N 3.3Å; A305-E308 PolarHBondContact O-N 3.28Å; A305-R309 PolarHBondContact O-N 2.92Å |
| 306 | E | 97.4 | Very high | 97.5 | Very high | 101 Ų | 101 | 97.1 Ų | 97.1 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.1 | -41.1 | 175.1 | -176.5 | 163.8 | -151.4 | 0 | 0 | 112.4 | A302 V303 Q304 E308 R309 L310 | A302-E306 PolarHBondContact O-N 2.93Å; V303-E306 PolarHBondContact O-N 3.29Å; Q304-E306 VanDerWaalsContact C-N 3.31Å; Q304-E306 PolarHBondContact O-N 2.99Å; E306-E308 PolarHBondContact O-N 2.91Å; E306-R309 WeakPolarHBondContact O-CB 3.32Å; E306-R309 PolarHBondContact O-N 3.35Å; E306-R309 IonicContact OE1-NH2 3.39Å; E306-R309 PolarHBondContact OE1-NH2 3.46Å; E306-L310 HydrophobicContact CG-CD1 4.17Å; E306-L310 HydrophobicContact CG-CG 4.41Å; E306-L310 WeakPolarHBondContact O-CG 3.48Å; E306-L310 PolarHBondContact O-N 3.11Å |
| 307 | N | 97.4 | Very high | 97.6 | Very high | 81 Ų | 81 | 96.8 Ų | 96.8 | 43% | 0.433 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.7 | -45.2 | 173.9 | -103.4 | -73.1 | 0 | 0 | 0 | 112.2 | V303 Q304 R309 L310 K311 | V303-N307 WeakPolarHBondContact O-CB 3.42Å; V303-N307 PolarHBondContact O-N 2.92Å; V303-N307 PolarHBondContact O-ND2 2.67Å; Q304-N307 PolarHBondContact O-N 2.9Å; N307-R309 VanDerWaalsContact C-N 3.33Å; N307-R309 PolarHBondContact O-N 3.02Å; N307-L310 PolarHBondContact O-N 2.69Å; N307-K311 WeakPolarHBondContact O-CG 3.43Å; N307-K311 PolarHBondContact O-N 2.71Å |
| 308 | E | 98 | Very high | 97.6 | Very high | 88 Ų | 88 | 98.3 Ų | 98.3 | 41% | 0.411 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.6 | -39.5 | 176.9 | -67 | -52.6 | 136.2 | 0 | 0 | 111.5 | Q304 A305 E306 K311 L312 | Q304-E308 WeakPolarHBondContact O-CG 3.43Å; Q304-E308 PolarHBondContact O-N 2.87Å; A305-E308 PolarHBondContact O-N 3.28Å; E306-E308 PolarHBondContact O-N 2.91Å; E308-K311 PolarHBondContact O-N 3.5Å; E308-K311 IonicContact OE1-NZ 2.67Å; E308-K311 PolarHBondContact OE1-NZ 2.9Å; E308-K311 IonicContact OE2-NZ 3.12Å; E308-L312 WeakPolarHBondContact O-CG 3.45Å; E308-L312 PolarHBondContact O-N 3.41Å; E308-L312 VanDerWaalsContact O-N 3.1Å |
| 309 | R | 98.4 | Very high | 97.6 | Very high | 112 Ų | 112 | 95.6 Ų | 95.6 | 42% | 0.423 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.1 | -46.6 | 172.5 | -174.2 | -173.6 | 69.6 | 80.4 | -1.3 | 111.9 | A305 E306 N307 L312 Q313 | A305-R309 PolarHBondContact O-N 2.92Å; E306-R309 WeakPolarHBondContact O-CB 3.32Å; E306-R309 PolarHBondContact O-N 3.35Å; E306-R309 IonicContact OE1-NH2 3.39Å; E306-R309 PolarHBondContact OE1-NH2 3.46Å; N307-R309 VanDerWaalsContact C-N 3.33Å; N307-R309 PolarHBondContact O-N 3.02Å; R309-L312 PolarHBondContact O-N 3.25Å; R309-Q313 VanDerWaalsContact NH1-CD 3.31Å; R309-Q313 WeakPolarHBondContact O-CG 3.33Å; R309-Q313 PolarHBondContact O-N 3.34Å |
| 310 | L | 98.1 | Very high | 97.7 | Very high | 72 Ų | 72 | 93.9 Ų | 93.9 | 38% | 0.377 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.5 | -38.5 | 179.4 | -72.1 | 173.7 | 0 | 0 | 0 | 112.1 | E306 N307 L312 Q313 L314 | E306-L310 HydrophobicContact CG-CD1 4.17Å; E306-L310 HydrophobicContact CG-CG 4.41Å; E306-L310 WeakPolarHBondContact O-CG 3.48Å; E306-L310 PolarHBondContact O-N 3.11Å; N307-L310 PolarHBondContact O-N 2.69Å; L310-L312 VanDerWaalsContact C-N 3.33Å; L310-L312 PolarHBondContact O-N 2.93Å; L310-Q313 PolarHBondContact O-N 2.98Å; L310-L314 WeakPolarHBondContact O-CB 3.29Å; L310-L314 WeakPolarHBondContact O-CG 3.37Å; L310-L314 PolarHBondContact O-N 2.88Å |
| 311 | K | 98.2 | Very high | 97.7 | Very high | 116 Ų | 116 | 88.9 Ų | 88.9 | 50% | 0.504 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -59.1 | -44 | 173.3 | -76.3 | 175.5 | -171.6 | 169 | 0 | 111.8 | N307 E308 L314 G315 | N307-K311 WeakPolarHBondContact O-CG 3.43Å; N307-K311 PolarHBondContact O-N 2.71Å; E308-K311 PolarHBondContact O-N 3.5Å; E308-K311 IonicContact OE1-NZ 2.67Å; E308-K311 PolarHBondContact OE1-NZ 2.9Å; E308-K311 IonicContact OE2-NZ 3.12Å; K311-L314 PolarHBondContact O-N 3.43Å; K311-G315 PolarHBondContact O-N 3.37Å |
| 312 | L | 97.9 | Very high | 97.7 | Very high | 133 Ų | 133 | 90 Ų | 90 | 70% | 0.696 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.2 | -41.3 | 176 | -69.4 | 173.4 | 0 | 0 | 0 | 111.7 | E308 R309 L310 G315 S316 | E308-L312 WeakPolarHBondContact O-CG 3.45Å; E308-L312 PolarHBondContact O-N 3.41Å; E308-L312 VanDerWaalsContact O-N 3.1Å; R309-L312 PolarHBondContact O-N 3.25Å; L310-L312 VanDerWaalsContact C-N 3.33Å; L310-L312 PolarHBondContact O-N 2.93Å; L312-G315 PolarHBondContact O-N 3.4Å; L312-S316 WeakPolarHBondContact O-CB 3.5Å; L312-S316 PolarHBondContact O-N 3.47Å |
| 313 | Q | 98.2 | Very high | 97.7 | Very high | 93 Ų | 93 | 93 Ų | 93 | 44% | 0.435 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 175.2 | -73.9 | -174.8 | -27.2 | 0 | 0 | 112.1 | R309 L310 S316 L317 | R309-Q313 VanDerWaalsContact NH1-CD 3.31Å; R309-Q313 WeakPolarHBondContact O-CG 3.33Å; R309-Q313 PolarHBondContact O-N 3.34Å; L310-Q313 PolarHBondContact O-N 2.98Å; Q313-S316 PolarHBondContact O-N 2.91Å; Q313-L317 WeakPolarHBondContact O-CG 3.47Å; Q313-L317 PolarHBondContact O-N 3.47Å |
| 314 | L | 97.6 | Very high | 97.7 | Very high | 117 Ų | 117 | 94.9 Ų | 94.9 | 61% | 0.613 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.1 | -43.9 | 174.8 | -76 | 170.4 | 0 | 0 | 0 | 111.7 | L310 K311 S316 L317 Q318 | L310-L314 WeakPolarHBondContact O-CB 3.29Å; L310-L314 WeakPolarHBondContact O-CG 3.37Å; L310-L314 PolarHBondContact O-N 2.88Å; K311-L314 PolarHBondContact O-N 3.43Å; L314-S316 VanDerWaalsContact C-N 3.35Å; L314-S316 PolarHBondContact O-N 2.84Å; L314-L317 PolarHBondContact O-N 3.37Å; L314-Q318 VanDerWaalsContact O-CB 3.27Å; L314-Q318 WeakPolarHBondContact O-CB 3.5Å; L314-Q318 PolarHBondContact O-N 3.46Å |
| 315 | G | 98.3 | Very high | 97.7 | Very high | 35 Ų | 35 | 94.3 Ų | 94.3 | 36% | 0.361 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | K311 L312 Q318 A319 | K311-G315 PolarHBondContact O-N 3.37Å; L312-G315 PolarHBondContact O-N 3.4Å; G315-Q318 PolarHBondContact O-N 3.32Å; G315-A319 WeakPolarHBondContact O-CB 3.43Å; G315-A319 PolarHBondContact O-N 3Å |
| 316 | S | 97.8 | Very high | 97.7 | Very high | 78 Ų | 78 | 97.6 Ų | 97.6 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.1 | -45.7 | 175.4 | -174.2 | 0 | 0 | 0 | 0 | 112.2 | L312 Q313 L314 A319 Q320 | L312-S316 WeakPolarHBondContact O-CB 3.5Å; L312-S316 PolarHBondContact O-N 3.47Å; Q313-S316 PolarHBondContact O-N 2.91Å; L314-S316 VanDerWaalsContact C-N 3.35Å; L314-S316 PolarHBondContact O-N 2.84Å; S316-A319 PolarHBondContact O-N 3.38Å; S316-Q320 WeakPolarHBondContact O-CB 3.45Å; S316-Q320 PolarHBondContact O-N 3Å |
| 317 | L | 97.9 | Very high | 97.7 | Very high | 109 Ų | 109 | 99.2 Ų | 99.2 | 57% | 0.571 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66.6 | -38.3 | 178.2 | -72 | 173.6 | 0 | 0 | 0 | 111.6 | Q313 L314 Q320 G321 | Q313-L317 WeakPolarHBondContact O-CG 3.47Å; Q313-L317 PolarHBondContact O-N 3.47Å; L314-L317 PolarHBondContact O-N 3.37Å; L317-Q320 PolarHBondContact O-N 2.88Å; L317-G321 PolarHBondContact O-N 3.28Å |
| 318 | Q | 98.2 | Very high | 97.7 | Very high | 128 Ų | 128 | 97.1 Ų | 97.1 | 60% | 0.598 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.3 | -44.3 | 174.8 | -174.6 | 179 | 6.6 | 0 | 0 | 111.4 | L314 G315 G321 Q322 | L314-Q318 VanDerWaalsContact O-CB 3.27Å; L314-Q318 WeakPolarHBondContact O-CB 3.5Å; L314-Q318 PolarHBondContact O-N 3.46Å; G315-Q318 PolarHBondContact O-N 3.32Å; Q318-G321 PolarHBondContact O-N 3Å; Q318-Q322 WeakPolarHBondContact O-CG 3.4Å; Q318-Q322 PolarHBondContact O-N 2.85Å |
| 319 | A | 97.1 | Very high | 97.6 | Very high | 56 Ų | 56 | 95.8 Ų | 95.8 | 46% | 0.463 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G315 S316 Q322 L323 | G315-A319 WeakPolarHBondContact O-CB 3.43Å; G315-A319 PolarHBondContact O-N 3Å; S316-A319 PolarHBondContact O-N 3.38Å; A319-Q322 PolarHBondContact O-N 3.27Å; A319-L323 PolarHBondContact O-N 2.89Å |
| 320 | Q | 97.8 | Very high | 97.6 | Very high | 98 Ų | 98 | 94.1 Ų | 94.1 | 46% | 0.458 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 174.2 | -177.4 | 177.2 | -13.2 | 0 | 0 | 111.5 | S316 L317 Q322 L323 E324 | S316-Q320 WeakPolarHBondContact O-CB 3.45Å; S316-Q320 PolarHBondContact O-N 3Å; L317-Q320 PolarHBondContact O-N 2.88Å; Q320-Q322 VanDerWaalsContact C-N 3.34Å; Q320-Q322 PolarHBondContact O-N 2.86Å; Q320-L323 WeakPolarHBondContact O-CB 3.46Å; Q320-L323 PolarHBondContact O-N 3.27Å; Q320-L323 VanDerWaalsContact O-N 3.16Å; Q320-E324 PolarHBondContact NE2-OE1 3.02Å; Q320-E324 WeakPolarHBondContact O-CG 3.3Å; Q320-E324 PolarHBondContact O-N 2.87Å |
| 321 | G | 96.7 | Very high | 97.5 | Very high | 36 Ų | 36 | 95 Ų | 95 | 37% | 0.371 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -39.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | L317 Q318 E324 Q325 | L317-G321 PolarHBondContact O-N 3.28Å; Q318-G321 PolarHBondContact O-N 3Å; G321-E324 PolarHBondContact O-N 3.31Å; G321-Q325 VanDerWaalsContact O-CB 3.32Å; G321-Q325 WeakPolarHBondContact O-CB 3.45Å; G321-Q325 PolarHBondContact O-N 3.21Å |
| 322 | Q | 98.3 | Very high | 97.5 | Very high | 127 Ų | 127 | 96.4 Ų | 96.4 | 59% | 0.593 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.8 | -39.9 | 173.7 | -73.7 | 178.3 | 1 | 0 | 0 | 112.4 | Q318 A319 Q320 K326 | Q318-Q322 WeakPolarHBondContact O-CG 3.4Å; Q318-Q322 PolarHBondContact O-N 2.85Å; A319-Q322 PolarHBondContact O-N 3.27Å; Q320-Q322 VanDerWaalsContact C-N 3.34Å; Q320-Q322 PolarHBondContact O-N 2.86Å; Q322-K326 WeakPolarHBondContact O-CB 3.44Å; Q322-K326 PolarHBondContact O-N 2.9Å |
| 323 | L | 97.3 | Very high | 97.5 | Very high | 124 Ų | 124 | 94.5 Ų | 94.5 | 65% | 0.649 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.1 | -43.2 | 177.1 | -175.8 | 66.9 | 0 | 0 | 0 | 111.7 | A319 Q320 K326 K327 | A319-L323 PolarHBondContact O-N 2.89Å; Q320-L323 WeakPolarHBondContact O-CB 3.46Å; Q320-L323 PolarHBondContact O-N 3.27Å; Q320-L323 VanDerWaalsContact O-N 3.16Å; L323-K326 PolarHBondContact O-N 2.95Å; L323-K327 WeakPolarHBondContact O-CB 3.42Å; L323-K327 PolarHBondContact O-N 3.32Å |
| 324 | E | 96.3 | Very high | 97.5 | Very high | 113 Ų | 113 | 94.2 Ų | 94.2 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 176.1 | -74.1 | 175.6 | -169.9 | 0 | 0 | 111.7 | Q320 G321 K327 A328 | Q320-E324 PolarHBondContact NE2-OE1 3.02Å; Q320-E324 WeakPolarHBondContact O-CG 3.3Å; Q320-E324 PolarHBondContact O-N 2.87Å; G321-E324 PolarHBondContact O-N 3.31Å; E324-K327 PolarHBondContact O-N 2.9Å; E324-A328 WeakPolarHBondContact O-CB 3.49Å; E324-A328 PolarHBondContact O-N 3.28Å |
| 325 | Q | 97.5 | Very high | 97.5 | Very high | 99 Ų | 99 | 93 Ų | 93 | 46% | 0.463 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.9 | -48.6 | 174.3 | -178.8 | 61.7 | 41.3 | 0 | 0 | 111.3 | G321 K327 A328 D329 | G321-Q325 VanDerWaalsContact O-CB 3.32Å; G321-Q325 WeakPolarHBondContact O-CB 3.45Å; G321-Q325 PolarHBondContact O-N 3.21Å; Q325-K327 VanDerWaalsContact C-N 3.31Å; Q325-K327 PolarHBondContact O-N 3.49Å; Q325-A328 PolarHBondContact O-N 3.05Å; Q325-D329 PolarHBondContact NE2-OD1 3.36Å; Q325-D329 PolarHBondContact NE2-OD2 3.44Å; Q325-D329 VanDerWaalsContact O-CG 3.27Å; Q325-D329 PolarHBondContact O-N 3.27Å |
| 326 | K | 97.7 | Very high | 97.5 | Very high | 133 Ų | 133 | 93.5 Ų | 93.5 | 58% | 0.578 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.8 | -42.8 | 177.2 | -174.5 | -179.6 | 177.5 | -177.9 | 0 | 111.6 | Q322 L323 A328 D329 D330 | Q322-K326 WeakPolarHBondContact O-CB 3.44Å; Q322-K326 PolarHBondContact O-N 2.9Å; L323-K326 PolarHBondContact O-N 2.95Å; K326-A328 PolarHBondContact O-N 3.22Å; K326-D329 PolarHBondContact O-N 2.92Å; K326-D330 PolarHBondContact O-N 3.48Å |
| 327 | K | 98.1 | Very high | 97.5 | Very high | 136 Ų | 136 | 95.8 Ų | 95.8 | 59% | 0.591 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.6 | -43.1 | 176.4 | -173.6 | -178.8 | 177.2 | -174.4 | 0 | 111.8 | L323 E324 Q325 D329 D330 D331 | L323-K327 WeakPolarHBondContact O-CB 3.42Å; L323-K327 PolarHBondContact O-N 3.32Å; E324-K327 PolarHBondContact O-N 2.9Å; Q325-K327 VanDerWaalsContact C-N 3.31Å; Q325-K327 PolarHBondContact O-N 3.49Å; K327-D329 VanDerWaalsContact C-N 3.3Å; K327-D329 PolarHBondContact O-N 3.04Å; K327-D330 PolarHBondContact O-N 2.92Å; K327-D331 PolarHBondContact O-N 2.94Å |
| 328 | A | 95.6 | Very high | 97.6 | Very high | 37 Ų | 37 | 96.3 Ų | 96.3 | 31% | 0.306 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.7 | -36.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E324 Q325 K326 D331 R332 | E324-A328 WeakPolarHBondContact O-CB 3.49Å; E324-A328 PolarHBondContact O-N 3.28Å; Q325-A328 PolarHBondContact O-N 3.05Å; K326-A328 PolarHBondContact O-N 3.22Å; A328-D331 PolarHBondContact O-N 3.13Å; A328-R332 WeakPolarHBondContact O-CG 3.34Å; A328-R332 PolarHBondContact O-N 2.94Å |
| 329 | D | 97.1 | Very high | 97.6 | Very high | 59 Ų | 59 | 96.2 Ų | 96.2 | 32% | 0.316 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68.3 | -41.1 | 175.6 | -65.1 | -27.8 | 0 | 0 | 0 | 111.5 | Q325 K326 K327 R332 N333 | Q325-D329 PolarHBondContact NE2-OD1 3.36Å; Q325-D329 PolarHBondContact NE2-OD2 3.44Å; Q325-D329 VanDerWaalsContact O-CG 3.27Å; Q325-D329 PolarHBondContact O-N 3.27Å; K326-D329 PolarHBondContact O-N 2.92Å; K327-D329 VanDerWaalsContact C-N 3.3Å; K327-D329 PolarHBondContact O-N 3.04Å; D329-R332 PolarHBondContact O-N 2.95Å; D329-R332 IonicContact OD1-CZ 2.76Å; D329-R332 IonicContact OD1-NH1 3.91Å; D329-R332 PolarHBondContact OD1-NH1 3.13Å; D329-N333 VanDerWaalsContact O-CG 3.27Å; D329-N333 PolarHBondContact O-N 3.14Å; D329-N333 PolarHBondContact O-ND2 3.5Å |
| 330 | D | 97.7 | Very high | 97.6 | Very high | 78 Ų | 78 | 98.2 Ų | 98.2 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 173.2 | -70 | -23.6 | 0 | 0 | 0 | 111.3 | K326 K327 R332 N333 N334 | K326-D330 PolarHBondContact O-N 3.48Å; K327-D330 PolarHBondContact O-N 2.92Å; D330-R332 PolarHBondContact O-N 3.35Å; D330-N333 PolarHBondContact O-N 3.29Å; D330-N334 WeakPolarHBondContact O-CB 3.44Å; D330-N334 PolarHBondContact O-N 2.96Å; D330-N334 PolarHBondContact O-ND2 3.34Å |
| 331 | D | 97.3 | Very high | 97.6 | Very high | 89 Ų | 89 | 96.1 Ų | 96.1 | 48% | 0.476 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.9 | -37.9 | 175.9 | -72.9 | -23.1 | 0 | 0 | 0 | 112.3 | K327 A328 N334 L335 | K327-D331 PolarHBondContact O-N 2.94Å; A328-D331 PolarHBondContact O-N 3.13Å; D331-N334 PolarHBondContact O-N 3.49Å; D331-L335 WeakPolarHBondContact O-CB 3.33Å; D331-L335 PolarHBondContact O-N 3.38Å |
| 332 | R | 97.8 | Very high | 97.7 | Very high | 147 Ų | 147 | 102 Ų | 102 | 56% | 0.555 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.4 | -42 | 172.5 | -75.9 | -176.6 | -157.5 | 126.7 | 10.1 | 111.8 | A328 D329 D330 L335 A336 | A328-R332 WeakPolarHBondContact O-CG 3.34Å; A328-R332 PolarHBondContact O-N 2.94Å; D329-R332 PolarHBondContact O-N 2.95Å; D329-R332 IonicContact OD1-CZ 2.76Å; D329-R332 IonicContact OD1-NH1 3.91Å; D329-R332 PolarHBondContact OD1-NH1 3.13Å; D330-R332 PolarHBondContact O-N 3.35Å; R332-L335 PolarHBondContact O-N 2.86Å; R332-A336 WeakPolarHBondContact O-CB 3.17Å; R332-A336 PolarHBondContact O-N 3.47Å |
| 333 | N | 98 | Very high | 97.7 | Very high | 92 Ų | 92 | 99 Ų | 99 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 176.6 | -70 | -28.1 | 0 | 0 | 0 | 111.3 | D329 D330 L335 A336 Q337 | D329-N333 VanDerWaalsContact O-CG 3.27Å; D329-N333 PolarHBondContact O-N 3.14Å; D329-N333 PolarHBondContact O-ND2 3.5Å; D330-N333 PolarHBondContact O-N 3.29Å; N333-L335 PolarHBondContact O-N 3.45Å; N333-A336 PolarHBondContact O-N 2.94Å; N333-Q337 WeakPolarHBondContact O-CG 3.21Å; N333-Q337 PolarHBondContact O-N 3.22Å |
| 334 | N | 98.3 | Very high | 97.8 | Very high | 88 Ų | 88 | 99.4 Ų | 99.4 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 175.4 | -69.9 | -25.6 | 0 | 0 | 0 | 111.6 | D330 D331 Q337 L338 | D330-N334 WeakPolarHBondContact O-CB 3.44Å; D330-N334 PolarHBondContact O-N 2.96Å; D330-N334 PolarHBondContact O-ND2 3.34Å; D331-N334 PolarHBondContact O-N 3.49Å; N334-Q337 PolarHBondContact O-N 2.89Å; N334-L338 WeakPolarHBondContact O-CB 3.49Å; N334-L338 PolarHBondContact O-N 2.94Å |
| 335 | L | 97.8 | Very high | 97.9 | Very high | 92 Ų | 92 | 99.5 Ų | 99.5 | 48% | 0.482 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.6 | -41 | 175.7 | 179.9 | 63.2 | 0 | 0 | 0 | 111.9 | D331 R332 N333 L338 K339 | D331-L335 WeakPolarHBondContact O-CB 3.33Å; D331-L335 PolarHBondContact O-N 3.38Å; R332-L335 PolarHBondContact O-N 2.86Å; N333-L335 PolarHBondContact O-N 3.45Å; L335-L338 PolarHBondContact O-N 3.31Å; L335-K339 HydrophobicContact CG-CD 4.44Å; L335-K339 VanDerWaalsContact O-CG 3.32Å; L335-K339 WeakPolarHBondContact O-CG 3.4Å; L335-K339 PolarHBondContact O-N 3.13Å |
| 336 | A | 98 | Very high | 97.9 | Very high | 45 Ų | 45 | 99.9 Ų | 99.9 | 37% | 0.372 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | R332 N333 L338 K339 D340 | R332-A336 WeakPolarHBondContact O-CB 3.17Å; R332-A336 PolarHBondContact O-N 3.47Å; N333-A336 PolarHBondContact O-N 2.94Å; A336-L338 VanDerWaalsContact C-N 3.31Å; A336-L338 PolarHBondContact O-N 3.43Å; A336-K339 WeakPolarHBondContact O-CB 3.46Å; A336-K339 PolarHBondContact O-N 3.35Å; A336-D340 PolarHBondContact O-N 3.48Å |
| 337 | Q | 98.3 | Very high | 97.9 | Very high | 126 Ų | 126 | 98.4 Ų | 98.4 | 59% | 0.589 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.8 | -40.5 | 175.8 | -70.8 | 175.8 | 25.1 | 0 | 0 | 112.3 | N333 N334 D340 A341 | N333-Q337 WeakPolarHBondContact O-CG 3.21Å; N333-Q337 PolarHBondContact O-N 3.22Å; N334-Q337 PolarHBondContact O-N 2.89Å; Q337-D340 PolarHBondContact O-N 3.43Å; Q337-A341 WeakPolarHBondContact O-CB 3.45Å; Q337-A341 PolarHBondContact O-N 3.47Å |
| 338 | L | 98.3 | Very high | 97.9 | Very high | 119 Ų | 119 | 96.4 Ų | 96.4 | 62% | 0.623 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.7 | -39.2 | 177.5 | -174.3 | 62.7 | 0 | 0 | 0 | 111.9 | N334 L335 A336 A341 Y342 | N334-L338 WeakPolarHBondContact O-CB 3.49Å; N334-L338 PolarHBondContact O-N 2.94Å; L335-L338 PolarHBondContact O-N 3.31Å; A336-L338 VanDerWaalsContact C-N 3.31Å; A336-L338 PolarHBondContact O-N 3.43Å; L338-A341 PolarHBondContact O-N 2.89Å; L338-Y342 WeakPolarHBondContact O-CB 3.39Å; L338-Y342 PolarHBondContact O-N 3.46Å |
| 339 | K | 98.1 | Very high | 97.9 | Very high | 127 Ų | 127 | 101.6 Ų | 101.6 | 55% | 0.552 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.9 | -44.3 | 173.6 | -75.9 | 176.4 | 177.4 | -176.5 | 0 | 111.4 | L335 A336 Y342 T343 | L335-K339 HydrophobicContact CG-CD 4.44Å; L335-K339 VanDerWaalsContact O-CG 3.32Å; L335-K339 WeakPolarHBondContact O-CG 3.4Å; L335-K339 PolarHBondContact O-N 3.13Å; A336-K339 WeakPolarHBondContact O-CB 3.46Å; A336-K339 PolarHBondContact O-N 3.35Å; K339-Y342 PolarHBondContact O-N 2.82Å; K339-T343 PolarHBondContact O-N 2.91Å; K339-T343 PolarHBondContact O-OG1 3.37Å |
| 340 | D | 98.3 | Very high | 97.9 | Very high | 98 Ų | 98 | 101.6 Ų | 101.6 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 177.4 | -69.8 | -10.8 | 0 | 0 | 0 | 111.5 | A336 Q337 T343 K344 | A336-D340 PolarHBondContact O-N 3.48Å; Q337-D340 PolarHBondContact O-N 3.43Å; D340-T343 PolarHBondContact O-N 3.31Å; D340-K344 WeakPolarHBondContact O-CG 3.11Å; D340-K344 PolarHBondContact O-N 2.86Å |
| 341 | A | 98.2 | Very high | 97.8 | Very high | 53 Ų | 53 | 104.4 Ų | 104.4 | 44% | 0.438 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q337 L338 L345 | Q337-A341 WeakPolarHBondContact O-CB 3.45Å; Q337-A341 PolarHBondContact O-N 3.47Å; L338-A341 PolarHBondContact O-N 2.89Å; A341-L345 WeakPolarHBondContact O-CB 3.07Å; A341-L345 PolarHBondContact O-N 3.45Å |
| 342 | Y | 98.1 | Very high | 97.8 | Very high | 160 Ų | 160 | 105.7 Ų | 105.7 | 63% | 0.627 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.7 | -45.9 | 175.7 | 179.6 | -92.6 | 0 | 0 | 0 | 111.8 | L338 K339 K344 L345 F346 | L338-Y342 WeakPolarHBondContact O-CB 3.39Å; L338-Y342 PolarHBondContact O-N 3.46Å; K339-Y342 PolarHBondContact O-N 2.82Å; Y342-K344 PolarHBondContact O-N 2.87Å; Y342-L345 PolarHBondContact O-N 3.48Å; Y342-F346 WeakPolarHBondContact O-CB 3.41Å; Y342-F346 PolarHBondContact O-N 2.9Å |
| 343 | T | 98.4 | Very high | 97.7 | Very high | 65 Ų | 65 | 104.2 Ų | 104.2 | 40% | 0.399 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 177.5 | -57.8 | 0 | 0 | 0 | 0 | 111 | K339 D340 L345 F346 E347 | K339-T343 PolarHBondContact O-N 2.91Å; K339-T343 PolarHBondContact O-OG1 3.37Å; D340-T343 PolarHBondContact O-N 3.31Å; T343-L345 PolarHBondContact O-N 3.37Å; T343-F346 WeakPolarHBondContact O-CB 3.26Å; T343-F346 PolarHBondContact O-N 3.22Å; T343-E347 WeakPolarHBondContact O-CG 3.38Å; T343-E347 PolarHBondContact O-N 3.43Å |
| 344 | K | 98.4 | Very high | 97.6 | Very high | 131 Ų | 131 | 104.7 Ų | 104.7 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.9 | -45.8 | 175.9 | -73.7 | 174.6 | -177.6 | 177 | 0 | 112.5 | D340 Y342 F346 E347 D348 | D340-K344 WeakPolarHBondContact O-CG 3.11Å; D340-K344 PolarHBondContact O-N 2.86Å; Y342-K344 PolarHBondContact O-N 2.87Å; K344-F346 PolarHBondContact O-N 3.44Å; K344-E347 WeakPolarHBondContact O-CB 3.23Å; K344-E347 PolarHBondContact O-N 2.89Å; K344-D348 WeakPolarHBondContact O-CB 3.18Å; K344-D348 VanDerWaalsContact O-CG 3.27Å; K344-D348 PolarHBondContact O-N 3.16Å |
| 345 | L | 98.4 | Very high | 97.4 | Very high | 115 Ų | 115 | 104.3 Ų | 104.3 | 60% | 0.602 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.8 | -34.8 | 178 | -175 | 65.9 | 0 | 0 | 0 | 112 | A341 Y342 T343 Y349 | A341-L345 WeakPolarHBondContact O-CB 3.07Å; A341-L345 PolarHBondContact O-N 3.45Å; Y342-L345 PolarHBondContact O-N 3.48Å; T343-L345 PolarHBondContact O-N 3.37Å; L345-Y349 VanDerWaalsContact O-CB 3.31Å; L345-Y349 WeakPolarHBondContact O-CB 3.24Å; L345-Y349 PolarHBondContact O-N 2.97Å |
| 346 | F | 98 | Very high | 97.3 | Very high | 107 Ų | 107 | 107 Ų | 107 | 47% | 0.469 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -69.4 | -40.9 | 175.8 | -176.4 | -99 | 0 | 0 | 0 | 112.1 | Y342 T343 K344 Y349 N350 | Y342-F346 WeakPolarHBondContact O-CB 3.41Å; Y342-F346 PolarHBondContact O-N 2.9Å; T343-F346 WeakPolarHBondContact O-CB 3.26Å; T343-F346 PolarHBondContact O-N 3.22Å; K344-F346 PolarHBondContact O-N 3.44Å; F346-Y349 PolarHBondContact O-N 2.88Å; F346-N350 WeakPolarHBondContact CD1-ND2 3.38Å; F346-N350 WeakPolarHBondContact CE1-ND2 3.49Å; F346-N350 WeakPolarHBondContact CZ-ND2 3.4Å; F346-N350 PolarHBondContact O-N 2.83Å; F346-N350 PolarHBondContact O-ND2 2.88Å |
| 347 | E | 97.8 | Very high | 97.1 | Very high | 103 Ų | 103 | 110.7 Ų | 110.7 | 48% | 0.481 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60 | -52.7 | 171.8 | -71.3 | 168 | 177.1 | 0 | 0 | 110.5 | T343 K344 Y349 N350 E351 | T343-E347 WeakPolarHBondContact O-CG 3.38Å; T343-E347 PolarHBondContact O-N 3.43Å; K344-E347 WeakPolarHBondContact O-CB 3.23Å; K344-E347 PolarHBondContact O-N 2.89Å; E347-Y349 VanDerWaalsContact C-N 3.3Å; E347-Y349 PolarHBondContact O-N 2.97Å; E347-N350 PolarHBondContact O-N 3.35Å; E347-E351 WeakPolarHBondContact O-CG 3.37Å; E347-E351 PolarHBondContact O-N 3.36Å |
| 348 | D | 97.5 | Very high | 97 | Very high | 93 Ų | 93 | 111.5 Ų | 111.5 | 50% | 0.497 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -55.7 | -43.1 | 177.3 | -69.4 | -16.5 | 0 | 0 | 0 | 111.9 | K344 E351 L352 | K344-D348 WeakPolarHBondContact O-CB 3.18Å; K344-D348 VanDerWaalsContact O-CG 3.27Å; K344-D348 PolarHBondContact O-N 3.16Å; D348-E351 PolarHBondContact O-N 3.37Å; D348-L352 WeakPolarHBondContact O-CB 3.47Å; D348-L352 PolarHBondContact O-N 2.85Å |
| 349 | Y | 97.1 | Very high | 96.8 | Very high | 147 Ų | 147 | 110.9 Ų | 110.9 | 58% | 0.576 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.7 | -43.3 | 177.3 | 172 | -97.9 | 0 | 0 | 0 | 112.2 | L345 F346 E347 L352 K353 | L345-Y349 VanDerWaalsContact O-CB 3.31Å; L345-Y349 WeakPolarHBondContact O-CB 3.24Å; L345-Y349 PolarHBondContact O-N 2.97Å; F346-Y349 PolarHBondContact O-N 2.88Å; E347-Y349 VanDerWaalsContact C-N 3.3Å; E347-Y349 PolarHBondContact O-N 2.97Å; Y349-L352 PolarHBondContact O-N 3.48Å; Y349-K353 WeakPolarHBondContact O-CB 3.34Å; Y349-K353 PolarHBondContact O-N 3.18Å |
| 350 | N | 95.5 | Very high | 96.5 | Very high | 59 Ų | 59 | 110.4 Ų | 110.4 | 32% | 0.316 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.1 | -41.5 | 177.8 | -75.2 | -33.6 | 0 | 0 | 0 | 111.5 | F346 E347 K353 E354 | F346-N350 WeakPolarHBondContact CD1-ND2 3.38Å; F346-N350 WeakPolarHBondContact CE1-ND2 3.49Å; F346-N350 WeakPolarHBondContact CZ-ND2 3.4Å; F346-N350 PolarHBondContact O-N 2.83Å; F346-N350 PolarHBondContact O-ND2 2.88Å; E347-N350 PolarHBondContact O-N 3.35Å; N350-K353 WeakPolarHBondContact O-CB 3.45Å; N350-K353 PolarHBondContact O-N 3.41Å; N350-E354 PolarHBondContact O-N 3.5Å |
| 351 | E | 97.2 | Very high | 96.2 | Very high | 136 Ų | 136 | 109.2 Ų | 109.2 | 64% | 0.636 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.4 | -46.7 | 174 | -72.2 | -174.8 | -177.3 | 0 | 0 | 111.3 | E347 D348 K353 E354 E355 | E347-E351 WeakPolarHBondContact O-CG 3.37Å; E347-E351 PolarHBondContact O-N 3.36Å; D348-E351 PolarHBondContact O-N 3.37Å; E351-K353 VanDerWaalsContact C-N 3.29Å; E351-K353 PolarHBondContact O-N 3.23Å; E351-E354 PolarHBondContact O-N 3.36Å; E351-E355 WeakPolarHBondContact O-CB 3.41Å; E351-E355 PolarHBondContact O-N 3.31Å |
| 352 | L | 95.9 | Very high | 95.9 | Very high | 117 Ų | 117 | 111.5 Ų | 111.5 | 61% | 0.613 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.6 | -37.3 | 178.3 | -149.9 | 90 | 0 | 0 | 0 | 112 | D348 Y349 K356 | D348-L352 WeakPolarHBondContact O-CB 3.47Å; D348-L352 PolarHBondContact O-N 2.85Å; Y349-L352 PolarHBondContact O-N 3.48Å; L352-K356 WeakPolarHBondContact O-CB 3.33Å; L352-K356 PolarHBondContact O-N 2.81Å |
| 353 | K | 96.2 | Very high | 95.7 | Very high | 115 Ų | 115 | 109.2 Ų | 109.2 | 50% | 0.5 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.4 | -46.7 | 176.5 | -178.8 | -173.3 | 174.6 | -168.3 | 0 | 111.4 | Y349 N350 E351 K356 K357 | Y349-K353 WeakPolarHBondContact O-CB 3.34Å; Y349-K353 PolarHBondContact O-N 3.18Å; N350-K353 WeakPolarHBondContact O-CB 3.45Å; N350-K353 PolarHBondContact O-N 3.41Å; E351-K353 VanDerWaalsContact C-N 3.29Å; E351-K353 PolarHBondContact O-N 3.23Å; K353-K356 PolarHBondContact O-N 2.65Å; K353-K357 PolarHBondContact O-N 2.75Å |
| 354 | E | 95.9 | Very high | 95.4 | Very high | 103 Ų | 103 | 110.4 Ų | 110.4 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.4 | -36.9 | 176.9 | -69.7 | -54 | 126.4 | 0 | 0 | 111.6 | N350 E351 K356 K357 R358 | N350-E354 PolarHBondContact O-N 3.5Å; E351-E354 PolarHBondContact O-N 3.36Å; E354-K356 VanDerWaalsContact C-N 3.34Å; E354-K356 PolarHBondContact O-N 3.41Å; E354-K357 PolarHBondContact O-N 3.2Å; E354-R358 WeakPolarHBondContact O-CB 3.33Å; E354-R358 PolarHBondContact O-N 3.45Å |
| 355 | E | 95.3 | Very high | 95.2 | Very high | 79 Ų | 79 | 110.3 Ų | 110.3 | 37% | 0.369 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -41.1 | 174.5 | -158.3 | -155.8 | 178.8 | 0 | 0 | 111.4 | E351 R358 K359 | E351-E355 WeakPolarHBondContact O-CB 3.41Å; E351-E355 PolarHBondContact O-N 3.31Å; E355-R358 PolarHBondContact O-N 3.41Å; E355-K359 WeakPolarHBondContact O-CB 3.41Å; E355-K359 WeakPolarHBondContact O-CG 3.48Å; E355-K359 PolarHBondContact O-N 2.86Å; E355-K359 WeakPolarHBondContact OE1-CE 3.45Å; E355-K359 IonicContact OE1-NZ 3.49Å; E355-K359 PolarHBondContact OE1-NZ 2.8Å; E355-K359 IonicContact OE2-NZ 3.71Å; E355-K359 PolarHBondContact OE2-NZ 2.96Å |
| 356 | K | 94.5 | Very high | 95 | Very high | 148 Ų | 148 | 111.9 Ų | 111.9 | 64% | 0.643 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.9 | -46.1 | 174.3 | -175.7 | -179.3 | 177.9 | -176.9 | 0 | 111.3 | L352 K353 E354 R358 K359 E360 | L352-K356 WeakPolarHBondContact O-CB 3.33Å; L352-K356 PolarHBondContact O-N 2.81Å; K353-K356 PolarHBondContact O-N 2.65Å; E354-K356 VanDerWaalsContact C-N 3.34Å; E354-K356 PolarHBondContact O-N 3.41Å; K356-R358 VanDerWaalsContact C-N 3.33Å; K356-R358 PolarHBondContact O-N 3.27Å; K356-K359 PolarHBondContact O-N 3.45Å; K356-E360 WeakPolarHBondContact O-CB 3.34Å; K356-E360 PolarHBondContact O-N 2.95Å |
| 357 | K | 95.1 | Very high | 94.8 | Very high | 124 Ų | 124 | 110.3 Ų | 110.3 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61 | -43 | 176.9 | -172.6 | -178.7 | 176.3 | -170.5 | 0 | 111.4 | K353 E354 E360 S361 | K353-K357 PolarHBondContact O-N 2.75Å; E354-K357 PolarHBondContact O-N 3.2Å; K357-E360 PolarHBondContact O-N 3.46Å; K357-S361 PolarHBondContact O-N 2.79Å; K357-S361 PolarHBondContact O-OG 3.43Å; K357-S361 VanDerWaalsContact O-OG 3.13Å |
| 358 | R | 95.1 | Very high | 94.6 | Very high | 143 Ų | 143 | 110.1 Ų | 110.1 | 54% | 0.54 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.5 | -44.2 | 175.4 | -167.4 | -168.4 | 68.8 | 77 | -0.9 | 111.9 | E354 E355 K356 E360 S361 H362 | E354-R358 WeakPolarHBondContact O-CB 3.33Å; E354-R358 PolarHBondContact O-N 3.45Å; E355-R358 PolarHBondContact O-N 3.41Å; K356-R358 VanDerWaalsContact C-N 3.33Å; K356-R358 PolarHBondContact O-N 3.27Å; R358-E360 VanDerWaalsContact C-N 3.34Å; R358-S361 PolarHBondContact O-N 2.82Å; R358-H362 VanDerWaalsContact O-CB 3.29Å; R358-H362 WeakPolarHBondContact O-CB 3.14Å; R358-H362 PolarHBondContact O-N 3.48Å |
| 359 | K | 93.6 | Very high | 94.5 | Very high | 105 Ų | 105 | 109.7 Ų | 109.7 | 46% | 0.457 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 175.6 | -77.4 | 170.8 | 179.8 | 160.6 | 0 | 111.4 | E355 K356 H362 M363 | E355-K359 WeakPolarHBondContact O-CB 3.41Å; E355-K359 WeakPolarHBondContact O-CG 3.48Å; E355-K359 PolarHBondContact O-N 2.86Å; E355-K359 WeakPolarHBondContact OE1-CE 3.45Å; E355-K359 IonicContact OE1-NZ 3.49Å; E355-K359 PolarHBondContact OE1-NZ 2.8Å; E355-K359 IonicContact OE2-NZ 3.71Å; E355-K359 PolarHBondContact OE2-NZ 2.96Å; K356-K359 PolarHBondContact O-N 3.45Å; K359-H362 PolarHBondContact O-N 2.96Å; K359-M363 WeakPolarHBondContact O-CB 3.34Å; K359-M363 PolarHBondContact O-N 3.37Å |
| 360 | E | 93.2 | Very high | 94.5 | Very high | 118 Ų | 118 | 106.8 Ų | 106.8 | 55% | 0.551 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.8 | -48.1 | 177.1 | -173.2 | 171.6 | -170 | 0 | 0 | 111.6 | K356 K357 R358 H362 M363 V364 | K356-E360 WeakPolarHBondContact O-CB 3.34Å; K356-E360 PolarHBondContact O-N 2.95Å; K357-E360 PolarHBondContact O-N 3.46Å; R358-E360 VanDerWaalsContact C-N 3.34Å; E360-H362 VanDerWaalsContact C-N 3.35Å; E360-H362 PolarHBondContact O-N 2.94Å; E360-M363 PolarHBondContact O-N 3.25Å; E360-M363 VanDerWaalsContact O-N 3.16Å; E360-V364 WeakPolarHBondContact O-CG2 3.35Å; E360-V364 PolarHBondContact O-N 2.87Å |
| 361 | S | 90.9 | Very high | 94.5 | Very high | 73 Ų | 73 | 108 Ų | 108 | 51% | 0.51 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.1 | -44.9 | 174.6 | -59.4 | 0 | 0 | 0 | 0 | 112.1 | K357 R358 M363 V364 E365 | K357-S361 PolarHBondContact O-N 2.79Å; K357-S361 PolarHBondContact O-OG 3.43Å; K357-S361 VanDerWaalsContact O-OG 3.13Å; R358-S361 PolarHBondContact O-N 2.82Å; S361-M363 VanDerWaalsContact C-N 3.31Å; S361-M363 PolarHBondContact O-N 2.76Å; S361-V364 PolarHBondContact O-N 2.91Å; S361-E365 WeakPolarHBondContact O-CB 3.21Å; S361-E365 PolarHBondContact O-N 3.14Å |
| 362 | H | 93.2 | Very high | 94.5 | Very high | 100 Ų | 100 | 106.2 Ų | 106.2 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.3 | -34.2 | 176.9 | -173.9 | -63.6 | 0 | 0 | 0 | 112.2 | R358 K359 E360 R366 | R358-H362 VanDerWaalsContact O-CB 3.29Å; R358-H362 WeakPolarHBondContact O-CB 3.14Å; R358-H362 PolarHBondContact O-N 3.48Å; K359-H362 PolarHBondContact O-N 2.96Å; E360-H362 VanDerWaalsContact C-N 3.35Å; E360-H362 PolarHBondContact O-N 2.94Å; H362-R366 WeakPolarHBondContact O-CB 3.48Å; H362-R366 PolarHBondContact O-N 3.35Å |
| 363 | M | 92.3 | Very high | 94.5 | Very high | 112 Ų | 112 | 105.7 Ų | 105.7 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.3 | -41.5 | 176.3 | -167.4 | 177.6 | 78.1 | 0 | 0 | 111 | K359 E360 S361 R366 N367 | K359-M363 WeakPolarHBondContact O-CB 3.34Å; K359-M363 PolarHBondContact O-N 3.37Å; E360-M363 PolarHBondContact O-N 3.25Å; E360-M363 VanDerWaalsContact O-N 3.16Å; S361-M363 VanDerWaalsContact C-N 3.31Å; S361-M363 PolarHBondContact O-N 2.76Å; M363-R366 PolarHBondContact O-N 2.92Å; M363-N367 WeakPolarHBondContact O-CB 3.48Å; M363-N367 PolarHBondContact O-N 3.26Å; M363-N367 PolarHBondContact O-ND2 3.46Å; M363-N367 PolarHBondContact O-OD1 3.35Å |
| 364 | V | 92.9 | Very high | 94.6 | Very high | 90 Ų | 90 | 106.4 Ų | 106.4 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -46.5 | 174.6 | 173.6 | 0 | 0 | 0 | 0 | 111 | E360 S361 N367 L368 | E360-V364 WeakPolarHBondContact O-CG2 3.35Å; E360-V364 PolarHBondContact O-N 2.87Å; S361-V364 PolarHBondContact O-N 2.91Å; V364-N367 PolarHBondContact O-N 2.96Å; V364-L368 WeakPolarHBondContact O-CB 3.49Å; V364-L368 PolarHBondContact O-N 3.47Å |
| 365 | E | 93.5 | Very high | 94.6 | Very high | 129 Ų | 129 | 110.1 Ų | 110.1 | 60% | 0.603 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62 | -44.7 | 177.2 | -173.2 | 174.4 | -165.3 | 0 | 0 | 111.6 | S361 N367 L368 V369 | S361-E365 WeakPolarHBondContact O-CB 3.21Å; S361-E365 PolarHBondContact O-N 3.14Å; E365-N367 PolarHBondContact O-N 3.25Å; E365-L368 PolarHBondContact O-N 2.82Å; E365-V369 WeakPolarHBondContact O-CG2 3.34Å; E365-V369 PolarHBondContact O-N 3.45Å |
| 366 | R | 94.2 | Very high | 94.7 | Very high | 148 Ų | 148 | 110.3 Ų | 110.3 | 56% | 0.558 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -59.8 | -46.9 | 175.7 | -176.6 | -177.6 | -173.1 | 149.4 | 9.5 | 112.1 | H362 M363 L368 V369 E370 | H362-R366 WeakPolarHBondContact O-CB 3.48Å; H362-R366 PolarHBondContact O-N 3.35Å; M363-R366 PolarHBondContact O-N 2.92Å; R366-L368 VanDerWaalsContact C-N 3.3Å; R366-L368 PolarHBondContact O-N 3.44Å; R366-V369 PolarHBondContact O-N 2.91Å; R366-E370 WeakPolarHBondContact CG-OE1 3.33Å; R366-E370 IonicContact CZ-OE1 3.76Å; R366-E370 IonicContact NE-OE1 3.49Å; R366-E370 PolarHBondContact NE-OE1 2.92Å; R366-E370 IonicContact NH2-OE1 3.5Å; R366-E370 WeakPolarHBondContact O-CG 3.33Å; R366-E370 PolarHBondContact O-N 3.36Å |
| 367 | N | 93.2 | Very high | 94.9 | Very high | 74 Ų | 74 | 105.8 Ų | 105.8 | 40% | 0.396 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.7 | -40.7 | 178.3 | -68.4 | -13 | 0 | 0 | 0 | 111 | M363 V364 E365 E370 D371 | M363-N367 WeakPolarHBondContact O-CB 3.48Å; M363-N367 PolarHBondContact O-N 3.26Å; M363-N367 PolarHBondContact O-ND2 3.46Å; M363-N367 PolarHBondContact O-OD1 3.35Å; V364-N367 PolarHBondContact O-N 2.96Å; E365-N367 PolarHBondContact O-N 3.25Å; N367-E370 PolarHBondContact O-N 3.48Å; N367-D371 WeakPolarHBondContact O-CB 3.46Å; N367-D371 PolarHBondContact O-N 3.42Å |
| 368 | L | 95.1 | Very high | 95 | Very high | 100 Ų | 100 | 102.5 Ų | 102.5 | 52% | 0.524 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -42.4 | 175.5 | 179.8 | 63.5 | 0 | 0 | 0 | 111.8 | V364 E365 R366 D371 L372 | V364-L368 WeakPolarHBondContact O-CB 3.49Å; V364-L368 PolarHBondContact O-N 3.47Å; E365-L368 PolarHBondContact O-N 2.82Å; R366-L368 VanDerWaalsContact C-N 3.3Å; R366-L368 PolarHBondContact O-N 3.44Å; L368-D371 PolarHBondContact O-N 3.46Å; L368-L372 HydrophobicContact CD1-CD1 4.4Å; L368-L372 HydrophobicContact CD1-CG 4.38Å; L368-L372 HydrophobicContact CG-CD1 4.19Å; L368-L372 WeakPolarHBondContact O-CB 3.12Å; L368-L372 VanDerWaalsContact O-CG 3.27Å; L368-L372 WeakPolarHBondContact O-CG 3.27Å; L368-L372 PolarHBondContact O-N 3.31Å |
| 369 | V | 95.4 | Very high | 95.1 | Very high | 83 Ų | 83 | 98.1 Ų | 98.1 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 176.1 | 170.8 | 0 | 0 | 0 | 0 | 111 | E365 R366 L372 Q373 | E365-V369 WeakPolarHBondContact O-CG2 3.34Å; E365-V369 PolarHBondContact O-N 3.45Å; R366-V369 PolarHBondContact O-N 2.91Å; V369-L372 PolarHBondContact O-N 2.84Å; V369-Q373 WeakPolarHBondContact O-CB 3.37Å; V369-Q373 PolarHBondContact O-N 3.17Å |
| 370 | E | 95.8 | Very high | 95.3 | Very high | 87 Ų | 87 | 98.1 Ų | 98.1 | 41% | 0.407 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 176.7 | -74 | 175.6 | -165.7 | 0 | 0 | 111.5 | R366 N367 Q373 Q374 | R366-E370 WeakPolarHBondContact CG-OE1 3.33Å; R366-E370 IonicContact CZ-OE1 3.76Å; R366-E370 IonicContact NE-OE1 3.49Å; R366-E370 PolarHBondContact NE-OE1 2.92Å; R366-E370 IonicContact NH2-OE1 3.5Å; R366-E370 WeakPolarHBondContact O-CG 3.33Å; R366-E370 PolarHBondContact O-N 3.36Å; N367-E370 PolarHBondContact O-N 3.48Å; E370-Q373 PolarHBondContact O-N 2.82Å; E370-Q374 WeakPolarHBondContact O-CG 3.13Å; E370-Q374 PolarHBondContact O-N 3.02Å |
| 371 | D | 96.3 | Very high | 95.5 | Very high | 84 Ų | 84 | 98.6 Ų | 98.6 | 45% | 0.449 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63 | -43.4 | 175.1 | -82.4 | -1.7 | 0 | 0 | 0 | 112.3 | N367 L368 Q374 R375 | N367-D371 WeakPolarHBondContact O-CB 3.46Å; N367-D371 PolarHBondContact O-N 3.42Å; L368-D371 PolarHBondContact O-N 3.46Å; D371-Q374 PolarHBondContact O-N 3.3Å; D371-R375 WeakPolarHBondContact O-CG 3.42Å; D371-R375 PolarHBondContact O-N 2.91Å |
| 372 | L | 96.6 | Very high | 95.8 | Very high | 98 Ų | 98 | 97.5 Ų | 97.5 | 51% | 0.513 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.2 | -40.4 | 176.8 | -74.2 | 174.7 | 0 | 0 | 0 | 111.4 | L368 V369 R375 L376 | L368-L372 HydrophobicContact CD1-CD1 4.4Å; L368-L372 HydrophobicContact CD1-CG 4.38Å; L368-L372 HydrophobicContact CG-CD1 4.19Å; L368-L372 WeakPolarHBondContact O-CB 3.12Å; L368-L372 VanDerWaalsContact O-CG 3.27Å; L368-L372 WeakPolarHBondContact O-CG 3.27Å; L368-L372 PolarHBondContact O-N 3.31Å; V369-L372 PolarHBondContact O-N 2.84Å; L372-R375 PolarHBondContact O-N 3.26Å; L372-L376 WeakPolarHBondContact O-CB 3.37Å; L372-L376 PolarHBondContact O-N 2.88Å |
| 373 | Q | 97.3 | Very high | 96.1 | Very high | 106 Ų | 106 | 98.3 Ų | 98.3 | 50% | 0.495 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.7 | -44.5 | 176.3 | -171.3 | 65.1 | 36.3 | 0 | 0 | 111.1 | V369 E370 R375 L376 T377 | V369-Q373 WeakPolarHBondContact O-CB 3.37Å; V369-Q373 PolarHBondContact O-N 3.17Å; E370-Q373 PolarHBondContact O-N 2.82Å; Q373-R375 VanDerWaalsContact C-N 3.35Å; Q373-R375 PolarHBondContact O-N 2.76Å; Q373-L376 PolarHBondContact O-N 3.47Å; Q373-T377 PolarHBondContact O-N 2.73Å; Q373-T377 PolarHBondContact O-OG1 3.39Å; Q373-T377 VanDerWaalsContact O-OG1 3.14Å |
| 374 | Q | 97.2 | Very high | 96.3 | Very high | 131 Ų | 131 | 95.4 Ų | 95.4 | 61% | 0.612 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.9 | -42.9 | 175.9 | -72.7 | 174.8 | 20.1 | 0 | 0 | 112 | E370 D371 L376 T377 A378 | E370-Q374 WeakPolarHBondContact O-CG 3.13Å; E370-Q374 PolarHBondContact O-N 3.02Å; D371-Q374 PolarHBondContact O-N 3.3Å; Q374-L376 VanDerWaalsContact C-N 3.35Å; Q374-T377 PolarHBondContact O-N 3.09Å; Q374-A378 WeakPolarHBondContact O-CB 3.41Å; Q374-A378 PolarHBondContact O-N 3Å |
| 375 | R | 97 | Very high | 96.6 | Very high | 180 Ų | 180 | 95.8 Ų | 95.8 | 68% | 0.679 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.6 | -39.3 | 176.1 | -73.1 | -179.4 | -173.1 | -174.1 | 4.6 | 112.3 | D371 L372 Q373 A379 | D371-R375 WeakPolarHBondContact O-CG 3.42Å; D371-R375 PolarHBondContact O-N 2.91Å; L372-R375 PolarHBondContact O-N 3.26Å; Q373-R375 VanDerWaalsContact C-N 3.35Å; Q373-R375 PolarHBondContact O-N 2.76Å; R375-A379 WeakPolarHBondContact O-CB 3.45Å; R375-A379 PolarHBondContact O-N 3.41Å |
| 376 | L | 97.4 | Very high | 96.8 | Very high | 84 Ų | 84 | 96.3 Ų | 96.3 | 44% | 0.44 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.8 | -50.7 | 176.7 | -179.6 | 62.7 | 0 | 0 | 0 | 110.5 | L372 Q373 Q374 A378 A379 E380 | L372-L376 WeakPolarHBondContact O-CB 3.37Å; L372-L376 PolarHBondContact O-N 2.88Å; Q373-L376 PolarHBondContact O-N 3.47Å; Q374-L376 VanDerWaalsContact C-N 3.35Å; L376-A378 PolarHBondContact O-N 3.25Å; L376-A379 WeakPolarHBondContact O-CB 3.39Å; L376-A379 PolarHBondContact O-N 3.48Å; L376-A379 VanDerWaalsContact O-N 3.09Å; L376-E380 HydrophobicContact CD1-CG 4.45Å; L376-E380 WeakPolarHBondContact O-CG 3.4Å; L376-E380 PolarHBondContact O-N 3.04Å |
| 377 | T | 97.3 | Very high | 97 | Very high | 52 Ų | 52 | 93.4 Ų | 93.4 | 32% | 0.319 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.8 | -42.8 | 178.9 | -58.1 | 0 | 0 | 0 | 0 | 112 | Q373 Q374 A379 E380 E381 | Q373-T377 PolarHBondContact O-N 2.73Å; Q373-T377 PolarHBondContact O-OG1 3.39Å; Q373-T377 VanDerWaalsContact O-OG1 3.14Å; Q374-T377 PolarHBondContact O-N 3.09Å; T377-A379 VanDerWaalsContact C-N 3.3Å; T377-A379 PolarHBondContact O-N 2.89Å; T377-E380 PolarHBondContact O-N 2.93Å; T377-E381 WeakPolarHBondContact O-CG 2.92Å; T377-E381 PolarHBondContact O-N 2.94Å |
| 378 | A | 97.8 | Very high | 97.2 | Very high | 56 Ų | 56 | 94.7 Ų | 94.7 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.8 | -36.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q374 L376 A382 | Q374-A378 WeakPolarHBondContact O-CB 3.41Å; Q374-A378 PolarHBondContact O-N 3Å; L376-A378 PolarHBondContact O-N 3.25Å; A378-A382 WeakPolarHBondContact O-CB 3.43Å; A378-A382 PolarHBondContact O-N 3.14Å |
| 379 | A | 97.1 | Very high | 97.3 | Very high | 50 Ų | 50 | 95.4 Ų | 95.4 | 41% | 0.413 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.9 | -40.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R375 L376 T377 A382 L383 | R375-A379 WeakPolarHBondContact O-CB 3.45Å; R375-A379 PolarHBondContact O-N 3.41Å; L376-A379 WeakPolarHBondContact O-CB 3.39Å; L376-A379 PolarHBondContact O-N 3.48Å; L376-A379 VanDerWaalsContact O-N 3.09Å; T377-A379 VanDerWaalsContact C-N 3.3Å; T377-A379 PolarHBondContact O-N 2.89Å; A379-A382 PolarHBondContact O-N 3.33Å; A379-L383 WeakPolarHBondContact O-CB 3.4Å; A379-L383 VanDerWaalsContact O-CG 3.31Å; A379-L383 WeakPolarHBondContact O-CG 3.31Å; A379-L383 PolarHBondContact O-N 2.98Å |
| 380 | E | 97.5 | Very high | 97.5 | Very high | 105 Ų | 105 | 95.1 Ų | 95.1 | 49% | 0.491 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.2 | -46 | 175.3 | -72 | 171.2 | 161.7 | 0 | 0 | 111.6 | L376 T377 L383 A384 | L376-E380 HydrophobicContact CD1-CG 4.45Å; L376-E380 WeakPolarHBondContact O-CG 3.4Å; L376-E380 PolarHBondContact O-N 3.04Å; T377-E380 PolarHBondContact O-N 2.93Å; E380-L383 PolarHBondContact O-N 2.98Å; E380-A384 PolarHBondContact O-N 3.43Å |
| 381 | E | 97.7 | Very high | 97.6 | Very high | 128 Ų | 128 | 94.1 Ų | 94.1 | 60% | 0.598 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.3 | -45 | 175 | -72.4 | 176.2 | 177.4 | 0 | 0 | 111.8 | T377 L383 A384 V385 | T377-E381 WeakPolarHBondContact O-CG 2.92Å; T377-E381 PolarHBondContact O-N 2.94Å; E381-L383 VanDerWaalsContact C-N 3.3Å; E381-L383 PolarHBondContact O-N 3.13Å; E381-A384 PolarHBondContact O-N 3.25Å; E381-V385 WeakPolarHBondContact O-CG2 3.45Å; E381-V385 PolarHBondContact O-N 2.84Å |
| 382 | A | 97.8 | Very high | 97.7 | Very high | 50 Ų | 50 | 94.5 Ų | 94.5 | 41% | 0.413 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.2 | -36.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A378 A379 K386 | A378-A382 WeakPolarHBondContact O-CB 3.43Å; A378-A382 PolarHBondContact O-N 3.14Å; A379-A382 PolarHBondContact O-N 3.33Å; A382-K386 WeakPolarHBondContact O-CG 3.38Å; A382-K386 PolarHBondContact O-N 3.47Å |
| 383 | L | 97.9 | Very high | 97.7 | Very high | 117 Ų | 117 | 94.6 Ų | 94.6 | 61% | 0.613 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.7 | -43.2 | 173.4 | -76.5 | 172.5 | 0 | 0 | 0 | 111.5 | A379 E380 E381 V385 K386 Q387 | A379-L383 WeakPolarHBondContact O-CB 3.4Å; A379-L383 VanDerWaalsContact O-CG 3.31Å; A379-L383 WeakPolarHBondContact O-CG 3.31Å; A379-L383 PolarHBondContact O-N 2.98Å; E380-L383 PolarHBondContact O-N 2.98Å; E381-L383 VanDerWaalsContact C-N 3.3Å; E381-L383 PolarHBondContact O-N 3.13Å; L383-V385 PolarHBondContact O-N 3.35Å; L383-K386 PolarHBondContact O-N 3.48Å; L383-Q387 WeakPolarHBondContact O-CB 3.34Å; L383-Q387 PolarHBondContact O-N 2.92Å |
| 384 | A | 98.1 | Very high | 97.8 | Very high | 51 Ų | 51 | 95.4 Ų | 95.4 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | E380 E381 K386 Q387 N388 | E380-A384 PolarHBondContact O-N 3.43Å; E381-A384 PolarHBondContact O-N 3.25Å; A384-K386 PolarHBondContact O-N 3.26Å; A384-Q387 PolarHBondContact O-N 3.4Å; A384-N388 PolarHBondContact O-N 3.05Å |
| 385 | V | 98.3 | Very high | 97.8 | Very high | 99 Ų | 99 | 95.9 Ų | 95.9 | 60% | 0.6 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.6 | -44.8 | 175.1 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | E381 L383 Q387 N388 K389 | E381-V385 WeakPolarHBondContact O-CG2 3.45Å; E381-V385 PolarHBondContact O-N 2.84Å; L383-V385 PolarHBondContact O-N 3.35Å; V385-Q387 VanDerWaalsContact C-N 3.32Å; V385-Q387 PolarHBondContact O-N 2.91Å; V385-N388 PolarHBondContact O-N 3.03Å; V385-K389 PolarHBondContact O-N 3.21Å |
| 386 | K | 97.9 | Very high | 97.8 | Very high | 139 Ų | 139 | 92.9 Ų | 92.9 | 60% | 0.604 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.9 | -40 | 175.7 | -75.9 | 179 | 179.9 | -179 | 0 | 111.8 | A382 L383 A384 K389 I390 | A382-K386 WeakPolarHBondContact O-CG 3.38Å; A382-K386 PolarHBondContact O-N 3.47Å; L383-K386 PolarHBondContact O-N 3.48Å; A384-K386 PolarHBondContact O-N 3.26Å; K386-K389 PolarHBondContact O-N 3.4Å; K386-I390 VanDerWaalsContact O-CG1 3.29Å; K386-I390 WeakPolarHBondContact O-CG1 3.37Å; K386-I390 PolarHBondContact O-N 3.03Å |
| 387 | Q | 98 | Very high | 97.8 | Very high | 87 Ų | 87 | 94.2 Ų | 94.2 | 41% | 0.407 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.9 | -47.5 | 177.8 | -174.5 | 55.2 | 51.2 | 0 | 0 | 111.3 | L383 A384 V385 K389 I390 D391 | L383-Q387 WeakPolarHBondContact O-CB 3.34Å; L383-Q387 PolarHBondContact O-N 2.92Å; A384-Q387 PolarHBondContact O-N 3.4Å; V385-Q387 VanDerWaalsContact C-N 3.32Å; V385-Q387 PolarHBondContact O-N 2.91Å; Q387-K389 VanDerWaalsContact C-N 3.3Å; Q387-K389 PolarHBondContact O-N 3.44Å; Q387-I390 WeakPolarHBondContact O-CB 3.47Å; Q387-I390 PolarHBondContact O-N 2.93Å; Q387-I390 VanDerWaalsContact O-N 3.13Å; Q387-D391 PolarHBondContact NE2-OD1 2.96Å; Q387-D391 VanDerWaalsContact NE2-OD1 3.14Å; Q387-D391 PolarHBondContact NE2-OD2 3.46Å; Q387-D391 PolarHBondContact O-N 3.5Å |
| 388 | N | 97.8 | Very high | 97.8 | Very high | 101 Ų | 101 | 98.3 Ų | 98.3 | 54% | 0.54 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -57.4 | -43.7 | 174.6 | -69.4 | -17.3 | 0 | 0 | 0 | 111.5 | A384 V385 I390 D391 D392 | A384-N388 PolarHBondContact O-N 3.05Å; V385-N388 PolarHBondContact O-N 3.03Å; N388-I390 VanDerWaalsContact C-N 3.33Å; N388-I390 PolarHBondContact O-N 3.16Å; N388-D391 PolarHBondContact O-N 2.95Å; N388-D391 VanDerWaalsContact O-N 3.16Å; N388-D392 PolarHBondContact O-N 2.93Å |
| 389 | K | 98.2 | Very high | 97.8 | Very high | 115 Ų | 115 | 99.9 Ų | 99.9 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.5 | -37.5 | 178.2 | -175.8 | 56.2 | -180 | 169.7 | 0 | 112.7 | V385 K386 Q387 D391 M393 | V385-K389 PolarHBondContact O-N 3.21Å; K386-K389 PolarHBondContact O-N 3.4Å; Q387-K389 VanDerWaalsContact C-N 3.3Å; Q387-K389 PolarHBondContact O-N 3.44Å; K389-D391 VanDerWaalsContact C-N 3.31Å; K389-M393 HydrophobicContact CD-CG 4.43Å; K389-M393 HydrophobicContact CG-SD 4.3Å; K389-M393 WeakPolarHBondContact O-CB 3.32Å; K389-M393 VanDerWaalsContact O-CG 3.25Å; K389-M393 WeakPolarHBondContact O-CG 3.29Å; K389-M393 PolarHBondContact O-N 3.27Å |
| 390 | I | 97.7 | Very high | 97.8 | Very high | 77 Ų | 77 | 102.2 Ų | 102.2 | 40% | 0.395 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.5 | -43.1 | 174.5 | -72.8 | 164.7 | 0 | 0 | 0 | 110 | K386 Q387 N388 M393 K394 | K386-I390 VanDerWaalsContact O-CG1 3.29Å; K386-I390 WeakPolarHBondContact O-CG1 3.37Å; K386-I390 PolarHBondContact O-N 3.03Å; Q387-I390 WeakPolarHBondContact O-CB 3.47Å; Q387-I390 PolarHBondContact O-N 2.93Å; Q387-I390 VanDerWaalsContact O-N 3.13Å; N388-I390 VanDerWaalsContact C-N 3.33Å; N388-I390 PolarHBondContact O-N 3.16Å; I390-M393 PolarHBondContact O-N 3.25Å; I390-K394 HydrophobicContact CG2-CD 4.19Å; I390-K394 VanDerWaalsContact CG2-CE 3.49Å; I390-K394 HydrophobicContact CG2-CG 4.46Å; I390-K394 WeakPolarHBondContact O-CG 3.25Å; I390-K394 PolarHBondContact O-N 2.87Å |
| 391 | D | 98.1 | Very high | 97.8 | Very high | 66 Ų | 66 | 101.9 Ų | 101.9 | 35% | 0.353 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.5 | -38.6 | -178.1 | -64 | -30.6 | 0 | 0 | 0 | 111.9 | Q387 N388 K389 M393 K394 Q395 | Q387-D391 PolarHBondContact NE2-OD1 2.96Å; Q387-D391 VanDerWaalsContact NE2-OD1 3.14Å; Q387-D391 PolarHBondContact NE2-OD2 3.46Å; Q387-D391 PolarHBondContact O-N 3.5Å; N388-D391 PolarHBondContact O-N 2.95Å; N388-D391 VanDerWaalsContact O-N 3.16Å; K389-D391 VanDerWaalsContact C-N 3.31Å; D391-M393 VanDerWaalsContact C-N 3.35Å; D391-M393 PolarHBondContact O-N 3.42Å; D391-K394 PolarHBondContact O-N 3.16Å; D391-K394 IonicContact OD1-NZ 2.69Å; D391-K394 PolarHBondContact OD1-NZ 3.3Å; D391-K394 VanDerWaalsContact OD1-NZ 3.16Å; D391-Q395 PolarHBondContact O-N 3.01Å |
| 392 | D | 98.1 | Very high | 97.7 | Very high | 92 Ų | 92 | 101.4 Ų | 101.4 | 49% | 0.492 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.4 | -47.7 | 169.3 | -69.6 | -18.3 | 0 | 0 | 0 | 111.3 | N388 K394 Q395 E396 | N388-D392 PolarHBondContact O-N 2.93Å; D392-K394 VanDerWaalsContact C-N 3.34Å; D392-K394 PolarHBondContact O-N 3.33Å; D392-Q395 PolarHBondContact O-N 2.93Å; D392-E396 PolarHBondContact O-N 3.46Å |
| 393 | M | 98 | Very high | 97.6 | Very high | 101 Ų | 101 | 102.5 Ų | 102.5 | 50% | 0.498 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64 | -38.7 | 178.9 | -75.1 | 178.1 | 64.2 | 0 | 0 | 111.9 | K389 I390 D391 E396 M397 | K389-M393 HydrophobicContact CD-CG 4.43Å; K389-M393 HydrophobicContact CG-SD 4.3Å; K389-M393 WeakPolarHBondContact O-CB 3.32Å; K389-M393 VanDerWaalsContact O-CG 3.25Å; K389-M393 WeakPolarHBondContact O-CG 3.29Å; K389-M393 PolarHBondContact O-N 3.27Å; I390-M393 PolarHBondContact O-N 3.25Å; D391-M393 VanDerWaalsContact C-N 3.35Å; D391-M393 PolarHBondContact O-N 3.42Å; M393-E396 PolarHBondContact O-N 3Å; M393-M397 WeakPolarHBondContact O-CB 2.91Å; M393-M397 VanDerWaalsContact O-CG 3.22Å; M393-M397 WeakPolarHBondContact O-CG 3.22Å; M393-M397 PolarHBondContact O-N 2.99Å |
| 394 | K | 98.1 | Very high | 97.6 | Very high | 122 Ų | 122 | 102.3 Ų | 102.3 | 53% | 0.53 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 174.6 | -75.4 | 172.2 | -173.9 | 161.3 | 0 | 111.6 | I390 D391 D392 M397 F398 | I390-K394 HydrophobicContact CG2-CD 4.19Å; I390-K394 VanDerWaalsContact CG2-CE 3.49Å; I390-K394 HydrophobicContact CG2-CG 4.46Å; I390-K394 WeakPolarHBondContact O-CG 3.25Å; I390-K394 PolarHBondContact O-N 2.87Å; D391-K394 PolarHBondContact O-N 3.16Å; D391-K394 IonicContact OD1-NZ 2.69Å; D391-K394 PolarHBondContact OD1-NZ 3.3Å; D391-K394 VanDerWaalsContact OD1-NZ 3.16Å; D392-K394 VanDerWaalsContact C-N 3.34Å; D392-K394 PolarHBondContact O-N 3.33Å; K394-M397 PolarHBondContact O-N 3.41Å; K394-F398 WeakPolarHBondContact O-CB 3.37Å; K394-F398 PolarHBondContact O-N 2.95Å |
| 395 | Q | 97.9 | Very high | 97.4 | Very high | 141 Ų | 141 | 106 Ų | 106 | 66% | 0.659 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64 | -43.6 | 176.8 | -175.1 | 179.8 | 2.2 | 0 | 0 | 111.4 | D391 D392 F398 Q399 | D391-Q395 PolarHBondContact O-N 3.01Å; D392-Q395 PolarHBondContact O-N 2.93Å; Q395-F398 PolarHBondContact O-N 3.34Å; Q395-Q399 PolarHBondContact O-N 3.41Å |
| 396 | E | 98 | Very high | 97.3 | Very high | 118 Ų | 118 | 104.5 Ų | 104.5 | 55% | 0.551 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.7 | -45.9 | 175.4 | -173.3 | 179 | 179.5 | 0 | 0 | 111.4 | D392 M393 F398 Q399 K400 | D392-E396 PolarHBondContact O-N 3.46Å; M393-E396 PolarHBondContact O-N 3Å; E396-F398 PolarHBondContact O-N 3.24Å; E396-Q399 PolarHBondContact O-N 3.37Å; E396-K400 HydrophobicContact CG-CG 4.45Å; E396-K400 WeakPolarHBondContact O-CB 3.42Å; E396-K400 VanDerWaalsContact O-CG 3.27Å; E396-K400 WeakPolarHBondContact O-CG 3.3Å; E396-K400 PolarHBondContact O-N 3.39Å |
| 397 | M | 97.1 | Very high | 97.3 | Very high | 112 Ų | 112 | 102.8 Ų | 102.8 | 55% | 0.552 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -56.9 | -47.7 | 175.9 | -77.9 | -63.4 | -53.6 | 0 | 0 | 111.7 | M393 K394 Q399 K400 E401 | M393-M397 WeakPolarHBondContact O-CB 2.91Å; M393-M397 VanDerWaalsContact O-CG 3.22Å; M393-M397 WeakPolarHBondContact O-CG 3.22Å; M393-M397 PolarHBondContact O-N 2.99Å; K394-M397 PolarHBondContact O-N 3.41Å; M397-Q399 VanDerWaalsContact C-N 3.34Å; M397-Q399 PolarHBondContact O-N 2.64Å; M397-K400 PolarHBondContact O-N 3Å; M397-E401 WeakPolarHBondContact O-CG 3.34Å; M397-E401 PolarHBondContact O-N 2.78Å |
| 398 | F | 97.6 | Very high | 97.2 | Very high | 138 Ų | 138 | 101.9 Ų | 101.9 | 61% | 0.605 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.8 | -41 | 177.8 | -178.8 | -100.7 | 0 | 0 | 0 | 112.6 | K394 Q395 E396 K400 E401 K402 | K394-F398 WeakPolarHBondContact O-CB 3.37Å; K394-F398 PolarHBondContact O-N 2.95Å; Q395-F398 PolarHBondContact O-N 3.34Å; E396-F398 PolarHBondContact O-N 3.24Å; F398-K400 VanDerWaalsContact C-N 3.35Å; F398-E401 PolarHBondContact O-N 3.12Å; F398-K402 PolarHBondContact O-N 3.42Å; F398-K402 VanDerWaalsContact O-N 3.12Å |
| 399 | Q | 97.4 | Very high | 97.1 | Very high | 89 Ų | 89 | 101.5 Ų | 101.5 | 42% | 0.416 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 176.4 | -179.4 | 56.7 | 38.1 | 0 | 0 | 111.4 | Q395 E396 M397 K402 E403 | Q395-Q399 PolarHBondContact O-N 3.41Å; E396-Q399 PolarHBondContact O-N 3.37Å; M397-Q399 VanDerWaalsContact C-N 3.34Å; M397-Q399 PolarHBondContact O-N 2.64Å; Q399-K402 PolarHBondContact O-N 3.17Å; Q399-E403 PolarHBondContact NE2-OE1 3.44Å; Q399-E403 WeakPolarHBondContact O-CG 3.45Å; Q399-E403 PolarHBondContact O-N 3.38Å |
| 400 | K | 96.4 | Very high | 97.1 | Very high | 98 Ų | 98 | 102 Ų | 102 | 43% | 0.426 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.6 | -37.5 | 176 | -68.5 | -72.1 | 160.9 | -153.5 | 0 | 112.3 | E396 M397 F398 E403 L404 | E396-K400 HydrophobicContact CG-CG 4.45Å; E396-K400 WeakPolarHBondContact O-CB 3.42Å; E396-K400 VanDerWaalsContact O-CG 3.27Å; E396-K400 WeakPolarHBondContact O-CG 3.3Å; E396-K400 PolarHBondContact O-N 3.39Å; M397-K400 PolarHBondContact O-N 3Å; F398-K400 VanDerWaalsContact C-N 3.35Å; K400-E403 IonicContact NZ-OE1 3.94Å; K400-E403 IonicContact NZ-OE2 2.76Å; K400-E403 PolarHBondContact NZ-OE2 3.23Å; K400-E403 PolarHBondContact O-N 3.07Å; K400-L404 WeakPolarHBondContact O-CG 3.3Å; K400-L404 PolarHBondContact O-N 2.88Å |
| 401 | E | 96.9 | Very high | 97.1 | Very high | 98 Ų | 98 | 103.9 Ų | 103.9 | 46% | 0.458 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.3 | -46.1 | 173.2 | -75.7 | 169.7 | 173.6 | 0 | 0 | 111.2 | M397 F398 E403 L404 E405 | M397-E401 WeakPolarHBondContact O-CG 3.34Å; M397-E401 PolarHBondContact O-N 2.78Å; F398-E401 PolarHBondContact O-N 3.12Å; E401-E403 VanDerWaalsContact C-N 3.35Å; E401-E403 PolarHBondContact O-N 2.86Å; E401-L404 WeakPolarHBondContact O-CB 3.49Å; E401-L404 PolarHBondContact O-N 3.21Å; E401-E405 WeakPolarHBondContact O-CG 3.3Å; E401-E405 PolarHBondContact O-N 3.11Å |
| 402 | K | 96.4 | Very high | 97 | Very high | 118 Ų | 118 | 103.1 Ų | 103.1 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.1 | -39.5 | 175.4 | -175.3 | -178.3 | 177.4 | -177.2 | 0 | 113.2 | F398 Q399 E405 T406 | F398-K402 PolarHBondContact O-N 3.42Å; F398-K402 VanDerWaalsContact O-N 3.12Å; Q399-K402 PolarHBondContact O-N 3.17Å; K402-E405 PolarHBondContact O-N 3.37Å; K402-T406 PolarHBondContact O-N 3.44Å; K402-T406 PolarHBondContact O-OG1 3.3Å |
| 403 | E | 96.5 | Very high | 97 | Very high | 74 Ų | 74 | 102.5 Ų | 102.5 | 35% | 0.346 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 174.6 | -74.1 | 167.9 | -162.7 | 0 | 0 | 111.2 | Q399 K400 E401 T406 I407 | Q399-E403 PolarHBondContact NE2-OE1 3.44Å; Q399-E403 WeakPolarHBondContact O-CG 3.45Å; Q399-E403 PolarHBondContact O-N 3.38Å; K400-E403 IonicContact NZ-OE1 3.94Å; K400-E403 IonicContact NZ-OE2 2.76Å; K400-E403 PolarHBondContact NZ-OE2 3.23Å; K400-E403 PolarHBondContact O-N 3.07Å; E401-E403 VanDerWaalsContact C-N 3.35Å; E401-E403 PolarHBondContact O-N 2.86Å; E403-T406 WeakPolarHBondContact O-CB 3.47Å; E403-T406 PolarHBondContact O-N 3.38Å; E403-I407 WeakPolarHBondContact O-CG1 3.27Å; E403-I407 PolarHBondContact O-N 2.9Å |
| 404 | L | 96.3 | Very high | 97 | Very high | 112 Ų | 112 | 100.4 Ų | 100.4 | 59% | 0.586 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.9 | -41.6 | 176.3 | -74.9 | 171.5 | 0 | 0 | 0 | 112.4 | K400 E401 T406 I407 S408 | K400-L404 WeakPolarHBondContact O-CG 3.3Å; K400-L404 PolarHBondContact O-N 2.88Å; E401-L404 WeakPolarHBondContact O-CB 3.49Å; E401-L404 PolarHBondContact O-N 3.21Å; L404-T406 VanDerWaalsContact C-N 3.27Å; L404-T406 PolarHBondContact O-N 3.15Å; L404-I407 PolarHBondContact O-N 3.24Å; L404-S408 PolarHBondContact O-N 2.97Å |
| 405 | E | 95.8 | Very high | 96.9 | Very high | 130 Ų | 130 | 99.9 Ų | 99.9 | 61% | 0.607 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -56.8 | -43.8 | 172.9 | -72.5 | 176.2 | 179.6 | 0 | 0 | 111 | E401 K402 I407 S408 V409 | E401-E405 WeakPolarHBondContact O-CG 3.3Å; E401-E405 PolarHBondContact O-N 3.11Å; K402-E405 PolarHBondContact O-N 3.37Å; E405-I407 PolarHBondContact O-N 3.34Å; E405-S408 PolarHBondContact O-N 3.43Å; E405-S408 PolarHBondContact O-OG 3.33Å; E405-V409 WeakPolarHBondContact O-CG2 3.3Å; E405-V409 PolarHBondContact O-N 3.11Å |
| 406 | T | 96.4 | Very high | 96.9 | Very high | 66 Ų | 66 | 97 Ų | 97 | 41% | 0.405 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.3 | -42.5 | 178.6 | -53.2 | 0 | 0 | 0 | 0 | 111.9 | K402 E403 L404 S408 V409 F410 | K402-T406 PolarHBondContact O-N 3.44Å; K402-T406 PolarHBondContact O-OG1 3.3Å; E403-T406 WeakPolarHBondContact O-CB 3.47Å; E403-T406 PolarHBondContact O-N 3.38Å; L404-T406 VanDerWaalsContact C-N 3.27Å; L404-T406 PolarHBondContact O-N 3.15Å; T406-S408 VanDerWaalsContact C-N 3.31Å; T406-S408 PolarHBondContact O-N 3.08Å; T406-V409 PolarHBondContact O-N 3.49Å; T406-F410 HydrophobicContact CG2-CD2 3.98Å; T406-F410 HydrophobicContact CG2-CE2 3.52Å; T406-F410 HydrophobicContact CG2-CZ 4.2Å; T406-F410 WeakPolarHBondContact O-CD2 3.01Å; T406-F410 PolarHBondContact O-N 2.83Å; T406-F410 VanDerWaalsContact O-N 3.08Å |
| 407 | I | 96.3 | Very high | 96.9 | Very high | 103 Ų | 103 | 98.2 Ų | 98.2 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 176 | -67.7 | 165.8 | 0 | 0 | 0 | 110.6 | E403 L404 E405 V409 F410 Q411 | E403-I407 WeakPolarHBondContact O-CG1 3.27Å; E403-I407 PolarHBondContact O-N 2.9Å; L404-I407 PolarHBondContact O-N 3.24Å; E405-I407 PolarHBondContact O-N 3.34Å; I407-V409 VanDerWaalsContact C-N 3.28Å; I407-V409 PolarHBondContact O-N 3.18Å; I407-F410 PolarHBondContact O-N 3.49Å; I407-Q411 WeakPolarHBondContact O-CB 3.5Å; I407-Q411 PolarHBondContact O-N 3.19Å |
| 408 | S | 95.5 | Very high | 97 | Very high | 68 Ų | 68 | 95.6 Ų | 95.6 | 48% | 0.476 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.7 | -37.6 | 178.5 | 77.3 | 0 | 0 | 0 | 0 | 112.4 | L404 E405 T406 Q411 A412 | L404-S408 PolarHBondContact O-N 2.97Å; E405-S408 PolarHBondContact O-N 3.43Å; E405-S408 PolarHBondContact O-OG 3.33Å; T406-S408 VanDerWaalsContact C-N 3.31Å; T406-S408 PolarHBondContact O-N 3.08Å; S408-Q411 PolarHBondContact O-N 2.64Å; S408-A412 PolarHBondContact O-N 3.25Å |
| 409 | V | 97.1 | Very high | 97 | Very high | 93 Ų | 93 | 92.5 Ų | 92.5 | 56% | 0.564 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.1 | -46.3 | 175.1 | 174.3 | 0 | 0 | 0 | 0 | 111.1 | E405 T406 I407 Q411 A412 Q413 | E405-V409 WeakPolarHBondContact O-CG2 3.3Å; E405-V409 PolarHBondContact O-N 3.11Å; T406-V409 PolarHBondContact O-N 3.49Å; I407-V409 VanDerWaalsContact C-N 3.28Å; I407-V409 PolarHBondContact O-N 3.18Å; V409-Q411 VanDerWaalsContact C-N 3.3Å; V409-Q411 PolarHBondContact O-N 3.42Å; V409-A412 PolarHBondContact O-N 3.08Å; V409-Q413 WeakPolarHBondContact O-CB 3.38Å; V409-Q413 PolarHBondContact O-N 2.95Å |
| 410 | F | 97.4 | Very high | 97 | Very high | 126 Ų | 126 | 92.5 Ų | 92.5 | 55% | 0.553 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -63.8 | -36.1 | 177.4 | -72.4 | -45.3 | 0 | 0 | 0 | 112.7 | T406 I407 Q413 A414 | T406-F410 HydrophobicContact CG2-CD2 3.98Å; T406-F410 HydrophobicContact CG2-CE2 3.52Å; T406-F410 HydrophobicContact CG2-CZ 4.2Å; T406-F410 WeakPolarHBondContact O-CD2 3.01Å; T406-F410 PolarHBondContact O-N 2.83Å; T406-F410 VanDerWaalsContact O-N 3.08Å; I407-F410 PolarHBondContact O-N 3.49Å; F410-Q413 PolarHBondContact O-N 3.18Å; F410-A414 WeakPolarHBondContact O-CB 3.21Å; F410-A414 PolarHBondContact O-N 2.98Å |
| 411 | Q | 97.4 | Very high | 97.1 | Very high | 116 Ų | 116 | 94.1 Ų | 94.1 | 54% | 0.542 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63 | -48.4 | 174.4 | -174.7 | 179.1 | -18.2 | 0 | 0 | 111 | I407 S408 V409 Q413 A414 E415 | I407-Q411 WeakPolarHBondContact O-CB 3.5Å; I407-Q411 PolarHBondContact O-N 3.19Å; S408-Q411 PolarHBondContact O-N 2.64Å; V409-Q411 VanDerWaalsContact C-N 3.3Å; V409-Q411 PolarHBondContact O-N 3.42Å; Q411-Q413 VanDerWaalsContact C-N 3.3Å; Q411-Q413 PolarHBondContact O-N 2.9Å; Q411-A414 PolarHBondContact O-N 3.28Å; Q411-E415 PolarHBondContact NE2-OE1 2.99Å; Q411-E415 WeakPolarHBondContact O-CG 3.37Å; Q411-E415 PolarHBondContact O-N 2.76Å |
| 412 | A | 96.9 | Very high | 97.1 | Very high | 50 Ų | 50 | 96.9 Ų | 96.9 | 41% | 0.413 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.2 | -40.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | S408 V409 E415 V416 | S408-A412 PolarHBondContact O-N 3.25Å; V409-A412 PolarHBondContact O-N 3.08Å; A412-E415 PolarHBondContact O-N 3.18Å; A412-V416 WeakPolarHBondContact O-CG2 3.5Å; A412-V416 PolarHBondContact O-N 2.87Å |
| 413 | Q | 97.6 | Very high | 97.2 | Very high | 79 Ų | 79 | 94 Ų | 94 | 37% | 0.369 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.7 | -44 | 175.3 | -175.2 | 179.1 | 17 | 0 | 0 | 111.9 | V409 F410 Q411 V416 Y417 | V409-Q413 WeakPolarHBondContact O-CB 3.38Å; V409-Q413 PolarHBondContact O-N 2.95Å; F410-Q413 PolarHBondContact O-N 3.18Å; Q411-Q413 VanDerWaalsContact C-N 3.3Å; Q411-Q413 PolarHBondContact O-N 2.9Å; Q413-V416 PolarHBondContact O-N 3.36Å; Q413-Y417 HydrophobicContact CG-CD2 3.94Å; Q413-Y417 HydrophobicContact CG-CE2 3.46Å; Q413-Y417 VanDerWaalsContact CG-CE2 3.46Å; Q413-Y417 PolarHBondContact NE2-OH 3.5Å; Q413-Y417 WeakPolarHBondContact O-CD2 3.48Å; Q413-Y417 PolarHBondContact O-N 3.24Å |
| 414 | A | 97.4 | Very high | 97.3 | Very high | 58 Ų | 58 | 94.8 Ų | 94.8 | 48% | 0.479 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F410 Q411 Y417 S418 | F410-A414 WeakPolarHBondContact O-CB 3.21Å; F410-A414 PolarHBondContact O-N 2.98Å; Q411-A414 PolarHBondContact O-N 3.28Å; A414-Y417 PolarHBondContact O-N 3.21Å; A414-S418 WeakPolarHBondContact O-CB 3.46Å; A414-S418 PolarHBondContact O-N 2.91Å; A414-S418 PolarHBondContact O-OG 2.58Å |
| 415 | E | 97.6 | Very high | 97.3 | Very high | 111 Ų | 111 | 96.1 Ų | 96.1 | 52% | 0.519 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.6 | -47 | 175.4 | -73.5 | 173.3 | -165.4 | 0 | 0 | 111.3 | Q411 A412 S418 S419 | Q411-E415 PolarHBondContact NE2-OE1 2.99Å; Q411-E415 WeakPolarHBondContact O-CG 3.37Å; Q411-E415 PolarHBondContact O-N 2.76Å; A412-E415 PolarHBondContact O-N 3.18Å; E415-S418 PolarHBondContact O-N 2.82Å; E415-S418 PolarHBondContact O-OG 3.03Å; E415-S419 WeakPolarHBondContact O-CB 3.41Å; E415-S419 PolarHBondContact O-N 3.27Å |
| 416 | V | 97.8 | Very high | 97.4 | Very high | 80 Ų | 80 | 92 Ų | 92 | 49% | 0.485 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60 | -49.8 | 176.1 | 172.8 | 0 | 0 | 0 | 0 | 111.3 | A412 Q413 S418 S419 D420 | A412-V416 WeakPolarHBondContact O-CG2 3.5Å; A412-V416 PolarHBondContact O-N 2.87Å; Q413-V416 PolarHBondContact O-N 3.36Å; V416-S418 VanDerWaalsContact C-N 3.31Å; V416-S418 PolarHBondContact O-N 2.86Å; V416-S419 WeakPolarHBondContact O-CB 3.33Å; V416-S419 PolarHBondContact O-N 3.44Å; V416-D420 WeakPolarHBondContact O-CB 3.49Å; V416-D420 PolarHBondContact O-N 3.49Å |
| 417 | Y | 98.1 | Very high | 97.5 | Very high | 144 Ų | 144 | 91.4 Ų | 91.4 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.8 | -38.2 | 178.1 | -70.6 | -30.3 | 0 | 0 | 0 | 113.1 | Q413 A414 F421 | Q413-Y417 HydrophobicContact CG-CD2 3.94Å; Q413-Y417 HydrophobicContact CG-CE2 3.46Å; Q413-Y417 VanDerWaalsContact CG-CE2 3.46Å; Q413-Y417 PolarHBondContact NE2-OH 3.5Å; Q413-Y417 WeakPolarHBondContact O-CD2 3.48Å; Q413-Y417 PolarHBondContact O-N 3.24Å; A414-Y417 PolarHBondContact O-N 3.21Å; Y417-F421 VanDerWaalsContact O-CB 3.26Å; Y417-F421 WeakPolarHBondContact O-CB 3.2Å; Y417-F421 PolarHBondContact O-N 3.25Å |
| 418 | S | 98 | Very high | 97.6 | Very high | 56 Ų | 56 | 93.4 Ų | 93.4 | 39% | 0.392 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -44 | 175.9 | 75 | 0 | 0 | 0 | 0 | 111.1 | A414 E415 V416 F421 Y422 | A414-S418 WeakPolarHBondContact O-CB 3.46Å; A414-S418 PolarHBondContact O-N 2.91Å; A414-S418 PolarHBondContact O-OG 2.58Å; E415-S418 PolarHBondContact O-N 2.82Å; E415-S418 PolarHBondContact O-OG 3.03Å; V416-S418 VanDerWaalsContact C-N 3.31Å; V416-S418 PolarHBondContact O-N 2.86Å; S418-F421 PolarHBondContact O-N 3.38Å; S418-Y422 WeakPolarHBondContact O-CD2 3.41Å; S418-Y422 PolarHBondContact O-N 3.5Å |
| 419 | S | 97.8 | Very high | 97.6 | Very high | 73 Ų | 73 | 94.5 Ų | 94.5 | 51% | 0.51 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.5 | -47.9 | 176.2 | 178 | 0 | 0 | 0 | 0 | 111.6 | E415 V416 F421 Y422 A423 | E415-S419 WeakPolarHBondContact O-CB 3.41Å; E415-S419 PolarHBondContact O-N 3.27Å; V416-S419 WeakPolarHBondContact O-CB 3.33Å; V416-S419 PolarHBondContact O-N 3.44Å; S419-F421 VanDerWaalsContact C-N 3.33Å; S419-F421 PolarHBondContact O-N 3.35Å; S419-Y422 PolarHBondContact O-N 3.27Å; S419-A423 WeakPolarHBondContact O-CB 3.38Å; S419-A423 PolarHBondContact O-N 3.05Å |
| 420 | D | 97.7 | Very high | 97.6 | Very high | 90 Ų | 90 | 96.5 Ų | 96.5 | 48% | 0.481 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 177.9 | -72.6 | -10.5 | 0 | 0 | 0 | 111.3 | V416 A423 E424 | V416-D420 WeakPolarHBondContact O-CB 3.49Å; V416-D420 PolarHBondContact O-N 3.49Å; D420-A423 PolarHBondContact O-N 2.95Å; D420-E424 VanDerWaalsContact O-CB 3.23Å; D420-E424 WeakPolarHBondContact O-CB 3.15Å; D420-E424 PolarHBondContact O-N 3.46Å |
| 421 | F | 98.1 | Very high | 97.6 | Very high | 131 Ų | 131 | 95.8 Ų | 95.8 | 58% | 0.575 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61 | -45.2 | 175.3 | 178 | -95.9 | 0 | 0 | 0 | 112.1 | Y417 S418 S419 R425 | Y417-F421 VanDerWaalsContact O-CB 3.26Å; Y417-F421 WeakPolarHBondContact O-CB 3.2Å; Y417-F421 PolarHBondContact O-N 3.25Å; S418-F421 PolarHBondContact O-N 3.38Å; S419-F421 VanDerWaalsContact C-N 3.33Å; S419-F421 PolarHBondContact O-N 3.35Å; F421-R425 WeakPolarHBondContact O-CB 3.46Å; F421-R425 PolarHBondContact O-N 3.39Å |
| 422 | Y | 98 | Very high | 97.6 | Very high | 157 Ų | 157 | 95.3 Ų | 95.3 | 62% | 0.616 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67 | -39.8 | 176.7 | -73.2 | -61.2 | 0 | 0 | 0 | 112.3 | S418 S419 R425 A426 | S418-Y422 WeakPolarHBondContact O-CD2 3.41Å; S418-Y422 PolarHBondContact O-N 3.5Å; S419-Y422 PolarHBondContact O-N 3.27Å; Y422-R425 PolarHBondContact O-N 3.02Å; Y422-A426 WeakPolarHBondContact O-CB 3.07Å; Y422-A426 PolarHBondContact O-N 2.98Å |
| 423 | A | 97.9 | Very high | 97.6 | Very high | 58 Ų | 58 | 99 Ų | 99 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.3 | -45.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S419 D420 A426 A427 | S419-A423 WeakPolarHBondContact O-CB 3.38Å; S419-A423 PolarHBondContact O-N 3.05Å; D420-A423 PolarHBondContact O-N 2.95Å; A423-A426 PolarHBondContact O-N 3.42Å; A423-A427 WeakPolarHBondContact O-CB 3.46Å; A423-A427 PolarHBondContact O-N 2.88Å |
| 424 | E | 97.8 | Very high | 97.5 | Very high | 90 Ų | 90 | 100.7 Ų | 100.7 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 176.7 | 179.2 | 65 | -164.8 | 0 | 0 | 111.3 | D420 A427 R428 | D420-E424 VanDerWaalsContact O-CB 3.23Å; D420-E424 WeakPolarHBondContact O-CB 3.15Å; D420-E424 PolarHBondContact O-N 3.46Å; E424-A427 PolarHBondContact O-N 3.21Å; E424-R428 WeakPolarHBondContact O-CG 3.44Å; E424-R428 PolarHBondContact O-N 2.89Å; E424-R428 IonicContact OE1-CZ 2.97Å; E424-R428 IonicContact OE1-NE 3.6Å; E424-R428 IonicContact OE1-NH1 3.13Å; E424-R428 PolarHBondContact OE1-NH1 2.92Å; E424-R428 VanDerWaalsContact OE1-NH1 3.13Å; E424-R428 IonicContact OE1-NH2 2.92Å; E424-R428 PolarHBondContact OE1-NH2 3.35Å |
| 425 | R | 97.9 | Very high | 97.5 | Very high | 140 Ų | 140 | 104.4 Ų | 104.4 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.5 | -48.6 | 174.7 | -178.1 | 178.3 | 179.5 | 125.4 | 4.4 | 111.4 | F421 Y422 A427 R428 E429 | F421-R425 WeakPolarHBondContact O-CB 3.46Å; F421-R425 PolarHBondContact O-N 3.39Å; Y422-R425 PolarHBondContact O-N 3.02Å; R425-A427 VanDerWaalsContact C-N 3.3Å; R425-A427 PolarHBondContact O-N 3.4Å; R425-R428 PolarHBondContact O-N 3.36Å; R425-E429 IonicContact CZ-OE1 3.59Å; R425-E429 IonicContact NE-OE1 2.86Å; R425-E429 PolarHBondContact NE-OE1 3Å; R425-E429 IonicContact NH2-OE1 3.43Å; R425-E429 PolarHBondContact NH2-OE1 3.47Å; R425-E429 WeakPolarHBondContact O-CG 3.21Å; R425-E429 PolarHBondContact O-N 3.26Å |
| 426 | A | 97.6 | Very high | 97.4 | Very high | 44 Ų | 44 | 105.7 Ų | 105.7 | 36% | 0.364 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.5 | -37.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | Y422 A423 K430 | Y422-A426 WeakPolarHBondContact O-CB 3.07Å; Y422-A426 PolarHBondContact O-N 2.98Å; A423-A426 PolarHBondContact O-N 3.42Å; A426-K430 WeakPolarHBondContact O-CG 3.37Å; A426-K430 PolarHBondContact O-N 3.19Å |
| 427 | A | 97.7 | Very high | 97.4 | Very high | 53 Ų | 53 | 107.6 Ų | 107.6 | 44% | 0.438 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.8 | -42.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | A423 E424 R425 K430 L431 | A423-A427 WeakPolarHBondContact O-CB 3.46Å; A423-A427 PolarHBondContact O-N 2.88Å; E424-A427 PolarHBondContact O-N 3.21Å; R425-A427 VanDerWaalsContact C-N 3.3Å; R425-A427 PolarHBondContact O-N 3.4Å; A427-K430 PolarHBondContact O-N 2.92Å; A427-L431 WeakPolarHBondContact O-CB 3.47Å; A427-L431 PolarHBondContact O-N 3.39Å |
| 428 | R | 97.4 | Very high | 97.3 | Very high | 145 Ų | 145 | 104.8 Ų | 104.8 | 55% | 0.547 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 173.9 | -78.4 | -167.9 | 173.5 | 99.9 | 13 | 112 | E424 R425 K430 L431 H432 | E424-R428 WeakPolarHBondContact O-CG 3.44Å; E424-R428 PolarHBondContact O-N 2.89Å; E424-R428 IonicContact OE1-CZ 2.97Å; E424-R428 IonicContact OE1-NE 3.6Å; E424-R428 IonicContact OE1-NH1 3.13Å; E424-R428 PolarHBondContact OE1-NH1 2.92Å; E424-R428 VanDerWaalsContact OE1-NH1 3.13Å; E424-R428 IonicContact OE1-NH2 2.92Å; E424-R428 PolarHBondContact OE1-NH2 3.35Å; R425-R428 PolarHBondContact O-N 3.36Å; R428-K430 PolarHBondContact O-N 2.97Å; R428-L431 PolarHBondContact O-N 3.37Å; R428-H432 WeakPolarHBondContact O-CB 3.47Å; R428-H432 PolarHBondContact O-CD2 3.29Å; R428-H432 PolarHBondContact O-N 3.24Å |
| 429 | E | 97.1 | Very high | 97.3 | Very high | 90 Ų | 90 | 104.6 Ų | 104.6 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -59.2 | -46 | 177.1 | -74.5 | 171 | -178 | 0 | 0 | 110.8 | R425 L431 H432 E433 | R425-E429 IonicContact CZ-OE1 3.59Å; R425-E429 IonicContact NE-OE1 2.86Å; R425-E429 PolarHBondContact NE-OE1 3Å; R425-E429 IonicContact NH2-OE1 3.43Å; R425-E429 PolarHBondContact NH2-OE1 3.47Å; R425-E429 WeakPolarHBondContact O-CG 3.21Å; R425-E429 PolarHBondContact O-N 3.26Å; E429-L431 PolarHBondContact O-N 3.31Å; E429-H432 WeakPolarHBondContact O-CB 3.42Å; E429-H432 PolarHBondContact O-N 3.45Å; E429-E433 WeakPolarHBondContact O-CG 3.44Å; E429-E433 PolarHBondContact O-N 2.74Å |
| 430 | K | 97.4 | Very high | 97.2 | Very high | 136 Ų | 136 | 104 Ų | 104 | 59% | 0.591 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.9 | -42.9 | 173.3 | -74.3 | 178.8 | -179.5 | 179.8 | 0 | 113.3 | A426 A427 R428 H432 E433 E434 | A426-K430 WeakPolarHBondContact O-CG 3.37Å; A426-K430 PolarHBondContact O-N 3.19Å; A427-K430 PolarHBondContact O-N 2.92Å; R428-K430 PolarHBondContact O-N 2.97Å; K430-H432 VanDerWaalsContact C-N 3.31Å; K430-H432 PolarHBondContact O-N 2.92Å; K430-E433 PolarHBondContact O-N 3.3Å; K430-E434 WeakPolarHBondContact O-CG 3.26Å; K430-E434 PolarHBondContact O-N 3.13Å |
| 431 | L | 96.3 | Very high | 97.2 | Very high | 111 Ų | 111 | 104.2 Ų | 104.2 | 58% | 0.581 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.1 | -40.2 | 176.6 | -168.3 | 157.1 | 0 | 0 | 0 | 110.8 | A427 R428 E429 E434 K435 | A427-L431 WeakPolarHBondContact O-CB 3.47Å; A427-L431 PolarHBondContact O-N 3.39Å; R428-L431 PolarHBondContact O-N 3.37Å; E429-L431 PolarHBondContact O-N 3.31Å; L431-E434 PolarHBondContact O-N 3.26Å; L431-K435 VanDerWaalsContact O-CB 3.26Å; L431-K435 WeakPolarHBondContact O-CB 3.45Å; L431-K435 PolarHBondContact O-N 2.85Å |
| 432 | H | 97.5 | Very high | 97 | Very high | 106 Ų | 106 | 102.9 Ų | 102.9 | 49% | 0.491 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.4 | -46.5 | 173.6 | -86.1 | -75.6 | 0 | 0 | 0 | 111.7 | R428 E429 K430 E434 K435 E436 | R428-H432 WeakPolarHBondContact O-CB 3.47Å; R428-H432 PolarHBondContact O-CD2 3.29Å; R428-H432 PolarHBondContact O-N 3.24Å; E429-H432 WeakPolarHBondContact O-CB 3.42Å; E429-H432 PolarHBondContact O-N 3.45Å; K430-H432 VanDerWaalsContact C-N 3.31Å; K430-H432 PolarHBondContact O-N 2.92Å; H432-E434 PolarHBondContact O-N 2.91Å; H432-K435 WeakPolarHBondContact O-CB 3.37Å; H432-K435 PolarHBondContact O-N 2.85Å; H432-E436 WeakPolarHBondContact O-CG 3.44Å; H432-E436 PolarHBondContact O-N 2.84Å |
| 433 | E | 96.8 | Very high | 96.9 | Very high | 127 Ų | 127 | 100.7 Ų | 100.7 | 59% | 0.593 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.8 | -45.5 | 174.9 | -71.3 | 171.2 | 179.3 | 0 | 0 | 112 | E429 K430 E436 R437 | E429-E433 WeakPolarHBondContact O-CG 3.44Å; E429-E433 PolarHBondContact O-N 2.74Å; K430-E433 PolarHBondContact O-N 3.3Å; E433-E436 PolarHBondContact O-N 3.18Å; E433-R437 WeakPolarHBondContact O-CB 3.48Å; E433-R437 PolarHBondContact O-N 2.92Å |
| 434 | E | 96.5 | Very high | 96.8 | Very high | 115 Ų | 115 | 104.3 Ų | 104.3 | 54% | 0.537 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 176.2 | -74.4 | -176.2 | 176.8 | 0 | 0 | 112.3 | K430 L431 H432 R437 L438 | K430-E434 WeakPolarHBondContact O-CG 3.26Å; K430-E434 PolarHBondContact O-N 3.13Å; L431-E434 PolarHBondContact O-N 3.26Å; H432-E434 PolarHBondContact O-N 2.91Å; E434-R437 PolarHBondContact O-N 3.36Å; E434-L438 WeakPolarHBondContact O-CB 2.95Å; E434-L438 WeakPolarHBondContact O-CG 3.39Å; E434-L438 PolarHBondContact O-N 3.36Å |
| 435 | K | 96.5 | Very high | 96.7 | Very high | 135 Ų | 135 | 104.1 Ų | 104.1 | 59% | 0.587 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.9 | -44.5 | 175.4 | -179.2 | -175.4 | 176.7 | -176.2 | 0 | 110.9 | L431 H432 L438 A439 | L431-K435 VanDerWaalsContact O-CB 3.26Å; L431-K435 WeakPolarHBondContact O-CB 3.45Å; L431-K435 PolarHBondContact O-N 2.85Å; H432-K435 WeakPolarHBondContact O-CB 3.37Å; H432-K435 PolarHBondContact O-N 2.85Å; K435-L438 PolarHBondContact O-N 2.99Å; K435-A439 VanDerWaalsContact O-CB 3.31Å; K435-A439 WeakPolarHBondContact O-CB 3.23Å; K435-A439 PolarHBondContact O-N 2.93Å |
| 436 | E | 96.6 | Very high | 96.6 | Very high | 139 Ų | 139 | 104.3 Ų | 104.3 | 65% | 0.65 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.5 | -43.1 | 176.2 | -73.3 | -173 | 152.7 | 0 | 0 | 111.7 | H432 E433 L438 A439 A440 | H432-E436 WeakPolarHBondContact O-CG 3.44Å; H432-E436 PolarHBondContact O-N 2.84Å; E433-E436 PolarHBondContact O-N 3.18Å; E436-L438 PolarHBondContact O-N 2.9Å; E436-A439 PolarHBondContact O-N 3.34Å; E436-A440 WeakPolarHBondContact O-CB 3.48Å; E436-A440 PolarHBondContact O-N 3.36Å |
| 437 | R | 96.9 | Very high | 96.5 | Very high | 120 Ų | 120 | 108.3 Ų | 108.3 | 45% | 0.453 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.4 | -47.8 | 174.3 | -175.7 | -171.9 | 62.7 | 72.4 | -1.2 | 111.8 | E433 E434 A440 Q441 | E433-R437 WeakPolarHBondContact O-CB 3.48Å; E433-R437 PolarHBondContact O-N 2.92Å; E434-R437 PolarHBondContact O-N 3.36Å; R437-A440 PolarHBondContact O-N 3.39Å; R437-Q441 WeakPolarHBondContact O-CG 3.33Å; R437-Q441 PolarHBondContact O-N 3.33Å |
| 438 | L | 97.1 | Very high | 96.3 | Very high | 84 Ų | 84 | 110.8 Ų | 110.8 | 44% | 0.44 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66 | -38.4 | 177.9 | -72.3 | 173.4 | 0 | 0 | 0 | 111.8 | E434 K435 E436 Q441 L442 | E434-L438 WeakPolarHBondContact O-CB 2.95Å; E434-L438 WeakPolarHBondContact O-CG 3.39Å; E434-L438 PolarHBondContact O-N 3.36Å; K435-L438 PolarHBondContact O-N 2.99Å; E436-L438 PolarHBondContact O-N 2.9Å; L438-Q441 PolarHBondContact O-N 3.43Å; L438-L442 WeakPolarHBondContact O-CB 3.35Å; L438-L442 WeakPolarHBondContact O-CG 3.39Å; L438-L442 PolarHBondContact O-N 2.86Å |
| 439 | A | 96.7 | Very high | 96 | Very high | 52 Ų | 52 | 108.8 Ų | 108.8 | 43% | 0.43 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K435 E436 L442 E443 | K435-A439 VanDerWaalsContact O-CB 3.31Å; K435-A439 WeakPolarHBondContact O-CB 3.23Å; K435-A439 PolarHBondContact O-N 2.93Å; E436-A439 PolarHBondContact O-N 3.34Å; A439-L442 PolarHBondContact O-N 3.43Å; A439-E443 PolarHBondContact O-N 3.49Å |
| 440 | A | 96.2 | Very high | 95.8 | Very high | 60 Ų | 60 | 108.1 Ų | 108.1 | 50% | 0.496 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E436 R437 E443 F444 | E436-A440 WeakPolarHBondContact O-CB 3.48Å; E436-A440 PolarHBondContact O-N 3.36Å; R437-A440 PolarHBondContact O-N 3.39Å; A440-E443 PolarHBondContact O-N 2.88Å; A440-F444 PolarHBondContact O-N 2.87Å |
| 441 | Q | 96.6 | Very high | 95.6 | Very high | 95 Ų | 95 | 106 Ų | 106 | 44% | 0.444 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 173.9 | -73.3 | -179.9 | -1.9 | 0 | 0 | 112 | R437 L438 F444 I445 | R437-Q441 WeakPolarHBondContact O-CG 3.33Å; R437-Q441 PolarHBondContact O-N 3.33Å; L438-Q441 PolarHBondContact O-N 3.43Å; Q441-F444 PolarHBondContact O-N 2.92Å; Q441-I445 WeakPolarHBondContact O-CG1 3.42Å; Q441-I445 PolarHBondContact O-N 3.44Å |
| 442 | L | 95.3 | Very high | 95.4 | Very high | 104 Ų | 104 | 105.2 Ų | 105.2 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -41.1 | 175.2 | -77 | 174.2 | 0 | 0 | 0 | 111.9 | L438 A439 I445 K446 | L438-L442 WeakPolarHBondContact O-CB 3.35Å; L438-L442 WeakPolarHBondContact O-CG 3.39Å; L438-L442 PolarHBondContact O-N 2.86Å; A439-L442 PolarHBondContact O-N 3.43Å; L442-I445 PolarHBondContact O-N 3.49Å; L442-K446 WeakPolarHBondContact O-CB 3.47Å; L442-K446 VanDerWaalsContact O-CG 3.25Å; L442-K446 WeakPolarHBondContact O-CG 3.34Å; L442-K446 PolarHBondContact O-N 2.82Å |
| 443 | E | 95.6 | Very high | 95.1 | Very high | 111 Ų | 111 | 105.4 Ų | 105.4 | 52% | 0.519 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.6 | -44 | 172.9 | -88.7 | -144.6 | 169.2 | 0 | 0 | 112.4 | A439 A440 K446 K447 | A439-E443 PolarHBondContact O-N 3.49Å; A440-E443 PolarHBondContact O-N 2.88Å; E443-K446 PolarHBondContact O-N 2.87Å; E443-K447 WeakPolarHBondContact O-CB 3.37Å; E443-K447 WeakPolarHBondContact O-CG 3.26Å; E443-K447 PolarHBondContact O-N 3.41Å; E443-K447 IonicContact OE2-NZ 2.87Å; E443-K447 PolarHBondContact OE2-NZ 3.17Å |
| 444 | F | 96.1 | Very high | 94.7 | Very high | 134 Ų | 134 | 104.6 Ų | 104.6 | 59% | 0.588 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61 | -48.2 | 177.7 | 178.1 | -94.4 | 0 | 0 | 0 | 111.3 | A440 Q441 K446 K447 Q448 | A440-F444 PolarHBondContact O-N 2.87Å; Q441-F444 PolarHBondContact O-N 2.92Å; F444-K446 VanDerWaalsContact C-N 3.34Å; F444-K446 PolarHBondContact O-N 3.22Å; F444-K447 PolarHBondContact O-N 2.95Å; F444-Q448 WeakPolarHBondContact O-CB 3.47Å; F444-Q448 PolarHBondContact O-N 3.43Å |
| 445 | I | 95.8 | Very high | 94.4 | Very high | 86 Ų | 86 | 102.3 Ų | 102.3 | 44% | 0.441 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.2 | -41.1 | 176.9 | -67.1 | 170.1 | 0 | 0 | 0 | 110.8 | Q441 L442 Q448 N449 | Q441-I445 WeakPolarHBondContact O-CG1 3.42Å; Q441-I445 PolarHBondContact O-N 3.44Å; L442-I445 PolarHBondContact O-N 3.49Å; I445-Q448 PolarHBondContact O-N 3.42Å; I445-N449 WeakPolarHBondContact O-CB 3.42Å; I445-N449 PolarHBondContact O-N 3.03Å |
| 446 | K | 94.5 | Very high | 93.9 | Very high | 144 Ų | 144 | 102 Ų | 102 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -59.1 | -47.4 | 174.2 | -79.9 | 175.8 | 178.8 | 179.2 | 0 | 111.2 | L442 E443 F444 Q448 N449 T450 | L442-K446 WeakPolarHBondContact O-CB 3.47Å; L442-K446 VanDerWaalsContact O-CG 3.25Å; L442-K446 WeakPolarHBondContact O-CG 3.34Å; L442-K446 PolarHBondContact O-N 2.82Å; E443-K446 PolarHBondContact O-N 2.87Å; F444-K446 VanDerWaalsContact C-N 3.34Å; F444-K446 PolarHBondContact O-N 3.22Å; K446-Q448 PolarHBondContact O-N 3.14Å; K446-N449 PolarHBondContact O-N 2.9Å; K446-T450 WeakPolarHBondContact O-CG2 3.44Å; K446-T450 PolarHBondContact O-N 3.24Å; K446-T450 PolarHBondContact O-OG1 3.21Å; K446-T450 VanDerWaalsContact O-OG1 3.11Å |
| 447 | K | 95.4 | Very high | 93.4 | Very high | 127 Ų | 127 | 99 Ų | 99 | 55% | 0.552 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -59.5 | -44.9 | 176.5 | -76.5 | 167 | 178.7 | 153.8 | 0 | 111.5 | E443 F444 T450 Q451 | E443-K447 WeakPolarHBondContact O-CB 3.37Å; E443-K447 WeakPolarHBondContact O-CG 3.26Å; E443-K447 PolarHBondContact O-N 3.41Å; E443-K447 IonicContact OE2-NZ 2.87Å; E443-K447 PolarHBondContact OE2-NZ 3.17Å; F444-K447 PolarHBondContact O-N 2.95Å; K447-T450 VanDerWaalsContact CA-OG1 3.29Å; K447-T450 WeakPolarHBondContact CA-OG1 3.37Å; K447-T450 PolarHBondContact O-N 3.47Å; K447-T450 PolarHBondContact O-OG1 2.92Å; K447-Q451 WeakPolarHBondContact O-CB 3.41Å; K447-Q451 PolarHBondContact O-N 2.91Å |
| 448 | Q | 94.7 | Very high | 92.9 | Very high | 106 Ų | 106 | 95 Ų | 95 | 50% | 0.495 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.3 | -44.2 | 176 | -170 | -178.1 | 26.4 | 0 | 0 | 112.1 | F444 I445 K446 Q451 L452 | F444-Q448 WeakPolarHBondContact O-CB 3.47Å; F444-Q448 PolarHBondContact O-N 3.43Å; I445-Q448 PolarHBondContact O-N 3.42Å; K446-Q448 PolarHBondContact O-N 3.14Å; Q448-Q451 WeakPolarHBondContact O-CB 3.46Å; Q448-Q451 PolarHBondContact O-N 3.43Å; Q448-L452 HydrophobicContact CG-CD1 4.41Å; Q448-L452 WeakPolarHBondContact O-CG 3.39Å; Q448-L452 PolarHBondContact O-N 2.86Å |
| 449 | N | 91.6 | Very high | 92.1 | Very high | 102 Ų | 102 | 95.7 Ų | 95.7 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.5 | -44.7 | 174.8 | -106.2 | -51.6 | 0 | 0 | 0 | 111.6 | I445 K446 Q451 L452 Q453 | I445-N449 WeakPolarHBondContact O-CB 3.42Å; I445-N449 PolarHBondContact O-N 3.03Å; K446-N449 PolarHBondContact O-N 2.9Å; N449-Q451 VanDerWaalsContact C-N 3.3Å; N449-Q451 PolarHBondContact O-N 3.37Å; N449-L452 PolarHBondContact O-N 3.36Å; N449-Q453 WeakPolarHBondContact O-CB 3.43Å; N449-Q453 PolarHBondContact O-N 2.89Å |
| 450 | T | 91.8 | Very high | 91.2 | Very high | 76 Ų | 76 | 95 Ų | 95 | 47% | 0.466 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.4 | -37.3 | 175.8 | 51.4 | 0 | 0 | 0 | 0 | 111.8 | K446 K447 Q453 Q454 | K446-T450 WeakPolarHBondContact O-CG2 3.44Å; K446-T450 PolarHBondContact O-N 3.24Å; K446-T450 PolarHBondContact O-OG1 3.21Å; K446-T450 VanDerWaalsContact O-OG1 3.11Å; K447-T450 VanDerWaalsContact CA-OG1 3.29Å; K447-T450 WeakPolarHBondContact CA-OG1 3.37Å; K447-T450 PolarHBondContact O-N 3.47Å; K447-T450 PolarHBondContact O-OG1 2.92Å; T450-Q453 PolarHBondContact O-N 3.34Å; T450-Q454 WeakPolarHBondContact O-CB 3.42Å; T450-Q454 VanDerWaalsContact O-CG 3.23Å; T450-Q454 WeakPolarHBondContact O-CG 3.45Å; T450-Q454 PolarHBondContact O-N 3.02Å |
| 451 | Q | 93.1 | Very high | 90.5 | Very high | 93 Ų | 93 | 100.1 Ų | 100.1 | 44% | 0.435 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.4 | -47.9 | 175.4 | -176.4 | 62.3 | 47.8 | 0 | 0 | 111.2 | K447 Q448 N449 Q453 Q454 D455 | K447-Q451 WeakPolarHBondContact O-CB 3.41Å; K447-Q451 PolarHBondContact O-N 2.91Å; Q448-Q451 WeakPolarHBondContact O-CB 3.46Å; Q448-Q451 PolarHBondContact O-N 3.43Å; N449-Q451 VanDerWaalsContact C-N 3.3Å; N449-Q451 PolarHBondContact O-N 3.37Å; Q451-Q453 VanDerWaalsContact C-N 3.3Å; Q451-Q453 PolarHBondContact O-N 2.96Å; Q451-Q454 CarbonylContact O-C 3.55Å; Q451-Q454 WeakPolarHBondContact O-CB 3.31Å; Q451-Q454 PolarHBondContact O-N 3.27Å; Q451-Q454 VanDerWaalsContact O-N 3.16Å; Q451-D455 PolarHBondContact NE2-OD1 3.44Å; Q451-D455 WeakPolarHBondContact O-CB 3.4Å; Q451-D455 VanDerWaalsContact O-CG 3.28Å; Q451-D455 PolarHBondContact O-N 3.32Å |
| 452 | L | 92.1 | Very high | 89.5 | Confident | 94 Ų | 94 | 103.3 Ų | 103.3 | 49% | 0.492 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.5 | -39.8 | 176.4 | -72.8 | 172.7 | 0 | 0 | 0 | 111.7 | Q448 N449 D455 M456 | Q448-L452 HydrophobicContact CG-CD1 4.41Å; Q448-L452 WeakPolarHBondContact O-CG 3.39Å; Q448-L452 PolarHBondContact O-N 2.86Å; N449-L452 PolarHBondContact O-N 3.36Å; L452-D455 PolarHBondContact O-N 2.85Å; L452-M456 WeakPolarHBondContact O-CB 3.38Å; L452-M456 VanDerWaalsContact O-CG 3.27Å; L452-M456 WeakPolarHBondContact O-CG 3.49Å; L452-M456 PolarHBondContact O-N 2.86Å |
| 453 | Q | 90.5 | Very high | 88.5 | Confident | 110 Ų | 110 | 101.7 Ų | 101.7 | 51% | 0.514 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 174 | -172 | 64.2 | 46 | 0 | 0 | 111.1 | N449 T450 Q451 D455 M456 D457 | N449-Q453 WeakPolarHBondContact O-CB 3.43Å; N449-Q453 PolarHBondContact O-N 2.89Å; T450-Q453 PolarHBondContact O-N 3.34Å; Q451-Q453 VanDerWaalsContact C-N 3.3Å; Q451-Q453 PolarHBondContact O-N 2.96Å; Q453-D455 VanDerWaalsContact C-N 3.35Å; Q453-M456 PolarHBondContact O-N 3.26Å; Q453-D457 PolarHBondContact NE2-OD1 3.32Å; Q453-D457 VanDerWaalsContact NE2-OD1 3.15Å; Q453-D457 WeakPolarHBondContact O-CB 3.45Å; Q453-D457 PolarHBondContact O-N 2.91Å |
| 454 | Q | 89.6 | Confident | 87.2 | Confident | 110 Ų | 110 | 101 Ų | 101 | 51% | 0.514 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63 | -39.8 | 174.6 | -74.6 | 172.5 | 9.8 | 0 | 0 | 112.1 | T450 Q451 D457 S458 | T450-Q454 WeakPolarHBondContact O-CB 3.42Å; T450-Q454 VanDerWaalsContact O-CG 3.23Å; T450-Q454 WeakPolarHBondContact O-CG 3.45Å; T450-Q454 PolarHBondContact O-N 3.02Å; Q451-Q454 CarbonylContact O-C 3.55Å; Q451-Q454 WeakPolarHBondContact O-CB 3.31Å; Q451-Q454 PolarHBondContact O-N 3.27Å; Q451-Q454 VanDerWaalsContact O-N 3.16Å; Q454-D457 PolarHBondContact O-N 2.88Å; Q454-S458 WeakPolarHBondContact O-CB 3.25Å; Q454-S458 PolarHBondContact O-N 2.88Å |
| 455 | D | 90.1 | Very high | 85.8 | Confident | 67 Ų | 67 | 98.6 Ų | 98.6 | 36% | 0.358 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.4 | -44.6 | 177.3 | -70.5 | -16.8 | 0 | 0 | 0 | 110.7 | Q451 L452 Q453 S458 L459 | Q451-D455 PolarHBondContact NE2-OD1 3.44Å; Q451-D455 WeakPolarHBondContact O-CB 3.4Å; Q451-D455 VanDerWaalsContact O-CG 3.28Å; Q451-D455 PolarHBondContact O-N 3.32Å; L452-D455 PolarHBondContact O-N 2.85Å; Q453-D455 VanDerWaalsContact C-N 3.35Å; D455-S458 WeakPolarHBondContact CA-OG 3.32Å; D455-S458 PolarHBondContact O-N 3.47Å; D455-S458 PolarHBondContact O-OG 2.83Å; D455-L459 WeakPolarHBondContact O-CB 3.41Å; D455-L459 VanDerWaalsContact O-CG 3.31Å; D455-L459 WeakPolarHBondContact O-CG 3.49Å; D455-L459 PolarHBondContact O-N 2.88Å |
| 456 | M | 86.1 | Confident | 84.5 | Confident | 128 Ų | 128 | 100.4 Ų | 100.4 | 63% | 0.631 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -59.4 | -46.6 | 172.4 | -76.6 | -63.8 | -60.9 | 0 | 0 | 111.9 | L452 Q453 S458 L459 G460 | L452-M456 WeakPolarHBondContact O-CB 3.38Å; L452-M456 VanDerWaalsContact O-CG 3.27Å; L452-M456 WeakPolarHBondContact O-CG 3.49Å; L452-M456 PolarHBondContact O-N 2.86Å; Q453-M456 PolarHBondContact O-N 3.26Å; M456-S458 VanDerWaalsContact C-N 3.3Å; M456-S458 PolarHBondContact O-N 3.42Å; M456-L459 PolarHBondContact O-N 3.24Å; M456-G460 PolarHBondContact O-N 3.37Å |
| 457 | D | 86.8 | Confident | 82.9 | Confident | 76 Ų | 76 | 100 Ų | 100 | 41% | 0.406 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -36.5 | 175.8 | -70.8 | -10.7 | 0 | 0 | 0 | 110.9 | Q453 Q454 G460 R461 | Q453-D457 PolarHBondContact NE2-OD1 3.32Å; Q453-D457 VanDerWaalsContact NE2-OD1 3.15Å; Q453-D457 WeakPolarHBondContact O-CB 3.45Å; Q453-D457 PolarHBondContact O-N 2.91Å; Q454-D457 PolarHBondContact O-N 2.88Å; D457-G460 PolarHBondContact O-N 3.37Å; D457-R461 VanDerWaalsContact O-CB 3.26Å; D457-R461 WeakPolarHBondContact O-CB 3.32Å; D457-R461 WeakPolarHBondContact O-CG 3.41Å; D457-R461 PolarHBondContact O-N 3.37Å |
| 458 | S | 84.9 | Confident | 81.1 | Confident | 35 Ų | 35 | 99.9 Ų | 99.9 | 25% | 0.245 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -69.8 | -38.5 | 177.4 | 84.1 | 0 | 0 | 0 | 0 | 111.8 | Q454 D455 M456 R461 R462 | Q454-S458 WeakPolarHBondContact O-CB 3.25Å; Q454-S458 PolarHBondContact O-N 2.88Å; D455-S458 WeakPolarHBondContact CA-OG 3.32Å; D455-S458 PolarHBondContact O-N 3.47Å; D455-S458 PolarHBondContact O-OG 2.83Å; M456-S458 VanDerWaalsContact C-N 3.3Å; M456-S458 PolarHBondContact O-N 3.42Å; S458-R461 PolarHBondContact O-N 2.86Å; S458-R462 WeakPolarHBondContact O-CB 3.33Å; S458-R462 WeakPolarHBondContact O-CG 3.41Å; S458-R462 PolarHBondContact O-N 3.34Å |
| 459 | L | 81.9 | Confident | 79.4 | Confident | 100 Ų | 100 | 105.3 Ų | 105.3 | 52% | 0.524 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -69.4 | -41.9 | 173.6 | -73.5 | 170.4 | 0 | 0 | 0 | 110.3 | D455 M456 R461 R462 S463 | D455-L459 WeakPolarHBondContact O-CB 3.41Å; D455-L459 VanDerWaalsContact O-CG 3.31Å; D455-L459 WeakPolarHBondContact O-CG 3.49Å; D455-L459 PolarHBondContact O-N 2.88Å; M456-L459 PolarHBondContact O-N 3.24Å; L459-R461 PolarHBondContact O-N 3.47Å; L459-R462 PolarHBondContact O-N 3.48Å; L459-S463 VanDerWaalsContact O-CB 3.27Å; L459-S463 WeakPolarHBondContact O-CB 3.49Å; L459-S463 PolarHBondContact O-N 2.95Å |
| 460 | G | 77.6 | Confident | 77.5 | Confident | 36 Ų | 36 | 110 Ų | 110 | 37% | 0.371 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.2 | -44.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | M456 D457 S463 L464 | M456-G460 PolarHBondContact O-N 3.37Å; D457-G460 PolarHBondContact O-N 3.37Å; G460-S463 PolarHBondContact O-N 3.29Å; G460-L464 WeakPolarHBondContact O-CB 3.27Å; G460-L464 PolarHBondContact O-N 2.85Å |
| 461 | R | 80.2 | Confident | 75.4 | Confident | 168 Ų | 168 | 114.4 Ų | 114.4 | 63% | 0.634 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.9 | -39.8 | 174.4 | -75 | 174.7 | -167.8 | -83.8 | 1.3 | 112.7 | D457 S458 L459 L464 N465 | D457-R461 VanDerWaalsContact O-CB 3.26Å; D457-R461 WeakPolarHBondContact O-CB 3.32Å; D457-R461 WeakPolarHBondContact O-CG 3.41Å; D457-R461 PolarHBondContact O-N 3.37Å; S458-R461 PolarHBondContact O-N 2.86Å; L459-R461 PolarHBondContact O-N 3.47Å; R461-L464 PolarHBondContact O-N 2.85Å; R461-N465 VanDerWaalsContact O-CB 3.23Å; R461-N465 WeakPolarHBondContact O-CB 3.34Å; R461-N465 PolarHBondContact O-N 3.11Å; R461-N465 PolarHBondContact O-ND2 3.49Å |
| 462 | R | 76.1 | Confident | 72.5 | Confident | 162 Ų | 162 | 113.2 Ų | 113.2 | 61% | 0.611 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -64.2 | -44.1 | 174 | -81 | -178.7 | -171.5 | 129.1 | 0.6 | 110.9 | S458 L459 N465 E466 | S458-R462 WeakPolarHBondContact O-CB 3.33Å; S458-R462 WeakPolarHBondContact O-CG 3.41Å; S458-R462 PolarHBondContact O-N 3.34Å; L459-R462 PolarHBondContact O-N 3.48Å; R462-N465 PolarHBondContact O-N 3.44Å; R462-E466 VanDerWaalsContact O-CB 3.3Å; R462-E466 WeakPolarHBondContact O-CB 3.43Å; R462-E466 PolarHBondContact O-N 2.84Å |
| 463 | S | 73.4 | Confident | 69.8 | Low | 70 Ų | 70 | 114.9 Ų | 114.9 | 49% | 0.49 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.2 | -43.3 | 173.6 | 176.7 | 0 | 0 | 0 | 0 | 111.8 | L459 G460 E466 M467 | L459-S463 VanDerWaalsContact O-CB 3.27Å; L459-S463 WeakPolarHBondContact O-CB 3.49Å; L459-S463 PolarHBondContact O-N 2.95Å; G460-S463 PolarHBondContact O-N 3.29Å; S463-E466 PolarHBondContact O-N 3.34Å; S463-M467 PolarHBondContact O-N 3.15Å |
| 464 | L | 68.9 | Low | 67.1 | Low | 97 Ų | 97 | 114.4 Ų | 114.4 | 51% | 0.508 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -63.8 | -44.2 | 174.1 | -100.9 | 164.6 | 0 | 0 | 0 | 112.2 | G460 R461 E466 M467 Q468 | G460-L464 WeakPolarHBondContact O-CB 3.27Å; G460-L464 PolarHBondContact O-N 2.85Å; R461-L464 PolarHBondContact O-N 2.85Å; L464-E466 VanDerWaalsContact C-N 3.32Å; L464-E466 PolarHBondContact O-N 2.87Å; L464-M467 WeakPolarHBondContact O-CB 3.45Å; L464-M467 PolarHBondContact O-N 2.87Å; L464-Q468 WeakPolarHBondContact O-CB 3.35Å; L464-Q468 PolarHBondContact O-N 2.82Å |
| 465 | N | 67.8 | Low | 64.3 | Low | 83 Ų | 83 | 114.9 Ų | 114.9 | 44% | 0.444 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -66.9 | -32.5 | 177.2 | -77.7 | -22.9 | 0 | 0 | 0 | 112 | R461 R462 Q468 R469 | R461-N465 VanDerWaalsContact O-CB 3.23Å; R461-N465 WeakPolarHBondContact O-CB 3.34Å; R461-N465 PolarHBondContact O-N 3.11Å; R461-N465 PolarHBondContact O-ND2 3.49Å; R462-N465 PolarHBondContact O-N 3.44Å; N465-Q468 PolarHBondContact O-N 3.43Å; N465-R469 WeakPolarHBondContact O-CB 3.49Å; N465-R469 WeakPolarHBondContact O-CG 3.42Å; N465-R469 PolarHBondContact O-N 3.16Å |
| 466 | E | 68.5 | Low | 61.7 | Low | 125 Ų | 125 | 117.1 Ų | 117.1 | 58% | 0.584 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -72.4 | -38.2 | 174 | -166.7 | 172.7 | -175.2 | 0 | 0 | 111.5 | R462 S463 L464 R469 | R462-E466 VanDerWaalsContact O-CB 3.3Å; R462-E466 WeakPolarHBondContact O-CB 3.43Å; R462-E466 PolarHBondContact O-N 2.84Å; S463-E466 PolarHBondContact O-N 3.34Å; L464-E466 VanDerWaalsContact C-N 3.32Å; L464-E466 PolarHBondContact O-N 2.87Å; E466-R469 PolarHBondContact O-N 2.89Å |
| 467 | M | 59.9 | Low | 59.2 | Low | 136 Ų | 136 | 114.7 Ų | 114.7 | 67% | 0.67 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -60.9 | -43 | 166.9 | -85.1 | -128.7 | -73.9 | 0 | 0 | 112.1 | S463 L464 R470 | S463-M467 PolarHBondContact O-N 3.15Å; L464-M467 WeakPolarHBondContact O-CB 3.45Å; L464-M467 PolarHBondContact O-N 2.87Å; M467-R470 PolarHBondContact O-N 3.24Å |
| 468 | Q | 58.6 | Low | 57 | Low | 124 Ų | 124 | 116.2 Ų | 116.2 | 58% | 0.579 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -69.3 | -31.7 | 177.1 | -83.2 | 177.1 | -31 | 0 | 0 | 113.2 | L464 N465 R470 H471 | L464-Q468 WeakPolarHBondContact O-CB 3.35Å; L464-Q468 PolarHBondContact O-N 2.82Å; N465-Q468 PolarHBondContact O-N 3.43Å; Q468-R470 PolarHBondContact O-N 3.41Å; Q468-H471 CarbonylContact O-C 3.27Å; Q468-H471 VanDerWaalsContact O-C 3.27Å; Q468-H471 PolarHBondContact O-N 3.42Å |
| 469 | R | 57.4 | Low | 54.6 | Low | 220 Ų | 220 | 124 Ų | 124 | 83% | 0.83 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -68.3 | -13.2 | 175.6 | -80.3 | 179.4 | -168.1 | -97.3 | 1.2 | 114 | N465 E466 | N465-R469 WeakPolarHBondContact O-CB 3.49Å; N465-R469 WeakPolarHBondContact O-CG 3.42Å; N465-R469 PolarHBondContact O-N 3.16Å; E466-R469 PolarHBondContact O-N 2.89Å |
| 470 | R | 51.6 | Low | 52.4 | Low | 201 Ų | 201 | 122.4 Ų | 122.4 | 76% | 0.758 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -4.8 | 171.1 | -64.8 | -171.2 | 179.7 | -157.3 | 1.1 | 113.6 | M467 Q468 | M467-R470 PolarHBondContact O-N 3.24Å; Q468-R470 PolarHBondContact O-N 3.41Å |
| 471 | H | 47.7 | Very low | 51 | Low | 168 Ų | 168 | 126.9 Ų | 126.9 | 78% | 0.778 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -147.5 | 92.5 | 174.5 | -68.6 | -74.8 | 0 | 0 | 0 | 111.4 | Q468 | Q468-H471 CarbonylContact O-C 3.27Å; Q468-H471 VanDerWaalsContact O-C 3.27Å; Q468-H471 PolarHBondContact O-N 3.42Å |
| 472 | G | 33.8 | Very low | 48.6 | Very low | 68 Ų | 68 | 126.4 Ų | 126.4 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | trans | -94.4 | 150.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 473 | S | 34.4 | Very low | 47 | Very low | 128 Ų | 128 | 123 Ų | 123 | 90% | 0.895 | 72% | 0.717 | S | S | * | * | trans | 91.3 | 133.5 | 167.6 | -65.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 474 | S | 34.3 | Very low | 45.1 | Very low | 100 Ų | 100 | 124.9 Ų | 124.9 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | cis | -177.7 | 142.8 | 6.3 | -177 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 475 | V | 31.3 | Very low | 43.4 | Very low | 121 Ų | 121 | 127.4 Ų | 127.4 | 73% | 0.733 | 74% | 0.743 | S | S | * | * | trans | 72.1 | 111 | 142.9 | 166.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 476 | S | 35 | Very low | 41.8 | Very low | 113 Ų | 113 | 130 Ų | 130 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | 74.7 | 138.9 | 61.4 | 93.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 477 | G | 33.4 | Very low | 40.1 | Very low | 78 Ų | 78 | 127.4 Ų | 127.4 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | cis | -165.6 | -159.3 | 10.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 478 | S | 40.7 | Very low | 39 | Very low | 107 Ų | 107 | 132.8 Ų | 132.8 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | cis | -175.2 | 139.9 | -4.4 | 175.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 479 | H | 33.7 | Very low | 37.8 | Very low | 199 Ų | 199 | 130.5 Ų | 130.5 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | -165 | 123.6 | 145.8 | -89.5 | -56.2 | 0 | 0 | 0 | 109.4 | ||||
| 480 | G | 35.8 | Very low | 36.9 | Very low | 66 Ų | 66 | 125.6 Ų | 125.6 | 68% | 0.68 | 79% | 0.786 | S | S | * | * | trans | -142.5 | -176.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 481 | P | 48 | Very low | 36.1 | Very low | 130 Ų | 130 | 122.4 Ų | 122.4 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | cis | -128.9 | -168.9 | 23.6 | 42.7 | -24.4 | 0 | 0 | 0 | 110.3 | ||||
| 482 | D | 31.2 | Very low | 35.5 | Very low | 159 Ų | 159 | 125.8 Ų | 125.8 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | cis | -162.3 | 158.3 | 9.1 | -157.4 | -7.9 | 0 | 0 | 0 | 106.5 | ||||
| 483 | A | 41.9 | Very low | 35.7 | Very low | 90 Ų | 90 | 130.8 Ų | 130.8 | 74% | 0.744 | 80% | 0.801 | S | S | * | * | trans | -125.5 | 124.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 484 | S | 32.9 | Very low | 35.8 | Very low | 110 Ų | 110 | 133 Ų | 133 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -160.6 | 156.3 | 152.2 | 78.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 485 | L | 33.8 | Very low | 36.2 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | trans | 92.1 | 103.5 | 162.2 | -99.2 | 83.3 | 0 | 0 | 0 | 120.9 | ||||
| 486 | V | 34.3 | Very low | 36.8 | Very low | 139 Ų | 139 | 133.2 Ų | 133.2 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | 64.1 | 131.2 | 116.8 | 179.2 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 487 | G | 32.8 | Very low | 37.7 | Very low | 70 Ų | 70 | 134.8 Ų | 134.8 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | 129.4 | 72.6 | 138.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 488 | R | 36.2 | Very low | 39 | Very low | 248 Ų | 248 | 134.5 Ų | 134.5 | 94% | 0.936 | 79% | 0.785 | S | S | * | * | trans | -72.7 | 125.4 | 159.3 | 178.5 | -174.2 | -100.8 | -103.9 | 2.9 | 108.3 | ||||
| 489 | G | 33.8 | Very low | 40.2 | Very low | 76 Ų | 76 | 137.8 Ų | 137.8 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | trans | -166.8 | 90.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 490 | T | 37.4 | Very low | 42.2 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 72% | 0.724 | 76% | 0.756 | S | S | * | * | trans | -94.8 | 129.3 | 169.5 | -39.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 491 | D | 35.5 | Very low | 44.3 | Very low | 133 Ų | 133 | 128.9 Ų | 128.9 | 71% | 0.711 | 73% | 0.733 | S | S | * | * | trans | 148 | 162.2 | 146.9 | -76 | -17 | 0 | 0 | 0 | 112.6 | ||||
| 492 | W | 34.8 | Very low | 45.8 | Very low | 240 Ų | 240 | 122.8 Ų | 122.8 | 91% | 0.909 | 69% | 0.694 | S | S | * | * | trans | 96.8 | 67.6 | 176.7 | -46.5 | 106.7 | 0 | 0 | 0 | 116.2 | Q494 | W492-Q494 PolarHBondContact O-N 3.46Š| ||
| 493 | N | 37.8 | Very low | 47.9 | Very low | 173 Ų | 173 | 120.8 Ų | 120.8 | 93% | 0.925 | 69% | 0.689 | S | S | * | * | trans | -79.8 | 106.7 | 157.4 | -139.5 | 35.6 | 0 | 0 | 0 | 108.7 | ||||
| 494 | Q | 38.1 | Very low | 49.6 | Very low | 175 Ų | 175 | 122.9 Ų | 122.9 | 82% | 0.818 | 68% | 0.682 | S | S | * | * | trans | -73.2 | 119.5 | 167.1 | -77.6 | 170 | -4.6 | 0 | 0 | 109.5 | W492 | W492-Q494 PolarHBondContact O-N 3.46Š| ||
| 495 | G | 42 | Very low | 52 | Low | 71 Ų | 71 | 120.6 Ų | 120.6 | 73% | 0.732 | 67% | 0.665 | S | S | * | * | trans | -94.7 | 102 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | I497 | G495-I497 PolarHBondContact O-N 2.83Š| ||
| 496 | N | 44.6 | Very low | 54.1 | Low | 154 Ų | 154 | 119.4 Ų | 119.4 | 82% | 0.824 | 66% | 0.66 | S | S | * | * | trans | -62.2 | 113.4 | 172.1 | -99.6 | -3.3 | 0 | 0 | 0 | 110.2 | ||||
| 497 | I | 51.9 | Low | 56.3 | Low | 145 Ų | 145 | 117.9 Ų | 117.9 | 74% | 0.744 | 64% | 0.643 | S | S | * | * | trans | -80.3 | 128.3 | 162.6 | -57 | 169.6 | 0 | 0 | 0 | 106.3 | G495 E499 | G495-I497 PolarHBondContact O-N 2.83Å; I497-E499 PolarHBondContact O-N 3.31Å | ||
| 498 | P | 61.8 | Low | 58.6 | Low | 73 Ų | 73 | 120.2 Ų | 120.2 | 47% | 0.474 | 64% | 0.638 | S | S | . | * | trans | -58.9 | 127 | 174.7 | -20.6 | 31.6 | 0 | 0 | 0 | 110.4 | H500 I508 | P498-H500 PolarHBondContact O-N 2.79Å; P498-I508 HydrophobicContact CB-CD1 4.49Å; P498-I508 HydrophobicContact CG-CD1 4.42Å | ||
| 499 | E | 65.9 | Low | 60.6 | Low | 175 Ų | 175 | 109.8 Ų | 109.8 | 82% | 0.818 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -9.2 | -169.3 | -82.4 | 179.4 | 150.7 | 0 | 0 | 115.8 | I497 | I497-E499 PolarHBondContact O-N 3.31Š|
| 500 | H | 75.1 | Confident | 62.8 | Low | 55 Ų | 55 | 111.6 Ų | 111.6 | 26% | 0.255 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -137.6 | 48.5 | -175.3 | -54 | 92.8 | 0 | 0 | 0 | 113 | P498 L509 L512 | P498-H500 PolarHBondContact O-N 2.79Å; H500-L509 WeakPolarHBondContact CB-O 3.42Å; H500-L509 PolarHBondContact O-N 3.46Å; H500-L512 PolarHBondContact CD2-N 2.87Å |
| 501 | A | 80 | Confident | 64.9 | Low | 23 Ų | 23 | 109.3 Ų | 109.3 | 19% | 0.19 | 58% | 0.582 | C | S | . | * | B | Isolated β-bridge | trans | -107 | 132.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | P503 E507 I508 | A501-P503 WeakPolarHBondContact O-CD 3.29Å; A501-E507 WeakPolarHBondContact CA-O 3.23Å; A501-I508 HydrophobicContact CB-CG1 4.42Å |
| 502 | C | 80.3 | Confident | 66.9 | Low | 3 Ų | 3 | 107.8 Ų | 107.8 | 2% | 0.02 | 57% | 0.573 | C | S | . | * | trans | -71.2 | 123.4 | 174.1 | 176.5 | 0 | 0 | 0 | 0 | 111 | K504 N506 E507 L515 H518 | C502-K504 PolarHBondContact O-N 2.78Å; C502-K504 VanDerWaalsContact O-N 3.15Å; C502-N506 WeakPolarHBondContact O-CA 3.31Å; C502-N506 PolarHBondContact O-N 3.35Å; C502-E507 PolarHBondContact N-O 2.75Å; C502-L515 HydrophobicContact CB-CD1 3.96Å; C502-H518 VanDerWaalsContact CB-CD2 3.5Å; C502-H518 WeakPolarHBondContact CB-CD2 3.26Å; C502-H518 PolarHBondContact SG-CD2 3.31Å; C502-H518 PolarHBondContact SG-NE2 2.93Å | ||
| 503 | P | 74.9 | Confident | 69.2 | Low | 116 Ų | 116 | 101.6 Ų | 101.6 | 75% | 0.753 | 56% | 0.558 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.3 | -12.2 | -175.3 | 24.7 | -32.2 | 0 | 0 | 0 | 115 | A501 | A501-P503 WeakPolarHBondContact O-CD 3.29Š|
| 504 | K | 77.3 | Confident | 71.3 | Confident | 134 Ų | 134 | 95.4 Ų | 95.4 | 58% | 0.583 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -47.5 | 178.8 | -166.8 | -172.4 | 178.6 | -179.1 | 0 | 112.8 | C502 C522 N524 | C502-K504 PolarHBondContact O-N 2.78Å; C502-K504 VanDerWaalsContact O-N 3.15Å; K504-C522 WeakPolarHBondContact CD-O 3.5Å; K504-C522 VanDerWaalsContact CE-O 3.3Å; K504-C522 WeakPolarHBondContact CE-O 3.27Å; K504-C522 PolarHBondContact NZ-O 3.47Å; K504-N524 PolarHBondContact NZ-OXT 3.31Å |
| 505 | C | 83.3 | Confident | 73.5 | Confident | 62 Ų | 62 | 88 Ų | 88 | 42% | 0.419 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | -5.7 | -176.3 | 64.6 | 0 | 0 | 0 | 0 | 114 | E507 H518 | C505-E507 PolarHBondContact O-N 3.5Å; C505-H518 VanDerWaalsContact SG-CE1 3.59Å; C505-H518 PolarHBondContact SG-NE2 2.79Å |
| 506 | N | 78.6 | Confident | 75.3 | Confident | 125 Ų | 125 | 90.2 Ų | 90.2 | 67% | 0.668 | 49% | 0.485 | S | S | * | . | trans | 59.3 | 24.6 | -179.8 | -139.9 | 54.1 | 0 | 0 | 0 | 114.6 | C502 | C502-N506 WeakPolarHBondContact O-CA 3.31Å; C502-N506 PolarHBondContact O-N 3.35Å | ||
| 507 | E | 79.6 | Confident | 77 | Confident | 107 Ų | 107 | 88.2 Ų | 88.2 | 50% | 0.5 | 47% | 0.474 | S | S | . | . | trans | -76.6 | 128.7 | 174.9 | -165.9 | 168.7 | -166.5 | 0 | 0 | 110.1 | A501 C502 C505 H518 | A501-E507 WeakPolarHBondContact CA-O 3.23Å; C502-E507 PolarHBondContact N-O 2.75Å; C505-E507 PolarHBondContact O-N 3.5Å; E507-H518 IonicContact OE2-CE1 3.3Å; E507-H518 PolarHBondContact OE2-CE1 2.81Å; E507-H518 VanDerWaalsContact OE2-CE1 3.3Å; E507-H518 IonicContact OE2-ND1 3.85Å | ||
| 508 | I | 81.1 | Confident | 78.5 | Confident | 118 Ų | 118 | 83 Ų | 83 | 61% | 0.605 | 45% | 0.446 | S | S | * | . | B | Isolated β-bridge | trans | -90.9 | 119.1 | -179.8 | -57.7 | 174.7 | 0 | 0 | 0 | 108.1 | P498 A501 | P498-I508 HydrophobicContact CB-CD1 4.49Å; P498-I508 HydrophobicContact CG-CD1 4.42Å; A501-I508 HydrophobicContact CB-CG1 4.42Å |
| 509 | L | 79.7 | Confident | 79.4 | Confident | 29 Ų | 29 | 82.1 Ų | 82.1 | 15% | 0.152 | 44% | 0.437 | C | S | . | . | trans | -105 | 153.7 | -176.7 | -67.7 | 163.5 | 0 | 0 | 0 | 111 | H500 D511 L515 H518 | H500-L509 WeakPolarHBondContact CB-O 3.42Å; H500-L509 PolarHBondContact O-N 3.46Å; L509-D511 VanDerWaalsContact C-N 3.32Å; L509-D511 PolarHBondContact O-N 2.73Å; L509-L515 HydrophobicContact CD1-CB 4.18Å; L509-L515 HydrophobicContact CD1-CD1 4.01Å; L509-H518 HydrophobicContact CD1-CB 3.49Å; L509-H518 VanDerWaalsContact CD1-CB 3.49Å | ||
| 510 | P | 79.9 | Confident | 79.9 | Confident | 114 Ų | 114 | 80 Ų | 80 | 74% | 0.74 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -68.9 | -28.8 | -170.7 | -16.6 | 30.1 | 0 | 0 | 0 | 113.9 | ||
| 511 | D | 79.8 | Confident | 79.9 | Confident | 71 Ų | 71 | 83.2 Ų | 83.2 | 38% | 0.38 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -152.3 | 170.1 | -176.5 | 60 | 16.6 | 0 | 0 | 0 | 112.7 | L509 D513 S514 L515 | L509-D511 VanDerWaalsContact C-N 3.32Å; L509-D511 PolarHBondContact O-N 2.73Å; D511-D513 VanDerWaalsContact C-N 3.35Å; D511-D513 PolarHBondContact O-N 3.2Å; D511-S514 PolarHBondContact O-N 2.75Å; D511-S514 WeakPolarHBondContact OD1-CB 3.42Å; D511-S514 PolarHBondContact OD1-N 2.97Å; D511-S514 PolarHBondContact OD1-OG 2.85Å; D511-L515 PolarHBondContact O-N 2.77Å |
| 512 | L | 79.4 | Confident | 80 | Confident | 101 Ų | 101 | 83.2 Ų | 83.2 | 53% | 0.529 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65 | -35.4 | -178.2 | -164.4 | 83.4 | 0 | 0 | 0 | 112.5 | H500 L515 Q516 | H500-L512 PolarHBondContact CD2-N 2.87Å; L512-L515 WeakPolarHBondContact O-CB 3.49Å; L512-L515 PolarHBondContact O-N 3.49Å; L512-Q516 WeakPolarHBondContact O-CB 3.21Å; L512-Q516 PolarHBondContact O-N 2.76Å |
| 513 | D | 81.4 | Confident | 79.6 | Confident | 109 Ų | 109 | 89 Ų | 89 | 58% | 0.583 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -66.7 | -42.7 | -179.9 | -76.2 | -10.2 | 0 | 0 | 0 | 111 | D511 L515 Q516 I517 | D511-D513 VanDerWaalsContact C-N 3.35Å; D511-D513 PolarHBondContact O-N 3.2Å; D513-L515 VanDerWaalsContact C-N 3.3Å; D513-L515 PolarHBondContact O-N 2.8Å; D513-Q516 PolarHBondContact O-N 3.47Å; D513-I517 WeakPolarHBondContact O-CG1 3.35Å; D513-I517 PolarHBondContact O-N 3.44Å; D513-I517 VanDerWaalsContact O-N 3.08Å |
| 514 | S | 83.1 | Confident | 78.6 | Confident | 44 Ų | 44 | 91.9 Ų | 91.9 | 31% | 0.308 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.7 | -38.5 | 173.4 | -59 | 0 | 0 | 0 | 0 | 111.6 | D511 H518 | D511-S514 PolarHBondContact O-N 2.75Å; D511-S514 WeakPolarHBondContact OD1-CB 3.42Å; D511-S514 PolarHBondContact OD1-N 2.97Å; D511-S514 PolarHBondContact OD1-OG 2.85Å; S514-H518 WeakPolarHBondContact O-CB 3.18Å; S514-H518 PolarHBondContact O-N 2.83Å |
| 515 | L | 84.2 | Confident | 78.7 | Confident | 19 Ų | 19 | 89.8 Ų | 89.8 | 10% | 0.099 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 175.3 | 179.9 | 64.5 | 0 | 0 | 0 | 112.1 | C502 L509 D511 L512 D513 H518 I519 | C502-L515 HydrophobicContact CB-CD1 3.96Å; L509-L515 HydrophobicContact CD1-CB 4.18Å; L509-L515 HydrophobicContact CD1-CD1 4.01Å; D511-L515 PolarHBondContact O-N 2.77Å; L512-L515 WeakPolarHBondContact O-CB 3.49Å; L512-L515 PolarHBondContact O-N 3.49Å; D513-L515 VanDerWaalsContact C-N 3.3Å; D513-L515 PolarHBondContact O-N 2.8Å; L515-H518 PolarHBondContact O-N 3.31Å; L515-I519 HydrophobicContact CD1-CD1 3.79Å; L515-I519 HydrophobicContact CD1-CG1 3.96Å; L515-I519 HydrophobicContact CD2-CD1 4.32Å; L515-I519 HydrophobicContact CG-CD1 3.69Å; L515-I519 HydrophobicContact CG-CG1 4.26Å; L515-I519 WeakPolarHBondContact O-CB 3.3Å; L515-I519 WeakPolarHBondContact O-CG1 3.32Å; L515-I519 PolarHBondContact O-N 3.48Å |
| 516 | Q | 78.4 | Confident | 78.5 | Confident | 118 Ų | 118 | 91.3 Ų | 91.3 | 55% | 0.551 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -70 | -36.6 | -177.8 | -159.7 | 173 | -5.9 | 0 | 0 | 112.2 | L512 D513 M520 | L512-Q516 WeakPolarHBondContact O-CB 3.21Å; L512-Q516 PolarHBondContact O-N 2.76Å; D513-Q516 PolarHBondContact O-N 3.47Å; Q516-M520 PolarHBondContact O-N 2.79Å |
| 517 | I | 80.7 | Confident | 78.4 | Confident | 112 Ų | 112 | 89.4 Ų | 89.4 | 57% | 0.574 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -66 | -49.5 | 170.6 | -63.2 | 166.5 | 0 | 0 | 0 | 109.9 | D513 I519 M520 D521 | D513-I517 WeakPolarHBondContact O-CG1 3.35Å; D513-I517 PolarHBondContact O-N 3.44Å; D513-I517 VanDerWaalsContact O-N 3.08Å; I517-I519 PolarHBondContact O-N 3.4Å; I517-M520 VanDerWaalsContact O-CB 3.3Å; I517-M520 WeakPolarHBondContact O-CB 3.34Å; I517-M520 PolarHBondContact O-N 3.4Å; I517-M520 VanDerWaalsContact O-N 3.11Å; I517-D521 PolarHBondContact O-N 3.34Å |
| 518 | H | 83.1 | Confident | 78.4 | Confident | 36 Ų | 36 | 88.4 Ų | 88.4 | 17% | 0.167 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -60.7 | -41.7 | -178.9 | 176.2 | 95.5 | 0 | 0 | 0 | 112.5 | C502 C505 E507 L509 S514 L515 M520 D521 C522 | C502-H518 VanDerWaalsContact CB-CD2 3.5Å; C502-H518 WeakPolarHBondContact CB-CD2 3.26Å; C502-H518 PolarHBondContact SG-CD2 3.31Å; C502-H518 PolarHBondContact SG-NE2 2.93Å; C505-H518 VanDerWaalsContact SG-CE1 3.59Å; C505-H518 PolarHBondContact SG-NE2 2.79Å; E507-H518 IonicContact OE2-CE1 3.3Å; E507-H518 PolarHBondContact OE2-CE1 2.81Å; E507-H518 VanDerWaalsContact OE2-CE1 3.3Å; E507-H518 IonicContact OE2-ND1 3.85Å; L509-H518 HydrophobicContact CD1-CB 3.49Å; L509-H518 VanDerWaalsContact CD1-CB 3.49Å; S514-H518 WeakPolarHBondContact O-CB 3.18Å; S514-H518 PolarHBondContact O-N 2.83Å; L515-H518 PolarHBondContact O-N 3.31Å; H518-M520 PolarHBondContact O-N 3.34Å; H518-D521 PolarHBondContact O-N 3.05Å; H518-C522 WeakPolarHBondContact NE2-CB 3.23Å; H518-C522 PolarHBondContact NE2-SG 3.41Å; H518-C522 VanDerWaalsContact NE2-SG 3.37Å; H518-C522 WeakPolarHBondContact O-CB 3.46Å; H518-C522 PolarHBondContact O-N 3.22Å |
| 519 | I | 81.3 | Confident | 78.2 | Confident | 54 Ų | 54 | 86.5 Ų | 86.5 | 28% | 0.277 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.3 | -34.9 | 177.7 | -74 | 171 | 0 | 0 | 0 | 111.1 | L515 I517 I523 | L515-I519 HydrophobicContact CD1-CD1 3.79Å; L515-I519 HydrophobicContact CD1-CG1 3.96Å; L515-I519 HydrophobicContact CD2-CD1 4.32Å; L515-I519 HydrophobicContact CG-CD1 3.69Å; L515-I519 HydrophobicContact CG-CG1 4.26Å; L515-I519 WeakPolarHBondContact O-CB 3.3Å; L515-I519 WeakPolarHBondContact O-CG1 3.32Å; L515-I519 PolarHBondContact O-N 3.48Å; I517-I519 PolarHBondContact O-N 3.4Å; I519-I523 HydrophobicContact CG2-CD1 3.42Å; I519-I523 VanDerWaalsContact CG2-CD1 3.42Å; I519-I523 HydrophobicContact CG2-CG1 4.04Å; I519-I523 VanDerWaalsContact O-CB 3.3Å; I519-I523 WeakPolarHBondContact O-CB 3.46Å; I519-I523 VanDerWaalsContact O-CG1 3.3Å; I519-I523 WeakPolarHBondContact O-CG1 3.32Å; I519-I523 PolarHBondContact O-N 2.88Å |
| 520 | M | 76.5 | Confident | 78.1 | Confident | 129 Ų | 129 | 90.3 Ų | 90.3 | 64% | 0.635 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.5 | -40.7 | 178 | -148.9 | 83 | 67.1 | 0 | 0 | 112.1 | Q516 I517 H518 | Q516-M520 PolarHBondContact O-N 2.79Å; I517-M520 VanDerWaalsContact O-CB 3.3Å; I517-M520 WeakPolarHBondContact O-CB 3.34Å; I517-M520 PolarHBondContact O-N 3.4Å; I517-M520 VanDerWaalsContact O-N 3.11Å; H518-M520 PolarHBondContact O-N 3.34Å |
| 521 | D | 76 | Confident | 78 | Confident | 123 Ų | 123 | 88.6 Ų | 88.6 | 66% | 0.658 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -81.6 | -33.2 | 178.2 | -70.4 | -25.1 | 0 | 0 | 0 | 112.4 | I517 H518 | I517-D521 PolarHBondContact O-N 3.34Å; H518-D521 PolarHBondContact O-N 3.05Å |
| 522 | C | 80.9 | Confident | 77.8 | Confident | 24 Ų | 24 | 90 Ų | 90 | 16% | 0.162 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -83.7 | -18.4 | -174.5 | -161.6 | 0 | 0 | 0 | 0 | 112.5 | K504 H518 | K504-C522 WeakPolarHBondContact CD-O 3.5Å; K504-C522 VanDerWaalsContact CE-O 3.3Å; K504-C522 WeakPolarHBondContact CE-O 3.27Å; K504-C522 PolarHBondContact NZ-O 3.47Å; H518-C522 WeakPolarHBondContact NE2-CB 3.23Å; H518-C522 PolarHBondContact NE2-SG 3.41Å; H518-C522 VanDerWaalsContact NE2-SG 3.37Å; H518-C522 WeakPolarHBondContact O-CB 3.46Å; H518-C522 PolarHBondContact O-N 3.22Å |
| 523 | I | 71.4 | Confident | 77.7 | Confident | 123 Ų | 123 | 89.1 Ų | 89.1 | 63% | 0.631 | 47% | 0.466 | S | S | * | . | trans | -79.7 | -22.3 | 175.4 | -77.4 | 179.3 | 0 | 0 | 0 | 113.2 | I519 | I519-I523 HydrophobicContact CG2-CD1 3.42Å; I519-I523 VanDerWaalsContact CG2-CD1 3.42Å; I519-I523 HydrophobicContact CG2-CG1 4.04Å; I519-I523 VanDerWaalsContact O-CB 3.3Å; I519-I523 WeakPolarHBondContact O-CB 3.46Å; I519-I523 VanDerWaalsContact O-CG1 3.3Å; I519-I523 WeakPolarHBondContact O-CG1 3.32Å; I519-I523 PolarHBondContact O-N 2.88Å | ||
| 524 | N | 55.4 | Low | 77.4 | Confident | 178 Ų | 178 | 87.3 Ų | 87.3 | 95% | 0.952 | 46% | 0.456 | S | S | * | . | trans | -77.6 | 0 | 164.7 | -67.4 | -45.1 | 0 | 0 | 0 | 111.3 | K504 | K504-N524 PolarHBondContact NZ-OXT 3.31Š|
Retrieved 524 of 524 residues in 908.5 ms
(Link to these results)