| 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 | 40 | Very low | 40.6 | Very low | 240 Ų | 240 | 145.8 Ų | 145.8 | 100% | 1.182 | 85% | 0.846 | S | S | * | * | 0 | 122.8 | 0 | -73.9 | 85.1 | 160.7 | 0 | 0 | 108.7 | |||||
| 2 | G | 40 | Very low | 41.1 | Very low | 76 Ų | 76 | 142.4 Ų | 142.4 | 78% | 0.784 | 84% | 0.835 | S | S | * | * | trans | -86.4 | 172.9 | 168 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 3 | P | 41.2 | Very low | 41.2 | Very low | 134 Ų | 134 | 148.6 Ų | 148.6 | 87% | 0.87 | 84% | 0.836 | S | S | * | * | trans | -123.4 | 124.9 | 130.6 | 31.6 | -20.9 | 0 | 0 | 0 | 110.7 | ||||
| 4 | S | 34.3 | Very low | 41.4 | Very low | 119 Ų | 119 | 146.1 Ų | 146.1 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 131.7 | 172.1 | 45.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 5 | A | 38.7 | Very low | 41.6 | Very low | 90 Ų | 90 | 142.9 Ų | 142.9 | 74% | 0.744 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 151.2 | 166.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 6 | P | 40.9 | Very low | 41.8 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 130.2 | -179.8 | 27.4 | -32.7 | 0 | 0 | 0 | 112.3 | ||
| 7 | A | 38.8 | Very low | 41.9 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 132.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 8 | R | 41.8 | Very low | 42.1 | Very low | 235 Ų | 235 | 130.4 Ų | 130.4 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -70 | 136.8 | 172.5 | -67.5 | -179.5 | -177.5 | -165.5 | -0.6 | 110.3 | ||
| 9 | P | 42.1 | Very low | 42.3 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 147.1 | 175.8 | 28.7 | -31.3 | 0 | 0 | 0 | 112.2 | ||
| 10 | N | 41 | Very low | 42.8 | Very low | 136 Ų | 136 | 127.6 Ų | 127.6 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 130.2 | -177.7 | -75.2 | -36.7 | 0 | 0 | 0 | 112.6 | C12 W13 | N10-C12 PolarHBondContact O-N 3.37Å; N10-W13 PolarHBondContact O-N 2.95Å |
| 11 | R | 48 | Very low | 42.9 | Very low | 228 Ų | 228 | 123.4 Ų | 123.4 | 86% | 0.86 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -4.4 | -177.8 | -75 | -174.8 | 178.7 | -138.4 | 0.5 | 116.3 | ||
| 12 | C | 46.8 | Very low | 43.2 | Very low | 105 Ų | 105 | 113.5 Ų | 113.5 | 71% | 0.709 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -81.6 | -17.9 | 177.7 | -75.9 | 0 | 0 | 0 | 0 | 114.5 | N10 | N10-C12 PolarHBondContact O-N 3.37Å |
| 13 | W | 42.4 | Very low | 43.5 | Very low | 223 Ų | 223 | 118.6 Ų | 118.6 | 85% | 0.845 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -81.3 | -28.7 | 179 | -93.1 | 56.6 | 0 | 0 | 0 | 113 | N10 | N10-W13 PolarHBondContact O-N 2.95Å |
| 14 | V | 43 | Very low | 43.9 | Very low | 113 Ų | 113 | 116.9 Ų | 116.9 | 69% | 0.685 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -80.4 | -29 | -172.8 | -175.3 | 0 | 0 | 0 | 0 | 112.2 | ||
| 15 | T | 45.3 | Very low | 44.6 | Very low | 98 Ų | 98 | 120.5 Ų | 120.5 | 60% | 0.601 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -85.1 | -19.2 | -179.7 | 50.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 16 | A | 44.9 | Very low | 45.3 | Very low | 59 Ų | 59 | 121.2 Ų | 121.2 | 49% | 0.488 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -80.3 | -29.4 | 176 | 0 | 0 | 0 | 0 | 0 | 113 | T20 | A16-T20 PolarHBondContact O-OG1 3.37Å |
| 17 | A | 43.6 | Very low | 45.9 | Very low | 69 Ų | 69 | 119 Ų | 119 | 57% | 0.57 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -74.1 | -26.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 18 | A | 44.2 | Very low | 46.6 | Very low | 77 Ų | 77 | 118.7 Ų | 118.7 | 64% | 0.636 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -79.5 | -23 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 19 | L | 47 | Very low | 47.1 | Very low | 119 Ų | 119 | 112.1 Ų | 112.1 | 62% | 0.623 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -97.6 | -19.8 | -178.7 | -70.6 | 170.6 | 0 | 0 | 0 | 113.8 | ||
| 20 | T | 51.6 | Low | 47.5 | Very low | 84 Ų | 84 | 109.4 Ų | 109.4 | 52% | 0.515 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -85.5 | -30 | 177.9 | 53 | 0 | 0 | 0 | 0 | 113 | A16 I24 | A16-T20 PolarHBondContact O-OG1 3.37Å; T20-I24 WeakPolarHBondContact O-CB 3.37Å; T20-I24 VanDerWaalsContact O-CD1 3.31Å; T20-I24 WeakPolarHBondContact O-CD1 3.31Å; T20-I24 VanDerWaalsContact O-CG1 3.22Å; T20-I24 WeakPolarHBondContact O-CG1 3.47Å; T20-I24 PolarHBondContact O-N 3.18Å |
| 21 | G | 44.8 | Very low | 47.8 | Very low | 41 Ų | 41 | 110.3 Ų | 110.3 | 42% | 0.423 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -71.6 | -35.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R25 | G21-R25 WeakPolarHBondContact O-CG 3.39Å; G21-R25 PolarHBondContact O-N 3.39Å |
| 22 | G | 46.6 | Very low | 47.9 | Very low | 32 Ų | 32 | 104.9 Ų | 104.9 | 33% | 0.33 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -74.5 | -43.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R25 I26 | G22-R25 PolarHBondContact O-N 3.38Å; G22-I26 WeakPolarHBondContact O-CB 3.36Å; G22-I26 WeakPolarHBondContact O-CD1 3.37Å; G22-I26 WeakPolarHBondContact O-CG1 3.14Å; G22-I26 PolarHBondContact O-N 3.44Å |
| 23 | W | 45.4 | Very low | 47.8 | Very low | 183 Ų | 183 | 103.7 Ų | 103.7 | 69% | 0.693 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -72.9 | -33.1 | -176.8 | -73.9 | 67.2 | 0 | 0 | 0 | 112.7 | I26 T27 | W23-I26 PolarHBondContact O-N 3.42Å; W23-T27 WeakPolarHBondContact O-CB 3.36Å; W23-T27 VanDerWaalsContact O-CG2 3.28Å; W23-T27 WeakPolarHBondContact O-CG2 3.23Å; W23-T27 PolarHBondContact O-N 2.97Å; W23-T27 PolarHBondContact O-OG1 2.94Å |
| 24 | I | 50.6 | Low | 48 | Very low | 98 Ų | 98 | 97.9 Ų | 97.9 | 50% | 0.503 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71.3 | -36.6 | 175.9 | -65.6 | 169.6 | 0 | 0 | 0 | 111.4 | T20 T27 I28 | T20-I24 WeakPolarHBondContact O-CB 3.37Å; T20-I24 VanDerWaalsContact O-CD1 3.31Å; T20-I24 WeakPolarHBondContact O-CD1 3.31Å; T20-I24 VanDerWaalsContact O-CG1 3.22Å; T20-I24 WeakPolarHBondContact O-CG1 3.47Å; T20-I24 PolarHBondContact O-N 3.18Å; I24-T27 PolarHBondContact O-OG1 3.38Å; I24-I28 HydrophobicContact CG2-CD1 3.79Å; I24-I28 WeakPolarHBondContact O-CB 3.16Å; I24-I28 WeakPolarHBondContact O-CD1 3.22Å; I24-I28 WeakPolarHBondContact O-CG1 3.39Å; I24-I28 PolarHBondContact O-N 3.29Å |
| 25 | R | 50 | Low | 48 | Very low | 194 Ų | 194 | 97 Ų | 97 | 73% | 0.732 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -70.2 | -39.1 | 173.8 | -74.3 | -86.9 | -177.9 | 160.8 | -2 | 111.5 | G21 G22 V29 | G21-R25 WeakPolarHBondContact O-CG 3.39Å; G21-R25 PolarHBondContact O-N 3.39Å; G22-R25 PolarHBondContact O-N 3.38Å; R25-V29 WeakPolarHBondContact O-CB 3.28Å; R25-V29 VanDerWaalsContact O-CG2 3.23Å; R25-V29 WeakPolarHBondContact O-CG2 3.45Å; R25-V29 PolarHBondContact O-N 3.05Å |
| 26 | I | 51.9 | Low | 47.9 | Very low | 105 Ų | 105 | 98.2 Ų | 98.2 | 54% | 0.538 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.9 | -39.3 | 177.2 | -67.5 | 164.9 | 0 | 0 | 0 | 111 | G22 W23 S30 | G22-I26 WeakPolarHBondContact O-CB 3.36Å; G22-I26 WeakPolarHBondContact O-CD1 3.37Å; G22-I26 WeakPolarHBondContact O-CG1 3.14Å; G22-I26 PolarHBondContact O-N 3.44Å; W23-I26 PolarHBondContact O-N 3.42Å; I26-S30 WeakPolarHBondContact O-CB 3.16Å; I26-S30 PolarHBondContact O-N 3.49Å; I26-S30 PolarHBondContact O-OG 3.48Å; I26-S30 VanDerWaalsContact O-OG 3.11Å |
| 27 | T | 53.6 | Low | 48.2 | Very low | 80 Ų | 80 | 101.4 Ų | 101.4 | 49% | 0.491 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.9 | -34.7 | 175.7 | 55.4 | 0 | 0 | 0 | 0 | 112.4 | W23 I24 F31 | W23-T27 WeakPolarHBondContact O-CB 3.36Å; W23-T27 VanDerWaalsContact O-CG2 3.28Å; W23-T27 WeakPolarHBondContact O-CG2 3.23Å; W23-T27 PolarHBondContact O-N 2.97Å; W23-T27 PolarHBondContact O-OG1 2.94Å; I24-T27 PolarHBondContact O-OG1 3.38Å; T27-F31 WeakPolarHBondContact O-CB 2.78Å; T27-F31 PolarHBondContact O-N 3.45Å |
| 28 | I | 54.4 | Low | 48 | Very low | 93 Ų | 93 | 106.1 Ų | 106.1 | 48% | 0.477 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -70.1 | -40.3 | 174.9 | -68.1 | 167.6 | 0 | 0 | 0 | 111.2 | I24 L32 | I24-I28 HydrophobicContact CG2-CD1 3.79Å; I24-I28 WeakPolarHBondContact O-CB 3.16Å; I24-I28 WeakPolarHBondContact O-CD1 3.22Å; I24-I28 WeakPolarHBondContact O-CG1 3.39Å; I24-I28 PolarHBondContact O-N 3.29Å; I28-L32 HydrophobicContact CG2-CD1 4.1Å; I28-L32 WeakPolarHBondContact O-CB 3.3Å; I28-L32 VanDerWaalsContact O-CG 3.3Å; I28-L32 WeakPolarHBondContact O-CG 3.39Å; I28-L32 PolarHBondContact O-N 3.11Å |
| 29 | V | 51.8 | Low | 47.6 | Very low | 96 Ų | 96 | 110.7 Ų | 110.7 | 58% | 0.582 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -72.3 | -35.8 | 176.2 | 175 | 0 | 0 | 0 | 0 | 111.4 | R25 A33 | R25-V29 WeakPolarHBondContact O-CB 3.28Å; R25-V29 VanDerWaalsContact O-CG2 3.23Å; R25-V29 WeakPolarHBondContact O-CG2 3.45Å; R25-V29 PolarHBondContact O-N 3.05Å; V29-A33 WeakPolarHBondContact O-CB 3.17Å; V29-A33 PolarHBondContact O-N 3.48Å |
| 30 | S | 50.4 | Low | 47.4 | Very low | 64 Ų | 64 | 112.6 Ų | 112.6 | 45% | 0.448 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -71.1 | -34.6 | 172.7 | -72.5 | 0 | 0 | 0 | 0 | 112.7 | I26 A33 T34 | I26-S30 WeakPolarHBondContact O-CB 3.16Å; I26-S30 PolarHBondContact O-N 3.49Å; I26-S30 PolarHBondContact O-OG 3.48Å; I26-S30 VanDerWaalsContact O-OG 3.11Å; S30-A33 CarbonylContact O-C 3.59Å; S30-A33 PolarHBondContact O-N 3.34Å; S30-T34 VanDerWaalsContact O-CG2 3.3Å; S30-T34 WeakPolarHBondContact O-CG2 3.3Å; S30-T34 PolarHBondContact O-N 2.99Å; S30-T34 PolarHBondContact O-OG1 3.23Å; S30-T34 VanDerWaalsContact O-OG1 3.09Å |
| 31 | F | 48.5 | Very low | 47.1 | Very low | 156 Ų | 156 | 119.3 Ų | 119.3 | 68% | 0.684 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -73 | -32.7 | 176.1 | -153.1 | -96.9 | 0 | 0 | 0 | 111.8 | T27 T34 L35 | T27-F31 WeakPolarHBondContact O-CB 2.78Å; T27-F31 PolarHBondContact O-N 3.45Å; F31-T34 WeakPolarHBondContact CA-OG1 3.31Å; F31-T34 PolarHBondContact O-OG1 2.85Å; F31-L35 PolarHBondContact O-N 2.78Å |
| 32 | L | 48.3 | Very low | 47.1 | Very low | 113 Ų | 113 | 121.8 Ų | 121.8 | 59% | 0.592 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -74.9 | -23.5 | 169.8 | -71 | 170.5 | 0 | 0 | 0 | 112.9 | I28 L35 | I28-L32 HydrophobicContact CG2-CD1 4.1Å; I28-L32 WeakPolarHBondContact O-CB 3.3Å; I28-L32 VanDerWaalsContact O-CG 3.3Å; I28-L32 WeakPolarHBondContact O-CG 3.39Å; I28-L32 PolarHBondContact O-N 3.11Å; L32-L35 HydrophobicContact CD2-CD1 3.97Å |
| 33 | A | 46 | Very low | 46.5 | Very low | 80 Ų | 80 | 130.1 Ų | 130.1 | 66% | 0.661 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -89.9 | -11.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V29 S30 | V29-A33 WeakPolarHBondContact O-CB 3.17Å; V29-A33 PolarHBondContact O-N 3.48Å; S30-A33 CarbonylContact O-C 3.59Å; S30-A33 PolarHBondContact O-N 3.34Å |
| 34 | T | 46.1 | Very low | 46.3 | Very low | 101 Ų | 101 | 125.1 Ų | 125.1 | 62% | 0.62 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -97.4 | 1.1 | 169.3 | 56.1 | 0 | 0 | 0 | 0 | 113 | S30 F31 P36 | S30-T34 VanDerWaalsContact O-CG2 3.3Å; S30-T34 WeakPolarHBondContact O-CG2 3.3Å; S30-T34 PolarHBondContact O-N 2.99Å; S30-T34 PolarHBondContact O-OG1 3.23Å; S30-T34 VanDerWaalsContact O-OG1 3.09Å; F31-T34 WeakPolarHBondContact CA-OG1 3.31Å; F31-T34 PolarHBondContact O-OG1 2.85Å; T34-P36 WeakPolarHBondContact O-CD 3.47Å |
| 35 | L | 43.3 | Very low | 46.1 | Very low | 96 Ų | 96 | 126.9 Ų | 126.9 | 50% | 0.503 | 68% | 0.681 | S | S | . | * | S | Bend | trans | -67.7 | 118.3 | 159.7 | -70.7 | 172.5 | 0 | 0 | 0 | 106.6 | F31 L32 V37 | F31-L35 PolarHBondContact O-N 2.78Å; L32-L35 HydrophobicContact CD2-CD1 3.97Å; L35-V37 VanDerWaalsContact C-N 3.29Å; L35-V37 PolarHBondContact O-N 3.5Å |
| 36 | P | 42.3 | Very low | 45.8 | Very low | 122 Ų | 122 | 120.9 Ų | 120.9 | 79% | 0.792 | 67% | 0.668 | S | S | * | * | trans | -68.4 | 92.8 | 178.4 | 28.4 | -31.9 | 0 | 0 | 0 | 108.7 | T34 E38 | T34-P36 WeakPolarHBondContact O-CD 3.47Å; P36-E38 VanDerWaalsContact C-N 3.25Å; P36-E38 PolarHBondContact O-N 3.19Å | ||
| 37 | V | 51.1 | Low | 45.7 | Very low | 127 Ų | 127 | 124.1 Ų | 124.1 | 77% | 0.77 | 69% | 0.686 | S | S | * | * | trans | -83.5 | 79.4 | 159 | -177.9 | 0 | 0 | 0 | 0 | 106.2 | L35 | L35-V37 VanDerWaalsContact C-N 3.29Å; L35-V37 PolarHBondContact O-N 3.5Å | ||
| 38 | E | 39.4 | Very low | 45.6 | Very low | 167 Ų | 167 | 124.3 Ų | 124.3 | 78% | 0.78 | 69% | 0.69 | S | S | * | * | trans | 170 | 93.8 | 145.5 | -100 | 164.4 | 137.7 | 0 | 0 | 110.5 | P36 | P36-E38 VanDerWaalsContact C-N 3.25Å; P36-E38 PolarHBondContact O-N 3.19Å | ||
| 39 | Q | 37.4 | Very low | 45.1 | Very low | 174 Ų | 174 | 125.9 Ų | 125.9 | 81% | 0.813 | 70% | 0.699 | S | S | * | * | -139 | 71.4 | 121.9 | -84.3 | -64.8 | -10.9 | 0 | 0 | 106.6 | R41 | Q39-R41 PolarHBondContact OE1-O 3.41Š| |||
| 40 | L | 42.6 | Very low | 45 | Very low | 159 Ų | 159 | 126.6 Ų | 126.6 | 83% | 0.832 | 71% | 0.707 | S | S | * | * | trans | -76.9 | 123.7 | 147.5 | -90.4 | 161.3 | 0 | 0 | 0 | 105.9 | ||||
| 41 | R | 44.6 | Very low | 45.1 | Very low | 225 Ų | 225 | 131.4 Ų | 131.4 | 85% | 0.849 | 72% | 0.723 | S | S | * | * | S | Bend | trans | 89.8 | 119.7 | -170.4 | -58.2 | -176.3 | -179.2 | 147.4 | 0.8 | 112.7 | Q39 | Q39-R41 PolarHBondContact OE1-O 3.41Š|
| 42 | A | 45.2 | Very low | 44.8 | Very low | 93 Ų | 93 | 130.1 Ų | 130.1 | 77% | 0.769 | 73% | 0.728 | S | S | * | * | cis | -156.3 | 124.1 | 1.9 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 43 | F | 34.1 | Very low | 44.9 | Very low | 207 Ų | 207 | 130.4 Ų | 130.4 | 91% | 0.908 | 74% | 0.737 | S | S | * | * | trans | -89.2 | 137.5 | 156.9 | -78.7 | -78 | 0 | 0 | 0 | 107.4 | ||||
| 44 | P | 40.2 | Very low | 45.1 | Very low | 77 Ų | 77 | 131.9 Ų | 131.9 | 50% | 0.5 | 74% | 0.738 | S | S | . | * | trans | -64.8 | 136.6 | -172.2 | 26.8 | -33.3 | 0 | 0 | 0 | 110.1 | S46 | P44-S46 PolarHBondContact O-N 3Å; P44-S46 VanDerWaalsContact O-N 3.11Å | ||
| 45 | S | 46.1 | Very low | 45.4 | Very low | 136 Ų | 136 | 131.3 Ų | 131.3 | 95% | 0.951 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -78.2 | 24.7 | 176.3 | 40.2 | 0 | 0 | 0 | 0 | 113.3 | ||
| 46 | S | 44.9 | Very low | 45.4 | Very low | 67 Ų | 67 | 137.3 Ų | 137.3 | 47% | 0.469 | 77% | 0.768 | S | S | . | * | S | Bend | trans | -158.9 | 141.3 | -177.6 | 176.2 | 0 | 0 | 0 | 0 | 112.7 | P44 S48 | P44-S46 PolarHBondContact O-N 3Å; P44-S46 VanDerWaalsContact O-N 3.11Å; S46-S48 PolarHBondContact O-N 2.89Å; S46-S48 PolarHBondContact OG-OG 3.29Å; S46-S48 VanDerWaalsContact OG-OG 3.13Å |
| 47 | L | 49.5 | Very low | 45.7 | Very low | 174 Ų | 174 | 138.4 Ų | 138.4 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 59.2 | 169.4 | -165.9 | 84.4 | 0 | 0 | 0 | 110.9 | ||
| 48 | S | 51.9 | Low | 45.6 | Very low | 84 Ų | 84 | 138.1 Ų | 138.1 | 59% | 0.587 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.2 | -2.6 | 176.1 | 58.1 | 0 | 0 | 0 | 0 | 115.6 | S46 | S46-S48 PolarHBondContact O-N 2.89Å; S46-S48 PolarHBondContact OG-OG 3.29Å; S46-S48 VanDerWaalsContact OG-OG 3.13Å |
| 49 | D | 42.7 | Very low | 46.2 | Very low | 125 Ų | 125 | 134.4 Ų | 134.4 | 67% | 0.668 | 76% | 0.762 | S | S | * | * | trans | -103.3 | 16.8 | -179.4 | -72.3 | -24.8 | 0 | 0 | 0 | 114.6 | Q51 | D49-Q51 PolarHBondContact O-N 2.92Š| ||
| 50 | C | 50.8 | Low | 47.1 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 75% | 0.75 | 76% | 0.757 | S | S | * | * | trans | -78.8 | 69.5 | 170.1 | -77.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 51 | Q | 51.4 | Low | 47 | Very low | 165 Ų | 165 | 130.9 Ų | 130.9 | 77% | 0.771 | 76% | 0.757 | S | S | * | * | trans | -132.5 | 124 | 163.9 | -139.6 | 85.8 | 9.1 | 0 | 0 | 110.5 | D49 | D49-Q51 PolarHBondContact O-N 2.92Š| ||
| 52 | T | 43 | Very low | 47 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 102.7 | 159.1 | 167 | 80.6 | 0 | 0 | 0 | 0 | 117.8 | ||
| 53 | P | 49.1 | Very low | 47.2 | Very low | 120 Ų | 120 | 129.5 Ų | 129.5 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | S | Bend | -125.5 | 66 | -86.5 | 35 | -14.9 | 0 | 0 | 0 | 109.7 | |||
| 54 | T | 50.5 | Low | 48 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -140.6 | 110.6 | 167.2 | 51.1 | 0 | 0 | 0 | 0 | 107.4 | W56 | T54-W56 VanDerWaalsContact O-CD1 3.25Å; T54-W56 PolarHBondContact O-N 2.81Å; T54-W56 VanDerWaalsContact O-N 3.09Å |
| 55 | G | 53.6 | Low | 48.4 | Very low | 89 Ų | 89 | 134.5 Ų | 134.5 | 92% | 0.918 | 77% | 0.768 | S | S | * | * | trans | -63.5 | 105 | -164.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 56 | W | 42.2 | Very low | 48.7 | Very low | 223 Ų | 223 | 133.5 Ų | 133.5 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | trans | -109.9 | 121.8 | 163.4 | -69.3 | 85.9 | 0 | 0 | 0 | 108.9 | T54 C58 | T54-W56 VanDerWaalsContact O-CD1 3.25Å; T54-W56 PolarHBondContact O-N 2.81Å; T54-W56 VanDerWaalsContact O-N 3.09Å; W56-C58 PolarHBondContact O-N 3.09Å | ||
| 57 | N | 49.7 | Very low | 48.9 | Very low | 144 Ų | 144 | 137 Ų | 137 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | trans | -79 | 110.8 | 175.9 | -179.2 | 5.5 | 0 | 0 | 0 | 108.9 | S59 | N57-S59 PolarHBondContact ND2-OG 3.37Å; N57-S59 PolarHBondContact O-N 3.48Å; N57-S59 PolarHBondContact OD1-OG 2.75Å | ||
| 58 | C | 48.5 | Very low | 49.1 | Very low | 122 Ų | 122 | 134.9 Ų | 134.9 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | trans | -88.7 | 88.8 | 173.7 | -64.6 | 0 | 0 | 0 | 0 | 108.9 | W56 | W56-C58 PolarHBondContact O-N 3.09Š| ||
| 59 | S | 52.6 | Low | 49.4 | Very low | 88 Ų | 88 | 137.1 Ų | 137.1 | 62% | 0.615 | 76% | 0.757 | S | S | * | * | trans | -149.3 | 120.7 | 165.5 | 41.8 | 0 | 0 | 0 | 0 | 111.4 | N57 | N57-S59 PolarHBondContact ND2-OG 3.37Å; N57-S59 PolarHBondContact O-N 3.48Å; N57-S59 PolarHBondContact OD1-OG 2.75Å | ||
| 60 | G | 55.8 | Low | 50.2 | Low | 70 Ų | 70 | 136.4 Ų | 136.4 | 72% | 0.722 | 75% | 0.753 | S | S | * | * | trans | 96.5 | 89 | 154.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 61 | F | 39.8 | Very low | 50.9 | Low | 190 Ų | 190 | 133.4 Ų | 133.4 | 83% | 0.833 | 73% | 0.733 | S | S | * | * | trans | -156.8 | 80.2 | 143.7 | -104.2 | -77.8 | 0 | 0 | 0 | 107.6 | D63 | F61-D63 VanDerWaalsContact C-N 3.3Å; F61-D63 HydrophobicContact CD1-CB 4.34Å; F61-D63 VanDerWaalsContact CD1-OD2 3.26Å; F61-D63 WeakPolarHBondContact CD1-OD2 3.3Å; F61-D63 VanDerWaalsContact CE1-OD2 3.27Å; F61-D63 WeakPolarHBondContact CE1-OD2 3.14Å; F61-D63 PolarHBondContact O-N 2.85Å | ||
| 62 | D | 46 | Very low | 51.6 | Low | 174 Ų | 174 | 130.5 Ų | 130.5 | 93% | 0.93 | 72% | 0.723 | S | S | * | * | trans | -89.5 | 78.1 | 162.5 | -123.5 | -38.9 | 0 | 0 | 0 | 106.9 | ||||
| 63 | D | 48.8 | Very low | 52.5 | Low | 115 Ų | 115 | 130.3 Ų | 130.3 | 62% | 0.615 | 72% | 0.721 | S | S | * | * | trans | -109.3 | 97.7 | 170.3 | -99.6 | -31.9 | 0 | 0 | 0 | 107.6 | F61 | F61-D63 VanDerWaalsContact C-N 3.3Å; F61-D63 HydrophobicContact CD1-CB 4.34Å; F61-D63 VanDerWaalsContact CD1-OD2 3.26Å; F61-D63 WeakPolarHBondContact CD1-OD2 3.3Å; F61-D63 VanDerWaalsContact CE1-OD2 3.27Å; F61-D63 WeakPolarHBondContact CE1-OD2 3.14Å; F61-D63 PolarHBondContact O-N 2.85Å | ||
| 64 | R | 51.2 | Low | 53.2 | Low | 245 Ų | 245 | 130.5 Ų | 130.5 | 93% | 0.925 | 72% | 0.716 | S | S | * | * | trans | -142.9 | 92.6 | 150.5 | -75.3 | -154.8 | -178.2 | -153.3 | 3 | 111.6 | ||||
| 65 | D | 47.8 | Very low | 54.3 | Low | 144 Ų | 144 | 127.7 Ų | 127.7 | 77% | 0.77 | 70% | 0.701 | S | S | * | * | trans | -69.8 | 133 | 159.6 | -106.4 | -40 | 0 | 0 | 0 | 111.4 | ||||
| 66 | T | 53.3 | Low | 55.5 | Low | 115 Ų | 115 | 124 Ų | 124 | 71% | 0.706 | 66% | 0.661 | S | S | * | * | S | Bend | trans | 65.2 | 111.7 | 154.5 | 57.3 | 0 | 0 | 0 | 0 | 121.1 | ||
| 67 | D | 49.6 | Very low | 57.2 | Low | 140 Ų | 140 | 119.5 Ų | 119.5 | 75% | 0.749 | 65% | 0.647 | S | S | * | * | trans | 69.6 | 51.3 | 138.5 | -59.6 | -20.4 | 0 | 0 | 0 | 120.4 | ||||
| 68 | L | 53.2 | Low | 58.7 | Low | 129 Ų | 129 | 115.4 Ų | 115.4 | 68% | 0.675 | 62% | 0.623 | S | S | * | * | trans | -131.2 | 98 | 144 | -161.5 | 72.4 | 0 | 0 | 0 | 107.3 | L70 | L68-L70 HydrophobicContact CD2-CD1 3.99Å; L68-L70 HydrophobicContact CG-CD1 4.37Å; L68-L70 PolarHBondContact O-N 3.45Å | ||
| 69 | F | 58.4 | Low | 60 | Low | 131 Ų | 131 | 115.9 Ų | 115.9 | 58% | 0.575 | 62% | 0.617 | S | S | * | * | trans | -59.6 | 82.5 | 170.7 | -74.1 | -88.8 | 0 | 0 | 0 | 109.1 | V89 | F69-V89 HydrophobicContact CB-CG2 4.01Å; F69-V89 HydrophobicContact CD1-CG2 3.92Å; F69-V89 HydrophobicContact CG-CG2 4.38Å | ||
| 70 | L | 59.8 | Low | 61.3 | Low | 110 Ų | 110 | 112.3 Ų | 112.3 | 58% | 0.576 | 60% | 0.595 | S | S | * | * | trans | -91.9 | 134.1 | 170.9 | -141.6 | 73.7 | 0 | 0 | 0 | 105.4 | L68 D72 | L68-L70 HydrophobicContact CD2-CD1 3.99Å; L68-L70 HydrophobicContact CG-CD1 4.37Å; L68-L70 PolarHBondContact O-N 3.45Å; L70-D72 PolarHBondContact O-N 3.18Å | ||
| 71 | C | 65.2 | Low | 62.7 | Low | 49 Ų | 49 | 115.7 Ų | 115.7 | 33% | 0.331 | 59% | 0.591 | S | S | . | * | trans | -61.9 | 90.4 | 163.5 | -81.9 | 0 | 0 | 0 | 0 | 107.4 | C82 | C71-C82 WeakPolarHBondContact CA-SG 3.31Å; C71-C82 HydrophobicContact CB-CB 3.5Å; C71-C82 VanDerWaalsContact CB-CB 3.5Å; C71-C82 WeakPolarHBondContact CB-SG 3.31Å; C71-C82 WeakPolarHBondContact SG-CB 3.25Å; C71-C82 PolarHBondContact SG-O 3.26Å; C71-C82 CovalentContact SG-SG 2.03Å; C71-C82 PolarHBondContact SG-SG 2.93Å | ||
| 72 | D | 64.9 | Low | 64.8 | Low | 103 Ų | 103 | 108 Ų | 108 | 55% | 0.551 | 56% | 0.561 | S | S | * | * | trans | -81.8 | 160.4 | 174.6 | -155.2 | -3.7 | 0 | 0 | 0 | 108.6 | L70 N74 S75 | L70-D72 PolarHBondContact O-N 3.18Å; D72-N74 PolarHBondContact O-N 3.27Å; D72-S75 PolarHBondContact N-OG 3.27Å; D72-S75 VanDerWaalsContact N-OG 3.14Å; D72-S75 PolarHBondContact O-N 2.92Å; D72-S75 PolarHBondContact O-OG 3.32Å | ||
| 73 | T | 61.9 | Low | 66.6 | Low | 125 Ų | 125 | 103.5 Ų | 103.5 | 77% | 0.767 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -13.5 | -179.6 | 46.4 | 0 | 0 | 0 | 0 | 113.4 | ||
| 74 | N | 63.6 | Low | 68 | Low | 125 Ų | 125 | 104 Ų | 104 | 67% | 0.668 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.8 | 0.6 | -178.1 | -63.4 | 16.5 | 0 | 0 | 0 | 113.6 | D72 | D72-N74 PolarHBondContact O-N 3.27Š|
| 75 | S | 74.7 | Confident | 69.3 | Low | 51 Ų | 51 | 97.5 Ų | 97.5 | 36% | 0.357 | 51% | 0.512 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -35.3 | -178.2 | -58.9 | 0 | 0 | 0 | 0 | 113.3 | D72 | D72-S75 PolarHBondContact N-OG 3.27Å; D72-S75 VanDerWaalsContact N-OG 3.14Å; D72-S75 PolarHBondContact O-N 2.92Å; D72-S75 PolarHBondContact O-OG 3.32Å |
| 76 | C | 78.7 | Confident | 70.6 | Confident | 12 Ų | 12 | 93.2 Ų | 93.2 | 8% | 0.081 | 50% | 0.502 | C | S | . | . | S | Bend | trans | -116.4 | 109.2 | 172.6 | -65.9 | 0 | 0 | 0 | 0 | 108.6 | G80 C82 C91 | C76-G80 WeakPolarHBondContact CB-O 3.34Å; C76-C82 HydrophobicContact CB-CB 4.32Å; C76-C82 VanDerWaalsContact SG-CB 3.55Å; C76-C91 VanDerWaalsContact CA-SG 3.51Å; C76-C91 HydrophobicContact CB-CB 3.84Å; C76-C91 WeakPolarHBondContact CB-SG 3.25Å; C76-C91 WeakPolarHBondContact SG-CA 3.32Å; C76-C91 WeakPolarHBondContact SG-CB 3.14Å; C76-C91 CovalentContact SG-SG 2.03Å; C76-C91 PolarHBondContact SG-SG 2.86Å |
| 77 | K | 76.8 | Confident | 71.3 | Confident | 127 Ų | 127 | 94.5 Ų | 94.5 | 55% | 0.552 | 51% | 0.505 | S | S | * | . | trans | -78.7 | 157.7 | 174.7 | -67.2 | -174.1 | 177.2 | -176.7 | 0 | 110.6 | Q126 | K77-Q126 PolarHBondContact O-NE2 3.36Å; K77-Q126 VanDerWaalsContact O-NE2 3.09Å | ||
| 78 | F | 82.1 | Confident | 72 | Confident | 59 Ų | 59 | 94.4 Ų | 94.4 | 26% | 0.259 | 50% | 0.501 | S | S | . | . | S | Bend | trans | 65 | 57.2 | 176.3 | -42.8 | -74.3 | 0 | 0 | 0 | 113.2 | G80 F95 A122 C123 E128 | F78-G80 PolarHBondContact O-N 2.83Å; F78-F95 WeakPolarHBondContact O-CZ 3.32Å; F78-A122 HydrophobicContact CB-CB 4.35Å; F78-A122 HydrophobicContact CD1-CB 4.43Å; F78-A122 HydrophobicContact CD2-CB 4.35Å; F78-A122 HydrophobicContact CG-CB 4.1Å; F78-C123 HydrophobicContact CB-CB 4.27Å; F78-C123 WeakPolarHBondContact O-CB 3.44Å; F78-E128 HydrophobicContact CE1-CB 3.77Å; F78-E128 HydrophobicContact CE1-CG 3.87Å; F78-E128 HydrophobicContact CZ-CB 3.57Å; F78-E128 HydrophobicContact CZ-CG 4.21Å |
| 79 | D | 75.1 | Confident | 73.1 | Confident | 131 Ų | 131 | 90.6 Ų | 90.6 | 70% | 0.701 | 48% | 0.483 | S | S | * | . | S | Bend | trans | 55.3 | 24.7 | 172.4 | -58.5 | -33.5 | 0 | 0 | 0 | 116 | F95 | D79-F95 HydrophobicContact CB-CE1 4.01Å; D79-F95 HydrophobicContact CB-CZ 4.01Å |
| 80 | G | 81.5 | Confident | 74.2 | Confident | 14 Ų | 14 | 86.8 Ų | 86.8 | 14% | 0.144 | 47% | 0.471 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 136.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.8 | C76 F78 C82 C123 | C76-G80 WeakPolarHBondContact CB-O 3.34Å; F78-G80 PolarHBondContact O-N 2.83Å; G80-C82 PolarHBondContact O-N 2.8Å; G80-C123 WeakPolarHBondContact CA-SG 3.43Å |
| 81 | E | 84.8 | Confident | 75.5 | Confident | 140 Ų | 140 | 83.4 Ų | 83.4 | 65% | 0.654 | 46% | 0.456 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 120.3 | 174.4 | -170.5 | 177.5 | -173.6 | 0 | 0 | 109.8 | L83 I92 | E81-L83 PolarHBondContact O-N 3.25Å; E81-I92 HydrophobicContact CB-CB 4.41Å; E81-I92 PolarHBondContact N-O 3.42Å; E81-I92 WeakPolarHBondContact O-CB 3.28Å; E81-I92 PolarHBondContact O-N 3.26Å |
| 82 | C | 83.4 | Confident | 76.5 | Confident | 30 Ų | 30 | 84 Ų | 84 | 20% | 0.203 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 117.8 | 179.7 | -175 | 0 | 0 | 0 | 0 | 110.5 | C71 C76 G80 V89 | C71-C82 WeakPolarHBondContact CA-SG 3.31Å; C71-C82 HydrophobicContact CB-CB 3.5Å; C71-C82 VanDerWaalsContact CB-CB 3.5Å; C71-C82 WeakPolarHBondContact CB-SG 3.31Å; C71-C82 WeakPolarHBondContact SG-CB 3.25Å; C71-C82 PolarHBondContact SG-O 3.26Å; C71-C82 CovalentContact SG-SG 2.03Å; C71-C82 PolarHBondContact SG-SG 2.93Å; C76-C82 HydrophobicContact CB-CB 4.32Å; C76-C82 VanDerWaalsContact SG-CB 3.55Å; G80-C82 PolarHBondContact O-N 2.8Å; C82-V89 WeakPolarHBondContact SG-CG1 3.39Å |
| 83 | L | 83.1 | Confident | 77.7 | Confident | 78 Ų | 78 | 80 Ų | 80 | 41% | 0.408 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 136.5 | 173.2 | -169.5 | 70.3 | 0 | 0 | 0 | 110.7 | E81 I85 T90 I92 | E81-L83 PolarHBondContact O-N 3.25Å; L83-I85 HydrophobicContact CD2-CD1 4.09Å; L83-I85 HydrophobicContact CD2-CG1 3.95Å; L83-I85 HydrophobicContact CG-CG1 4.24Å; L83-T90 PolarHBondContact N-O 3.43Å; L83-T90 PolarHBondContact O-N 3.46Å; L83-I92 HydrophobicContact CB-CD1 3.61Å; L83-I92 HydrophobicContact CB-CG1 4.17Å; L83-I92 HydrophobicContact CD2-CD1 3.7Å; L83-I92 HydrophobicContact CG-CD1 4.23Å |
| 84 | R | 78.9 | Confident | 78.9 | Confident | 125 Ų | 125 | 79.1 Ų | 79.1 | 47% | 0.472 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 113 | 173.4 | -176 | -179.7 | 173.9 | 173.7 | 1.8 | 110.1 | G86 | R84-G86 PolarHBondContact NE-O 3.2Å |
| 85 | I | 78.8 | Confident | 80 | Confident | 110 Ų | 110 | 74.7 Ų | 74.7 | 56% | 0.564 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 94.9 | 171.8 | -54.8 | 174.8 | 0 | 0 | 0 | 107.4 | L83 N87 M88 | L83-I85 HydrophobicContact CD2-CD1 4.09Å; L83-I85 HydrophobicContact CD2-CG1 3.95Å; L83-I85 HydrophobicContact CG-CG1 4.24Å; I85-N87 PolarHBondContact O-N 3.26Å; I85-M88 PolarHBondContact N-O 2.95Å; I85-M88 VanDerWaalsContact N-O 3.13Å; I85-M88 PolarHBondContact O-N 3.5Å |
| 86 | G | 74.1 | Confident | 80.6 | Confident | 53 Ų | 53 | 80.5 Ų | 80.5 | 55% | 0.546 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.6 | -115.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R84 | R84-G86 PolarHBondContact NE-O 3.2Š|
| 87 | N | 68.1 | Low | 81.2 | Confident | 143 Ų | 143 | 81 Ų | 81 | 77% | 0.765 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | 3.9 | 175.8 | -79 | 5.7 | 0 | 0 | 0 | 113.2 | I85 | I85-N87 PolarHBondContact O-N 3.26Š|
| 88 | M | 64.8 | Low | 81.7 | Confident | 137 Ų | 137 | 79.5 Ų | 79.5 | 68% | 0.675 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 130.3 | 178.7 | -164.7 | 172.8 | -171.7 | 0 | 0 | 109.8 | I85 | I85-M88 PolarHBondContact N-O 2.95Å; I85-M88 VanDerWaalsContact N-O 3.13Å; I85-M88 PolarHBondContact O-N 3.5Å |
| 89 | V | 76.1 | Confident | 81.9 | Confident | 49 Ų | 49 | 82.3 Ų | 82.3 | 30% | 0.297 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 128.1 | 171.2 | -179.2 | 0 | 0 | 0 | 0 | 107.8 | F69 C82 | F69-V89 HydrophobicContact CB-CG2 4.01Å; F69-V89 HydrophobicContact CD1-CG2 3.92Å; F69-V89 HydrophobicContact CG-CG2 4.38Å; C82-V89 WeakPolarHBondContact SG-CG1 3.39Å |
| 90 | T | 81.4 | Confident | 82.6 | Confident | 52 Ų | 52 | 80.9 Ų | 80.9 | 32% | 0.319 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 129.7 | -177.9 | -54 | 0 | 0 | 0 | 0 | 110.1 | L83 | L83-T90 PolarHBondContact N-O 3.43Å; L83-T90 PolarHBondContact O-N 3.46Å |
| 91 | C | 86.6 | Confident | 82.9 | Confident | 38 Ų | 38 | 87.6 Ų | 87.6 | 26% | 0.257 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 118.6 | 176 | -58.4 | 0 | 0 | 0 | 0 | 110.4 | C76 | C76-C91 VanDerWaalsContact CA-SG 3.51Å; C76-C91 HydrophobicContact CB-CB 3.84Å; C76-C91 WeakPolarHBondContact CB-SG 3.25Å; C76-C91 WeakPolarHBondContact SG-CA 3.32Å; C76-C91 WeakPolarHBondContact SG-CB 3.14Å; C76-C91 CovalentContact SG-SG 2.03Å; C76-C91 PolarHBondContact SG-SG 2.86Å |
| 92 | I | 88.1 | Confident | 83.2 | Confident | 63 Ų | 63 | 83.6 Ų | 83.6 | 32% | 0.323 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 112.4 | 175.8 | -57.4 | -179.9 | 0 | 0 | 0 | 108.1 | E81 L83 D94 | E81-I92 HydrophobicContact CB-CB 4.41Å; E81-I92 PolarHBondContact N-O 3.42Å; E81-I92 WeakPolarHBondContact O-CB 3.28Å; E81-I92 PolarHBondContact O-N 3.26Å; L83-I92 HydrophobicContact CB-CD1 3.61Å; L83-I92 HydrophobicContact CB-CG1 4.17Å; L83-I92 HydrophobicContact CD2-CD1 3.7Å; L83-I92 HydrophobicContact CG-CD1 4.23Å; I92-D94 HydrophobicContact CG2-CB 4.14Å; I92-D94 PolarHBondContact O-N 2.94Å |
| 93 | C | 89.2 | Confident | 83.6 | Confident | 19 Ų | 19 | 83.5 Ų | 83.5 | 13% | 0.128 | 44% | 0.443 | C | S | . | . | trans | -100.5 | 59.8 | -179.5 | -54.4 | 0 | 0 | 0 | 0 | 110.7 | F95 R120 C123 K124 | C93-F95 HydrophobicContact CB-CD2 4.25Å; C93-F95 HydrophobicContact CB-CE2 3.93Å; C93-F95 PolarHBondContact O-N 2.93Å; C93-R120 HydrophobicContact CB-CG 4.44Å; C93-C123 VanDerWaalsContact CA-SG 3.58Å; C93-C123 HydrophobicContact CB-CB 3.71Å; C93-C123 WeakPolarHBondContact CB-SG 3.49Å; C93-C123 WeakPolarHBondContact SG-CB 3.26Å; C93-C123 PolarHBondContact SG-O 3.5Å; C93-C123 CovalentContact SG-SG 2.04Å; C93-C123 PolarHBondContact SG-SG 3.39Å; C93-K124 HydrophobicContact CB-CG 3.94Å; C93-K124 PolarHBondContact SG-N 3.43Å | ||
| 94 | D | 86.4 | Confident | 84.1 | Confident | 106 Ų | 106 | 80.4 Ų | 80.4 | 57% | 0.567 | 43% | 0.427 | S | S | * | . | trans | -91.4 | 78.3 | 178.8 | -172.6 | 14.1 | 0 | 0 | 0 | 111.5 | I92 K96 | I92-D94 HydrophobicContact CG2-CB 4.14Å; I92-D94 PolarHBondContact O-N 2.94Å; D94-K96 IonicContact OD1-NZ 3.08Å; D94-K96 PolarHBondContact OD1-NZ 3.28Å; D94-K96 IonicContact OD2-NZ 2.65Å; D94-K96 PolarHBondContact OD2-NZ 3.24Å | ||
| 95 | F | 86.8 | Confident | 84.8 | Confident | 31 Ų | 31 | 74.6 Ų | 74.6 | 14% | 0.136 | 41% | 0.405 | C | S | . | . | trans | -83.5 | 124.4 | 176 | -67.1 | -106.3 | 0 | 0 | 0 | 110 | F78 D79 C93 C97 R119 R120 C123 | F78-F95 WeakPolarHBondContact O-CZ 3.32Å; D79-F95 HydrophobicContact CB-CE1 4.01Å; D79-F95 HydrophobicContact CB-CZ 4.01Å; C93-F95 HydrophobicContact CB-CD2 4.25Å; C93-F95 HydrophobicContact CB-CE2 3.93Å; C93-F95 PolarHBondContact O-N 2.93Å; F95-C97 VanDerWaalsContact C-N 3.29Å; F95-C97 PolarHBondContact O-N 2.79Å; F95-R119 HydrophobicContact CE1-CB 4.27Å; F95-R120 HydrophobicContact CB-CB 4.26Å; F95-R120 HydrophobicContact CB-CG 4.48Å; F95-R120 HydrophobicContact CD2-CB 3.69Å; F95-R120 HydrophobicContact CD2-CG 3.75Å; F95-R120 HydrophobicContact CE2-CB 4.29Å; F95-R120 HydrophobicContact CE2-CG 4.46Å; F95-R120 HydrophobicContact CG-CB 4.01Å; F95-R120 HydrophobicContact CG-CG 4.39Å; F95-R120 PolarHBondContact O-NH2 3.14Å; F95-C123 HydrophobicContact CE2-CB 3.73Å; F95-C123 HydrophobicContact CZ-CB 4.04Å | ||
| 96 | K | 88.5 | Confident | 85.4 | Confident | 174 Ų | 174 | 69.3 Ų | 69.3 | 76% | 0.757 | 38% | 0.379 | S | S | * | . | trans | -76.7 | 81.5 | 169.3 | -57.9 | -56.6 | 173.7 | -146.5 | 0 | 109.8 | D94 | D94-K96 IonicContact OD1-NZ 3.08Å; D94-K96 PolarHBondContact OD1-NZ 3.28Å; D94-K96 IonicContact OD2-NZ 2.65Å; D94-K96 PolarHBondContact OD2-NZ 3.24Å | ||
| 97 | C | 89.8 | Confident | 86.1 | Confident | 23 Ų | 23 | 69.4 Ų | 69.4 | 16% | 0.155 | 37% | 0.37 | C | S | . | . | trans | -82.9 | 138.6 | 177.5 | -56.9 | 0 | 0 | 0 | 0 | 110.9 | F95 C116 F117 R120 | F95-C97 VanDerWaalsContact C-N 3.29Å; F95-C97 PolarHBondContact O-N 2.79Å; C97-C116 WeakPolarHBondContact CA-SG 3.34Å; C97-C116 HydrophobicContact CB-CB 3.66Å; C97-C116 WeakPolarHBondContact CB-SG 3.38Å; C97-C116 WeakPolarHBondContact SG-CB 2.94Å; C97-C116 CovalentContact SG-SG 2.04Å; C97-C116 PolarHBondContact SG-SG 2.95Å; C97-F117 HydrophobicContact CB-CD2 4.31Å; C97-F117 HydrophobicContact CB-CE1 4.19Å; C97-F117 HydrophobicContact CB-CE2 3.93Å; C97-F117 HydrophobicContact CB-CZ 3.87Å; C97-R120 PolarHBondContact SG-NH2 2.8Å | ||
| 98 | N | 88.6 | Confident | 87.1 | Confident | 95 Ų | 95 | 65.8 Ų | 65.8 | 51% | 0.508 | 35% | 0.351 | S | S | . | . | trans | -74.8 | 158.5 | 165.9 | -162.1 | 8.2 | 0 | 0 | 0 | 110 | D100 N114 | N98-D100 PolarHBondContact ND2-OD1 3.44Å; N98-D100 PolarHBondContact ND2-OD2 3.05Å; N98-D100 PolarHBondContact O-N 3.33Å; N98-N114 PolarHBondContact O-ND2 2.98Å | ||
| 99 | N | 86.3 | Confident | 88.2 | Confident | 118 Ų | 118 | 63 Ų | 63 | 63% | 0.631 | 34% | 0.339 | S | S | * | . | trans | -88.6 | 12.2 | 175.9 | -69.3 | -30.5 | 0 | 0 | 0 | 112.8 | Y101 Q113 | N99-Y101 PolarHBondContact O-N 2.97Å; N99-Q113 PolarHBondContact O-NE2 3.45Å | ||
| 100 | D | 88.4 | Confident | 88.9 | Confident | 101 Ų | 101 | 65.3 Ų | 65.3 | 54% | 0.54 | 35% | 0.345 | S | S | . | . | trans | -56.8 | 123.5 | 171.7 | -63 | -21.2 | 0 | 0 | 0 | 108.8 | N98 A102 N114 | N98-D100 PolarHBondContact ND2-OD1 3.44Å; N98-D100 PolarHBondContact ND2-OD2 3.05Å; N98-D100 PolarHBondContact O-N 3.33Å; D100-A102 PolarHBondContact O-N 3.3Å; D100-N114 PolarHBondContact O-ND2 2.93Å | ||
| 101 | Y | 88.6 | Confident | 89.4 | Confident | 155 Ų | 155 | 66.2 Ų | 66.2 | 61% | 0.608 | 35% | 0.348 | S | S | * | . | trans | -85.9 | 102.6 | -178.5 | -167.3 | -95.8 | 0 | 0 | 0 | 108.7 | N99 P103 Q113 | N99-Y101 PolarHBondContact O-N 2.97Å; Y101-P103 HydrophobicContact CD1-CG 4.27Å; Y101-P103 HydrophobicContact CE1-CB 4.22Å; Y101-P103 HydrophobicContact CE1-CG 3.66Å; Y101-Q113 HydrophobicContact CD2-CG 3.85Å; Y101-Q113 HydrophobicContact CE2-CG 4.37Å | ||
| 102 | A | 91.8 | Very high | 89.6 | Confident | 56 Ų | 56 | 64.9 Ų | 64.9 | 46% | 0.463 | 34% | 0.338 | S | S | . | . | trans | -138.5 | 75.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 107.3 | D100 Q113 N114 | D100-A102 PolarHBondContact O-N 3.3Å; A102-Q113 CarbonylContact C-O 3.59Å; A102-Q113 PolarHBondContact N-O 3.47Å; A102-Q113 VanDerWaalsContact O-O 3.13Å; A102-N114 HydrophobicContact CB-CB 4.44Å; A102-N114 VanDerWaalsContact O-CA 3.29Å; A102-N114 WeakPolarHBondContact O-CA 3.49Å | ||
| 103 | P | 91.3 | Very high | 89.9 | Confident | 28 Ų | 28 | 65.2 Ų | 65.2 | 18% | 0.182 | 34% | 0.338 | C | S | . | . | trans | -62.7 | 143.1 | -165.9 | 24.4 | -33.1 | 0 | 0 | 0 | 111.5 | Y101 Y112 G135 | Y101-P103 HydrophobicContact CD1-CG 4.27Å; Y101-P103 HydrophobicContact CE1-CB 4.22Å; Y101-P103 HydrophobicContact CE1-CG 3.66Å; P103-Y112 CarbonylContact C-O 3.38Å; P103-Y112 VanDerWaalsContact CA-O 3.22Å; P103-Y112 WeakPolarHBondContact CA-O 3.23Å; P103-G135 WeakPolarHBondContact O-CA 3.33Å; P103-G135 PolarHBondContact O-N 3.41Å | ||
| 104 | V | 93.3 | Very high | 90 | Very high | 13 Ų | 13 | 65 Ų | 65 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 142.5 | 175.5 | -62.2 | 0 | 0 | 0 | 0 | 110.4 | Y112 L118 I131 G135 | V104-Y112 PolarHBondContact N-O 3.13Å; V104-Y112 PolarHBondContact O-N 3.32Å; V104-L118 HydrophobicContact CG2-CB 4.2Å; V104-L118 HydrophobicContact CG2-CD1 3.71Å; V104-I131 HydrophobicContact CB-CG1 4.3Å; V104-I131 HydrophobicContact CB-CG2 4.15Å; V104-I131 HydrophobicContact CG1-CD1 4.32Å; V104-I131 HydrophobicContact CG1-CG2 4.34Å; V104-I131 HydrophobicContact CG2-CG1 4.38Å; V104-G135 CarbonylContact C-O 2.99Å; V104-G135 VanDerWaalsContact CA-O 3.3Å; V104-G135 WeakPolarHBondContact CA-O 3.41Å |
| 105 | C | 93.3 | Very high | 90.2 | Very high | 2 Ų | 2 | 64.1 Ų | 64.1 | 1% | 0.014 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 121.5 | 172.5 | -178.5 | 0 | 0 | 0 | 0 | 109.5 | M132 S133 G135 C137 | C105-M132 PolarHBondContact O-N 3.33Å; C105-S133 PolarHBondContact N-O 2.95Å; C105-G135 PolarHBondContact N-O 3.3Å; C105-C137 WeakPolarHBondContact CA-SG 3.45Å; C105-C137 HydrophobicContact CB-CB 3.95Å; C105-C137 WeakPolarHBondContact CB-SG 3.27Å; C105-C137 WeakPolarHBondContact SG-CA 3.28Å; C105-C137 WeakPolarHBondContact SG-CB 3.32Å; C105-C137 CovalentContact SG-SG 2.04Å; C105-C137 PolarHBondContact SG-SG 3.32Å |
| 106 | G | 91.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 158.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | N108 N109 K110 L130 | G106-N108 PolarHBondContact O-N 3.3Å; G106-N109 PolarHBondContact O-N 2.96Å; G106-K110 PolarHBondContact N-O 3.23Å; G106-L130 CarbonylContact C-O 3.47Å; G106-L130 WeakPolarHBondContact CA-O 3.05Å |
| 107 | S | 89.3 | Confident | 90.7 | Very high | 54 Ų | 54 | 57.9 Ų | 57.9 | 38% | 0.378 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -11 | 174.8 | 61 | 0 | 0 | 0 | 0 | 115.1 | N109 V129 L130 M132 | S107-N109 VanDerWaalsContact C-N 3.35Å; S107-V129 WeakPolarHBondContact OG-CA 3.39Å; S107-L130 PolarHBondContact N-O 2.95Å; S107-L130 PolarHBondContact OG-N 3.1Å; S107-M132 VanDerWaalsContact CA-SD 3.55Å |
| 108 | N | 88.1 | Confident | 90.9 | Very high | 68 Ų | 68 | 57 Ų | 57 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.7 | 15.9 | 173.1 | 61.9 | -11 | 0 | 0 | 0 | 113.1 | G106 K110 Y112 | G106-N108 PolarHBondContact O-N 3.3Å; N108-K110 PolarHBondContact O-N 2.89Å; N108-K110 WeakPolarHBondContact OD1-CB 3.31Å; N108-K110 PolarHBondContact OD1-N 2.99Å; N108-Y112 PolarHBondContact ND2-OH 2.94Å |
| 109 | N | 88.3 | Confident | 91 | Very high | 77 Ų | 77 | 58.2 Ų | 58.2 | 41% | 0.412 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 56.5 | 30.8 | -177.5 | -148.6 | 55.2 | 0 | 0 | 0 | 113.5 | G106 S107 | G106-N109 PolarHBondContact O-N 2.96Å; S107-N109 VanDerWaalsContact C-N 3.35Å |
| 110 | K | 90.5 | Very high | 91.2 | Very high | 98 Ų | 98 | 55.3 Ų | 55.3 | 43% | 0.426 | 28% | 0.276 | S | S | . | . | trans | -112.4 | 135.8 | 179 | -171.6 | 179.6 | 173.3 | -172 | 0 | 110.4 | G106 N108 Y112 D121 C137 | G106-K110 PolarHBondContact N-O 3.23Å; N108-K110 PolarHBondContact O-N 2.89Å; N108-K110 WeakPolarHBondContact OD1-CB 3.31Å; N108-K110 PolarHBondContact OD1-N 2.99Å; K110-Y112 HydrophobicContact CB-CE2 3.96Å; K110-Y112 HydrophobicContact CD-CE1 4.23Å; K110-Y112 HydrophobicContact CD-CE2 4.48Å; K110-Y112 HydrophobicContact CG-CE2 4.29Å; K110-Y112 WeakPolarHBondContact O-CD2 3.42Å; K110-Y112 VanDerWaalsContact O-CE2 3.28Å; K110-Y112 WeakPolarHBondContact O-CE2 3.3Å; K110-D121 IonicContact NZ-OD2 3.78Å; K110-D121 PolarHBondContact NZ-OD2 2.89Å; K110-C137 VanDerWaalsContact C-SG 3.53Å | ||
| 111 | N | 91.5 | Very high | 91.4 | Very high | 72 Ų | 72 | 51.9 Ų | 51.9 | 39% | 0.385 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 134.7 | 175.4 | -54.2 | 53.5 | 0 | 0 | 0 | 110.2 | D136 C137 | N111-D136 WeakPolarHBondContact ND2-CA 3.04Å; N111-D136 WeakPolarHBondContact ND2-CB 3.02Å; N111-D136 VanDerWaalsContact ND2-CG 3.27Å; N111-D136 PolarHBondContact ND2-OD1 3.24Å; N111-C137 PolarHBondContact ND2-N 2.95Å; N111-C137 WeakPolarHBondContact OD1-CB 3.37Å |
| 112 | Y | 92.4 | Very high | 91.5 | Very high | 10 Ų | 10 | 44.6 Ų | 44.6 | 4% | 0.039 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 136.7 | 176.1 | -65.5 | -84.3 | 0 | 0 | 0 | 109.8 | P103 V104 N108 K110 N114 F117 L118 D121 V129 | P103-Y112 CarbonylContact C-O 3.38Å; P103-Y112 VanDerWaalsContact CA-O 3.22Å; P103-Y112 WeakPolarHBondContact CA-O 3.23Å; V104-Y112 PolarHBondContact N-O 3.13Å; V104-Y112 PolarHBondContact O-N 3.32Å; N108-Y112 PolarHBondContact ND2-OH 2.94Å; K110-Y112 HydrophobicContact CB-CE2 3.96Å; K110-Y112 HydrophobicContact CD-CE1 4.23Å; K110-Y112 HydrophobicContact CD-CE2 4.48Å; K110-Y112 HydrophobicContact CG-CE2 4.29Å; K110-Y112 WeakPolarHBondContact O-CD2 3.42Å; K110-Y112 VanDerWaalsContact O-CE2 3.28Å; K110-Y112 WeakPolarHBondContact O-CE2 3.3Å; Y112-N114 PolarHBondContact O-N 3.3Å; Y112-F117 HydrophobicContact CD1-CB 4.4Å; Y112-L118 VanDerWaalsContact CD1-CA 3.45Å; Y112-L118 HydrophobicContact CD1-CB 3.95Å; Y112-L118 HydrophobicContact CD2-CB 3.81Å; Y112-L118 HydrophobicContact CD2-CD1 3.73Å; Y112-L118 HydrophobicContact CD2-CG 3.83Å; Y112-L118 HydrophobicContact CE1-CB 4.39Å; Y112-L118 HydrophobicContact CE2-CB 4.27Å; Y112-L118 HydrophobicContact CE2-CD1 4.1Å; Y112-L118 HydrophobicContact CE2-CG 3.95Å; Y112-L118 HydrophobicContact CG-CB 3.62Å; Y112-L118 HydrophobicContact CG-CD1 4.35Å; Y112-L118 HydrophobicContact CG-CG 4.17Å; Y112-D121 HydrophobicContact CE1-CB 3.63Å; Y112-D121 WeakPolarHBondContact CE1-OD2 3.31Å; Y112-V129 HydrophobicContact CE2-CG1 4.14Å |
| 113 | Q | 92.9 | Very high | 91.5 | Very high | 70 Ų | 70 | 42 Ų | 42 | 33% | 0.327 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -57 | -34 | 179.9 | 175.6 | 174.5 | 15.2 | 0 | 0 | 113.1 | N99 Y101 A102 F117 | N99-Q113 PolarHBondContact O-NE2 3.45Å; Y101-Q113 HydrophobicContact CD2-CG 3.85Å; Y101-Q113 HydrophobicContact CE2-CG 4.37Å; A102-Q113 CarbonylContact C-O 3.59Å; A102-Q113 PolarHBondContact N-O 3.47Å; A102-Q113 VanDerWaalsContact O-O 3.13Å; Q113-F117 HydrophobicContact CB-CD2 3.79Å; Q113-F117 HydrophobicContact CB-CE2 4.13Å; Q113-F117 HydrophobicContact CG-CD2 4.22Å; Q113-F117 HydrophobicContact CG-CE2 4.12Å; Q113-F117 VanDerWaalsContact OE1-CE2 3.28Å |
| 114 | N | 91.8 | Very high | 91.4 | Very high | 15 Ų | 15 | 46.6 Ų | 46.6 | 8% | 0.08 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -161.5 | 171.1 | 170.5 | 57.7 | 52.2 | 0 | 0 | 0 | 110.8 | N98 D100 A102 Y112 C116 F117 L118 | N98-N114 PolarHBondContact O-ND2 2.98Å; D100-N114 PolarHBondContact O-ND2 2.93Å; A102-N114 HydrophobicContact CB-CB 4.44Å; A102-N114 VanDerWaalsContact O-CA 3.29Å; A102-N114 WeakPolarHBondContact O-CA 3.49Å; Y112-N114 PolarHBondContact O-N 3.3Å; N114-C116 PolarHBondContact O-N 2.03Å; N114-C116 VanDerWaalsContact OD1-CB 3.26Å; N114-C116 WeakPolarHBondContact OD1-CB 3.28Å; N114-C116 PolarHBondContact OD1-N 3.28Å; N114-C116 VanDerWaalsContact OD1-N 3.09Å; N114-F117 VanDerWaalsContact CG-CD2 3.46Å; N114-F117 WeakPolarHBondContact ND2-CE2 3.37Å; N114-F117 PolarHBondContact O-N 2.96Å; N114-F117 VanDerWaalsContact O-N 3.08Å; N114-F117 WeakPolarHBondContact OD1-CD2 3.42Å; N114-F117 PolarHBondContact OD1-N 3.35Å; N114-L118 PolarHBondContact O-N 2.67Å |
| 115 | E | 91.8 | Very high | 91.2 | Very high | 87 Ų | 87 | 51 Ų | 51 | 41% | 0.407 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -54.1 | -34.2 | 178.7 | 178.9 | 175.1 | -172.8 | 0 | 0 | 113.2 | F117 L118 R119 I131 | E115-F117 PolarHBondContact O-N 3.24Å; E115-L118 WeakPolarHBondContact O-CB 3.5Å; E115-L118 PolarHBondContact O-N 2.73Å; E115-R119 HydrophobicContact CG-CG 4.41Å; E115-R119 WeakPolarHBondContact O-CG 3.03Å; E115-R119 PolarHBondContact O-N 3.49Å; E115-R119 IonicContact OE1-CZ 2.96Å; E115-R119 IonicContact OE1-NE 3.55Å; E115-R119 PolarHBondContact OE1-NE 2.96Å; E115-R119 VanDerWaalsContact OE1-NE 3.08Å; E115-R119 IonicContact OE1-NH2 3.98Å; E115-R119 PolarHBondContact OE1-NH2 3.46Å; E115-I131 HydrophobicContact CB-CD1 4.27Å; E115-I131 HydrophobicContact CG-CD1 3.96Å |
| 116 | C | 92.8 | Very high | 90.8 | Very high | 35 Ų | 35 | 54.1 Ų | 54.1 | 24% | 0.236 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65 | -40.9 | 178.8 | -177.3 | 0 | 0 | 0 | 0 | 111.9 | C97 N114 L118 R119 R120 | C97-C116 WeakPolarHBondContact CA-SG 3.34Å; C97-C116 HydrophobicContact CB-CB 3.66Å; C97-C116 WeakPolarHBondContact CB-SG 3.38Å; C97-C116 WeakPolarHBondContact SG-CB 2.94Å; C97-C116 CovalentContact SG-SG 2.04Å; C97-C116 PolarHBondContact SG-SG 2.95Å; N114-C116 PolarHBondContact O-N 2.03Å; N114-C116 VanDerWaalsContact OD1-CB 3.26Å; N114-C116 WeakPolarHBondContact OD1-CB 3.28Å; N114-C116 PolarHBondContact OD1-N 3.28Å; N114-C116 VanDerWaalsContact OD1-N 3.09Å; C116-L118 VanDerWaalsContact C-N 3.32Å; C116-R119 PolarHBondContact O-N 3.42Å; C116-R120 WeakPolarHBondContact O-CB 3.39Å; C116-R120 PolarHBondContact O-N 2.77Å |
| 117 | F | 92.9 | Very high | 90.6 | Very high | 39 Ų | 39 | 56.6 Ų | 56.6 | 17% | 0.171 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67.3 | -33.7 | 174.9 | -70.4 | -76.4 | 0 | 0 | 0 | 112.4 | C97 Y112 Q113 N114 E115 R120 D121 | C97-F117 HydrophobicContact CB-CD2 4.31Å; C97-F117 HydrophobicContact CB-CE1 4.19Å; C97-F117 HydrophobicContact CB-CE2 3.93Å; C97-F117 HydrophobicContact CB-CZ 3.87Å; Y112-F117 HydrophobicContact CD1-CB 4.4Å; Q113-F117 HydrophobicContact CB-CD2 3.79Å; Q113-F117 HydrophobicContact CB-CE2 4.13Å; Q113-F117 HydrophobicContact CG-CD2 4.22Å; Q113-F117 HydrophobicContact CG-CE2 4.12Å; Q113-F117 VanDerWaalsContact OE1-CE2 3.28Å; N114-F117 VanDerWaalsContact CG-CD2 3.46Å; N114-F117 WeakPolarHBondContact ND2-CE2 3.37Å; N114-F117 PolarHBondContact O-N 2.96Å; N114-F117 VanDerWaalsContact O-N 3.08Å; N114-F117 WeakPolarHBondContact OD1-CD2 3.42Å; N114-F117 PolarHBondContact OD1-N 3.35Å; E115-F117 PolarHBondContact O-N 3.24Å; F117-R120 PolarHBondContact O-N 2.88Å; F117-D121 PolarHBondContact O-N 3.31Å; F117-D121 VanDerWaalsContact O-N 3.11Å |
| 118 | L | 93.2 | Very high | 90.4 | Very high | 5 Ų | 5 | 60.2 Ų | 60.2 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63 | -50.4 | 173.6 | -178.6 | 157.3 | 0 | 0 | 0 | 111.2 | V104 Y112 N114 E115 C116 R120 D121 A122 V129 I131 | V104-L118 HydrophobicContact CG2-CB 4.2Å; V104-L118 HydrophobicContact CG2-CD1 3.71Å; Y112-L118 VanDerWaalsContact CD1-CA 3.45Å; Y112-L118 HydrophobicContact CD1-CB 3.95Å; Y112-L118 HydrophobicContact CD2-CB 3.81Å; Y112-L118 HydrophobicContact CD2-CD1 3.73Å; Y112-L118 HydrophobicContact CD2-CG 3.83Å; Y112-L118 HydrophobicContact CE1-CB 4.39Å; Y112-L118 HydrophobicContact CE2-CB 4.27Å; Y112-L118 HydrophobicContact CE2-CD1 4.1Å; Y112-L118 HydrophobicContact CE2-CG 3.95Å; Y112-L118 HydrophobicContact CG-CB 3.62Å; Y112-L118 HydrophobicContact CG-CD1 4.35Å; Y112-L118 HydrophobicContact CG-CG 4.17Å; N114-L118 PolarHBondContact O-N 2.67Å; E115-L118 WeakPolarHBondContact O-CB 3.5Å; E115-L118 PolarHBondContact O-N 2.73Å; C116-L118 VanDerWaalsContact C-N 3.32Å; L118-R120 VanDerWaalsContact C-N 3.31Å; L118-R120 PolarHBondContact O-N 2.91Å; L118-D121 PolarHBondContact O-N 2.89Å; L118-A122 PolarHBondContact O-N 3.48Å; L118-V129 HydrophobicContact CD1-CG1 4.2Å; L118-V129 HydrophobicContact CD2-CB 4.09Å; L118-V129 HydrophobicContact CD2-CG1 4.1Å; L118-V129 VanDerWaalsContact CD2-O 3.26Å; L118-V129 WeakPolarHBondContact CD2-O 3.39Å; L118-V129 HydrophobicContact CG-CB 4.37Å; L118-V129 HydrophobicContact CG-CG1 3.91Å; L118-I131 HydrophobicContact CD1-CG1 3.7Å |
| 119 | R | 90.2 | Very high | 90.5 | Very high | 120 Ų | 120 | 57.6 Ų | 57.6 | 45% | 0.453 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.5 | -37.8 | 177.4 | -68.2 | -179.8 | -175.2 | -159.4 | -3.9 | 112.5 | F95 E115 C116 D121 A122 C123 | F95-R119 HydrophobicContact CE1-CB 4.27Å; E115-R119 HydrophobicContact CG-CG 4.41Å; E115-R119 WeakPolarHBondContact O-CG 3.03Å; E115-R119 PolarHBondContact O-N 3.49Å; E115-R119 IonicContact OE1-CZ 2.96Å; E115-R119 IonicContact OE1-NE 3.55Å; E115-R119 PolarHBondContact OE1-NE 2.96Å; E115-R119 VanDerWaalsContact OE1-NE 3.08Å; E115-R119 IonicContact OE1-NH2 3.98Å; E115-R119 PolarHBondContact OE1-NH2 3.46Å; C116-R119 PolarHBondContact O-N 3.42Å; R119-D121 PolarHBondContact O-N 3.11Å; R119-A122 WeakPolarHBondContact O-CB 3.26Å; R119-A122 PolarHBondContact O-N 3.43Å; R119-C123 PolarHBondContact O-N 2.93Å |
| 120 | R | 91.5 | Very high | 90.6 | Very high | 56 Ų | 56 | 58.6 Ų | 58.6 | 21% | 0.211 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 174.9 | -176.8 | -169 | -62.8 | 175.9 | -2.7 | 111.9 | C93 F95 C97 C116 F117 L118 C123 K124 | C93-R120 HydrophobicContact CB-CG 4.44Å; F95-R120 HydrophobicContact CB-CB 4.26Å; F95-R120 HydrophobicContact CB-CG 4.48Å; F95-R120 HydrophobicContact CD2-CB 3.69Å; F95-R120 HydrophobicContact CD2-CG 3.75Å; F95-R120 HydrophobicContact CE2-CB 4.29Å; F95-R120 HydrophobicContact CE2-CG 4.46Å; F95-R120 HydrophobicContact CG-CB 4.01Å; F95-R120 HydrophobicContact CG-CG 4.39Å; F95-R120 PolarHBondContact O-NH2 3.14Å; C97-R120 PolarHBondContact SG-NH2 2.8Å; C116-R120 WeakPolarHBondContact O-CB 3.39Å; C116-R120 PolarHBondContact O-N 2.77Å; F117-R120 PolarHBondContact O-N 2.88Å; L118-R120 VanDerWaalsContact C-N 3.31Å; L118-R120 PolarHBondContact O-N 2.91Å; R120-C123 WeakPolarHBondContact O-CB 3.47Å; R120-C123 PolarHBondContact O-N 3.45Å; R120-K124 WeakPolarHBondContact O-CG 3.25Å; R120-K124 PolarHBondContact O-N 3.44Å |
| 121 | D | 91.7 | Very high | 90.6 | Very high | 29 Ų | 29 | 57.3 Ų | 57.3 | 16% | 0.155 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -70 | -37.8 | 177.6 | -94.8 | 16.9 | 0 | 0 | 0 | 111.5 | K110 Y112 F117 L118 R119 C123 K124 L125 | K110-D121 IonicContact NZ-OD2 3.78Å; K110-D121 PolarHBondContact NZ-OD2 2.89Å; Y112-D121 HydrophobicContact CE1-CB 3.63Å; Y112-D121 WeakPolarHBondContact CE1-OD2 3.31Å; F117-D121 PolarHBondContact O-N 3.31Å; F117-D121 VanDerWaalsContact O-N 3.11Å; L118-D121 PolarHBondContact O-N 2.89Å; R119-D121 PolarHBondContact O-N 3.11Å; D121-C123 VanDerWaalsContact C-N 3.29Å; D121-C123 PolarHBondContact O-N 3.31Å; D121-K124 PolarHBondContact O-N 2.96Å; D121-K124 VanDerWaalsContact O-N 3.11Å; D121-K124 IonicContact OD1-NZ 2.73Å; D121-L125 WeakPolarHBondContact O-CB 3.43Å; D121-L125 WeakPolarHBondContact O-CG 3.03Å; D121-L125 PolarHBondContact O-N 3.27Å |
| 122 | A | 92.1 | Very high | 90.5 | Very high | 3 Ų | 3 | 59.2 Ų | 59.2 | 3% | 0.025 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -56.8 | -42.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F78 L118 R119 L125 Q126 S127 V129 | F78-A122 HydrophobicContact CB-CB 4.35Å; F78-A122 HydrophobicContact CD1-CB 4.43Å; F78-A122 HydrophobicContact CD2-CB 4.35Å; F78-A122 HydrophobicContact CG-CB 4.1Å; L118-A122 PolarHBondContact O-N 3.48Å; R119-A122 WeakPolarHBondContact O-CB 3.26Å; R119-A122 PolarHBondContact O-N 3.43Å; A122-L125 PolarHBondContact O-N 3.37Å; A122-Q126 WeakPolarHBondContact O-CA 3.15Å; A122-Q126 PolarHBondContact O-N 2.88Å; A122-S127 WeakPolarHBondContact CA-O 3.35Å; A122-S127 WeakPolarHBondContact CB-O 3.49Å; A122-S127 PolarHBondContact O-N 3.3Å; A122-V129 HydrophobicContact CB-CB 4.12Å; A122-V129 HydrophobicContact CB-CG2 4.01Å |
| 123 | C | 91.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 172.6 | 175.5 | 0 | 0 | 0 | 0 | 112.2 | F78 G80 C93 F95 R119 R120 D121 L125 Q126 | F78-C123 HydrophobicContact CB-CB 4.27Å; F78-C123 WeakPolarHBondContact O-CB 3.44Å; G80-C123 WeakPolarHBondContact CA-SG 3.43Å; C93-C123 VanDerWaalsContact CA-SG 3.58Å; C93-C123 HydrophobicContact CB-CB 3.71Å; C93-C123 WeakPolarHBondContact CB-SG 3.49Å; C93-C123 WeakPolarHBondContact SG-CB 3.26Å; C93-C123 PolarHBondContact SG-O 3.5Å; C93-C123 CovalentContact SG-SG 2.04Å; C93-C123 PolarHBondContact SG-SG 3.39Å; F95-C123 HydrophobicContact CE2-CB 3.73Å; F95-C123 HydrophobicContact CZ-CB 4.04Å; R119-C123 PolarHBondContact O-N 2.93Å; R120-C123 WeakPolarHBondContact O-CB 3.47Å; R120-C123 PolarHBondContact O-N 3.45Å; D121-C123 VanDerWaalsContact C-N 3.29Å; D121-C123 PolarHBondContact O-N 3.31Å; C123-L125 VanDerWaalsContact C-N 3.31Å; C123-L125 PolarHBondContact O-N 2.92Å; C123-Q126 PolarHBondContact O-N 2.95Å; C123-Q126 PolarHBondContact O-NE2 2.97Å |
| 124 | K | 88.9 | Confident | 90 | Very high | 126 Ų | 126 | 66.6 Ų | 66.6 | 55% | 0.548 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.3 | -37.3 | -179.3 | -71.9 | 173.2 | -174.4 | 167 | 0 | 112.6 | C93 R120 D121 Q126 | C93-K124 HydrophobicContact CB-CG 3.94Å; C93-K124 PolarHBondContact SG-N 3.43Å; R120-K124 WeakPolarHBondContact O-CG 3.25Å; R120-K124 PolarHBondContact O-N 3.44Å; D121-K124 PolarHBondContact O-N 2.96Å; D121-K124 VanDerWaalsContact O-N 3.11Å; D121-K124 IonicContact OD1-NZ 2.73Å; K124-Q126 VanDerWaalsContact C-N 3.28Å |
| 125 | L | 88.7 | Confident | 89.7 | Confident | 105 Ų | 105 | 67 Ų | 67 | 55% | 0.55 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -80.6 | -13.6 | 178.8 | -64.6 | 171.5 | 0 | 0 | 0 | 112.3 | D121 A122 C123 S127 | D121-L125 WeakPolarHBondContact O-CB 3.43Å; D121-L125 WeakPolarHBondContact O-CG 3.03Å; D121-L125 PolarHBondContact O-N 3.27Å; A122-L125 PolarHBondContact O-N 3.37Å; C123-L125 VanDerWaalsContact C-N 3.31Å; C123-L125 PolarHBondContact O-N 2.92Å; L125-S127 VanDerWaalsContact CB-OG 3.22Å; L125-S127 WeakPolarHBondContact CB-OG 3.4Å; L125-S127 PolarHBondContact O-N 3.26Å |
| 126 | Q | 85.4 | Confident | 89.5 | Confident | 67 Ų | 67 | 67 Ų | 67 | 31% | 0.313 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.5 | 33.7 | -170 | -70 | -67 | -62.2 | 0 | 0 | 111.9 | K77 A122 C123 K124 | K77-Q126 PolarHBondContact O-NE2 3.36Å; K77-Q126 VanDerWaalsContact O-NE2 3.09Å; A122-Q126 WeakPolarHBondContact O-CA 3.15Å; A122-Q126 PolarHBondContact O-N 2.88Å; C123-Q126 PolarHBondContact O-N 2.95Å; C123-Q126 PolarHBondContact O-NE2 2.97Å; K124-Q126 VanDerWaalsContact C-N 3.28Å |
| 127 | S | 86.8 | Confident | 89.3 | Confident | 53 Ų | 53 | 65.9 Ų | 65.9 | 37% | 0.371 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -133.8 | 141.7 | -177.3 | 67.7 | 0 | 0 | 0 | 0 | 110.2 | A122 L125 V129 | A122-S127 WeakPolarHBondContact CA-O 3.35Å; A122-S127 WeakPolarHBondContact CB-O 3.49Å; A122-S127 PolarHBondContact O-N 3.3Å; L125-S127 VanDerWaalsContact CB-OG 3.22Å; L125-S127 WeakPolarHBondContact CB-OG 3.4Å; L125-S127 PolarHBondContact O-N 3.26Å; S127-V129 PolarHBondContact O-N 2.84Å |
| 128 | E | 85.6 | Confident | 88.8 | Confident | 130 Ų | 130 | 68.6 Ų | 68.6 | 61% | 0.607 | 35% | 0.353 | S | S | * | . | trans | -68.1 | 124.4 | 179.5 | -168.2 | 165.2 | -148.4 | 0 | 0 | 110.8 | F78 L130 | F78-E128 HydrophobicContact CE1-CB 3.77Å; F78-E128 HydrophobicContact CE1-CG 3.87Å; F78-E128 HydrophobicContact CZ-CB 3.57Å; F78-E128 HydrophobicContact CZ-CG 4.21Å; E128-L130 HydrophobicContact CG-CD2 3.83Å; E128-L130 HydrophobicContact CG-CG 4.12Å | ||
| 129 | V | 90.4 | Very high | 87.8 | Confident | 13 Ų | 13 | 72.9 Ų | 72.9 | 8% | 0.079 | 39% | 0.389 | C | S | . | . | trans | -115.8 | 117.1 | 170.2 | -174.7 | 0 | 0 | 0 | 0 | 106 | S107 Y112 L118 A122 S127 | S107-V129 WeakPolarHBondContact OG-CA 3.39Å; Y112-V129 HydrophobicContact CE2-CG1 4.14Å; L118-V129 HydrophobicContact CD1-CG1 4.2Å; L118-V129 HydrophobicContact CD2-CB 4.09Å; L118-V129 HydrophobicContact CD2-CG1 4.1Å; L118-V129 VanDerWaalsContact CD2-O 3.26Å; L118-V129 WeakPolarHBondContact CD2-O 3.39Å; L118-V129 HydrophobicContact CG-CB 4.37Å; L118-V129 HydrophobicContact CG-CG1 3.91Å; A122-V129 HydrophobicContact CB-CB 4.12Å; A122-V129 HydrophobicContact CB-CG2 4.01Å; S127-V129 PolarHBondContact O-N 2.84Å | ||
| 130 | L | 89.8 | Confident | 86.6 | Confident | 98 Ų | 98 | 73.2 Ų | 73.2 | 51% | 0.513 | 40% | 0.399 | S | S | . | . | trans | -96.7 | 154 | 178.9 | -61.6 | 175.9 | 0 | 0 | 0 | 109.5 | G106 S107 E128 M132 | G106-L130 CarbonylContact C-O 3.47Å; G106-L130 WeakPolarHBondContact CA-O 3.05Å; S107-L130 PolarHBondContact N-O 2.95Å; S107-L130 PolarHBondContact OG-N 3.1Å; E128-L130 HydrophobicContact CG-CD2 3.83Å; E128-L130 HydrophobicContact CG-CG 4.12Å; L130-M132 PolarHBondContact O-N 2.7Å | ||
| 131 | I | 91.4 | Very high | 85 | Confident | 71 Ų | 71 | 76.2 Ų | 76.2 | 36% | 0.364 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 116.9 | 171 | -63.8 | 165.6 | 0 | 0 | 0 | 107.6 | V104 E115 L118 | V104-I131 HydrophobicContact CB-CG1 4.3Å; V104-I131 HydrophobicContact CB-CG2 4.15Å; V104-I131 HydrophobicContact CG1-CD1 4.32Å; V104-I131 HydrophobicContact CG1-CG2 4.34Å; V104-I131 HydrophobicContact CG2-CG1 4.38Å; E115-I131 HydrophobicContact CB-CD1 4.27Å; E115-I131 HydrophobicContact CG-CD1 3.96Å; L118-I131 HydrophobicContact CD1-CG1 3.7Å |
| 132 | M | 88 | Confident | 83.5 | Confident | 111 Ų | 111 | 77.8 Ų | 77.8 | 55% | 0.547 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | -39 | 174.2 | -75.9 | -175.4 | 72 | 0 | 0 | 112.1 | C105 S107 L130 | C105-M132 PolarHBondContact O-N 3.33Å; S107-M132 VanDerWaalsContact CA-SD 3.55Å; L130-M132 PolarHBondContact O-N 2.7Å |
| 133 | S | 87.5 | Confident | 81.5 | Confident | 59 Ų | 59 | 83.4 Ų | 83.4 | 41% | 0.413 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 145.4 | 179.5 | -173.2 | 0 | 0 | 0 | 0 | 110.3 | C105 | C105-S133 PolarHBondContact N-O 2.95Å |
| 134 | E | 88 | Confident | 79.8 | Confident | 177 Ų | 177 | 87 Ų | 87 | 83% | 0.827 | 54% | 0.536 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 136.7 | 159.2 | -64.8 | 177.8 | -174.3 | 0 | 0 | 107.9 | ||
| 135 | G | 86.6 | Confident | 77.9 | Confident | 23 Ų | 23 | 86.9 Ų | 86.9 | 24% | 0.237 | 55% | 0.551 | C | S | . | * | S | Bend | trans | 96.5 | -175.6 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | P103 V104 C105 | P103-G135 WeakPolarHBondContact O-CA 3.33Å; P103-G135 PolarHBondContact O-N 3.41Å; V104-G135 CarbonylContact C-O 2.99Å; V104-G135 VanDerWaalsContact CA-O 3.3Å; V104-G135 WeakPolarHBondContact CA-O 3.41Å; C105-G135 PolarHBondContact N-O 3.3Å |
| 136 | D | 86.4 | Confident | 76.3 | Confident | 87 Ų | 87 | 85 Ų | 85 | 47% | 0.465 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -70.9 | 147.1 | 177.2 | -77.9 | -48.4 | 0 | 0 | 0 | 111.5 | N111 | N111-D136 WeakPolarHBondContact ND2-CA 3.04Å; N111-D136 WeakPolarHBondContact ND2-CB 3.02Å; N111-D136 VanDerWaalsContact ND2-CG 3.27Å; N111-D136 PolarHBondContact ND2-OD1 3.24Å |
| 137 | C | 87.9 | Confident | 74.8 | Confident | 11 Ų | 11 | 89.4 Ų | 89.4 | 7% | 0.074 | 58% | 0.582 | C | S | . | * | P | Polyproline II helix | trans | -58.3 | 144 | 173.9 | -66.6 | 0 | 0 | 0 | 0 | 110.3 | C105 K110 N111 A139 | C105-C137 WeakPolarHBondContact CA-SG 3.45Å; C105-C137 HydrophobicContact CB-CB 3.95Å; C105-C137 WeakPolarHBondContact CB-SG 3.27Å; C105-C137 WeakPolarHBondContact SG-CA 3.28Å; C105-C137 WeakPolarHBondContact SG-CB 3.32Å; C105-C137 CovalentContact SG-SG 2.04Å; C105-C137 PolarHBondContact SG-SG 3.32Å; K110-C137 VanDerWaalsContact C-SG 3.53Å; N111-C137 PolarHBondContact ND2-N 2.95Å; N111-C137 WeakPolarHBondContact OD1-CB 3.37Å; C137-A139 PolarHBondContact O-N 3.33Å |
| 138 | P | 82.4 | Confident | 73.1 | Confident | 97 Ų | 97 | 95 Ų | 95 | 63% | 0.63 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 117.2 | 176.5 | 23.2 | -31.7 | 0 | 0 | 0 | 108 | D140 | P138-D140 PolarHBondContact O-N 2.04Š|
| 139 | A | 74 | Confident | 72 | Confident | 95 Ų | 95 | 92.4 Ų | 92.4 | 79% | 0.785 | 62% | 0.616 | S | S | * | * | trans | -61.1 | 115.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 107 | C137 A141 | C137-A139 PolarHBondContact O-N 3.33Å; A139-A141 PolarHBondContact O-N 3.43Å | ||
| 140 | D | 64.4 | Low | 70 | Confident | 126 Ų | 126 | 95.5 Ų | 95.5 | 67% | 0.674 | 65% | 0.65 | S | S | * | * | trans | -46 | 130.2 | 166.4 | -69.7 | -43.4 | 0 | 0 | 0 | 107.2 | P138 G142 | P138-D140 PolarHBondContact O-N 2.04Å; D140-G142 PolarHBondContact O-N 3.09Å | ||
| 141 | A | 58.4 | Low | 68.7 | Low | 119 Ų | 119 | 100.8 Ų | 100.8 | 98% | 0.983 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -67.9 | 56.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | A139 | A139-A141 PolarHBondContact O-N 3.43Š|
| 142 | G | 59.8 | Low | 66.5 | Low | 62 Ų | 62 | 101 Ų | 101 | 64% | 0.639 | 69% | 0.692 | S | S | * | * | trans | -171.9 | 46.4 | -161.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | D140 | D140-G142 PolarHBondContact O-N 3.09Š| ||
| 143 | S | 50.5 | Low | 65.1 | Low | 121 Ų | 121 | 101.9 Ų | 101.9 | 85% | 0.846 | 71% | 0.709 | S | S | * | * | trans | -169.1 | 103.1 | 143.2 | -93.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 144 | G | 54.1 | Low | 63.1 | Low | 76 Ų | 76 | 103.1 Ų | 103.1 | 78% | 0.784 | 72% | 0.723 | S | S | * | * | trans | -70.2 | 134.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 145 | S | 50.5 | Low | 61.1 | Low | 123 Ų | 123 | 103.7 Ų | 103.7 | 86% | 0.86 | 73% | 0.726 | S | S | * | * | trans | -159.5 | 113.6 | 141.1 | -75.5 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 146 | G | 53.8 | Low | 59.4 | Low | 66 Ų | 66 | 109.3 Ų | 109.3 | 68% | 0.68 | 76% | 0.756 | S | S | * | * | trans | -66.4 | -174.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 147 | D | 54.3 | Low | 57.4 | Low | 159 Ų | 159 | 108.3 Ų | 108.3 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | cis | -150.9 | 147 | 2 | -64.5 | -55.3 | 0 | 0 | 0 | 104.5 | ||||
| 148 | D | 52.3 | Low | 55.5 | Low | 172 Ų | 172 | 116.1 Ų | 116.1 | 92% | 0.92 | 80% | 0.801 | S | S | * | * | 171.3 | 153.9 | 119.8 | -129.9 | -75.9 | 0 | 0 | 0 | 111.5 | |||||
| 149 | G | 61.6 | Low | 53.8 | Low | 75 Ų | 75 | 120.3 Ų | 120.3 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -79.2 | 158.8 | -151.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 150 | G | 49.1 | Very low | 52.7 | Low | 77 Ų | 77 | 124.3 Ų | 124.3 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | -171.1 | 83.4 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 151 | E | 60.9 | Low | 52 | Low | 210 Ų | 210 | 123.2 Ų | 123.2 | 98% | 0.981 | 81% | 0.81 | S | S | * | * | trans | -56.9 | 131.7 | 166.7 | -88.5 | 172 | 132.4 | 0 | 0 | 111.3 | ||||
| 152 | G | 46.7 | Very low | 51.7 | Low | 74 Ų | 74 | 120.8 Ų | 120.8 | 76% | 0.763 | 79% | 0.786 | S | S | * | * | trans | -175.8 | 82.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 153 | S | 57.9 | Low | 51.6 | Low | 130 Ų | 130 | 122.1 Ų | 122.1 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | -60 | 129.6 | 165.4 | -60.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 154 | A | 45.8 | Very low | 52 | Low | 86 Ų | 86 | 118.2 Ų | 118.2 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | trans | -171.4 | 121.8 | 136.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 155 | E | 44.9 | Very low | 52.3 | Low | 188 Ų | 188 | 120.3 Ų | 120.3 | 88% | 0.879 | 75% | 0.747 | S | S | * | * | trans | 66.5 | 91.3 | 144.6 | -60 | -175.2 | 155.8 | 0 | 0 | 117.4 | G157 | E155-G157 PolarHBondContact O-N 2.03Š| ||
| 156 | T | 51.6 | Low | 53 | Low | 141 Ų | 141 | 120.3 Ų | 120.3 | 87% | 0.865 | 74% | 0.736 | S | S | * | * | trans | -51.2 | 82.1 | 147 | 41.2 | 0 | 0 | 0 | 0 | 110.7 | Q158 | T156-Q158 VanDerWaalsContact C-N 3.29Å; T156-Q158 PolarHBondContact O-N 2.72Å | ||
| 157 | G | 44.4 | Very low | 53.9 | Low | 66 Ų | 66 | 118.7 Ų | 118.7 | 68% | 0.68 | 71% | 0.714 | S | S | * | * | trans | -76.3 | 88 | 152.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | E155 K159 | E155-G157 PolarHBondContact O-N 2.03Å; G157-K159 PolarHBondContact O-N 3.05Å | ||
| 158 | Q | 48.4 | Very low | 54.8 | Low | 175 Ų | 175 | 115.5 Ų | 115.5 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | trans | -62.4 | 85.5 | 159.4 | -72.3 | 179.8 | -19 | 0 | 0 | 106.6 | T156 E160 | T156-Q158 VanDerWaalsContact C-N 3.29Å; T156-Q158 PolarHBondContact O-N 2.72Å; Q158-E160 VanDerWaalsContact C-N 3.29Å; Q158-E160 PolarHBondContact O-N 2.62Å; Q158-E160 VanDerWaalsContact O-N 3.13Å | ||
| 159 | K | 45.8 | Very low | 56.1 | Low | 185 Ų | 185 | 110.2 Ų | 110.2 | 80% | 0.804 | 66% | 0.663 | S | S | * | * | trans | -70.9 | 102.3 | 157.4 | -160.5 | 177.3 | -174.8 | -173.9 | 0 | 103.1 | G157 T161 | G157-K159 PolarHBondContact O-N 3.05Å; K159-T161 PolarHBondContact O-N 3Å | ||
| 160 | E | 50.6 | Low | 56.4 | Low | 179 Ų | 179 | 109.7 Ų | 109.7 | 84% | 0.836 | 66% | 0.657 | S | S | * | * | trans | -54.2 | 89.8 | 165.9 | -65.9 | 176.4 | 168.1 | 0 | 0 | 106.4 | Q158 S162 | Q158-E160 VanDerWaalsContact C-N 3.29Å; Q158-E160 PolarHBondContact O-N 2.62Å; Q158-E160 VanDerWaalsContact O-N 3.13Å; E160-S162 PolarHBondContact O-N 2.72Å; E160-S162 VanDerWaalsContact O-N 3.14Å | ||
| 161 | T | 50.2 | Low | 57.8 | Low | 103 Ų | 103 | 106.9 Ų | 106.9 | 63% | 0.632 | 63% | 0.627 | S | S | * | * | trans | -64.1 | 111.3 | 162.4 | 50.9 | 0 | 0 | 0 | 0 | 103.4 | K159 T163 | K159-T161 PolarHBondContact O-N 3Å; T161-T163 PolarHBondContact O-N 3.38Å; T161-T163 VanDerWaalsContact O-N 3.09Å | ||
| 162 | S | 52.6 | Low | 58.5 | Low | 68 Ų | 68 | 103.5 Ų | 103.5 | 48% | 0.476 | 61% | 0.611 | S | S | . | * | trans | -42.7 | 124.8 | 172.1 | 28.1 | 0 | 0 | 0 | 0 | 107.8 | E160 C164 D165 | E160-S162 PolarHBondContact O-N 2.72Å; E160-S162 VanDerWaalsContact O-N 3.14Å; S162-C164 PolarHBondContact O-N 2.97Å; S162-D165 PolarHBondContact O-N 3.35Å; S162-D165 VanDerWaalsContact O-N 3.15Å; S162-D165 PolarHBondContact OG-OD2 3.35Å | ||
| 163 | T | 57.8 | Low | 59.9 | Low | 90 Ų | 90 | 101.5 Ų | 101.5 | 55% | 0.552 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | 3 | -175.5 | -47.6 | 0 | 0 | 0 | 0 | 113.2 | T161 W181 | T161-T163 PolarHBondContact O-N 3.38Å; T161-T163 VanDerWaalsContact O-N 3.09Å; T163-W181 VanDerWaalsContact C-CD2 3.48Å; T163-W181 VanDerWaalsContact CB-CE3 3.42Å; T163-W181 VanDerWaalsContact CB-CH2 3.49Å; T163-W181 HydrophobicContact CG2-CD2 3.69Å; T163-W181 HydrophobicContact CG2-CE3 3.19Å; T163-W181 HydrophobicContact CG2-CG 4.38Å; T163-W181 HydrophobicContact CG2-CH2 4.26Å; T163-W181 HydrophobicContact CG2-CZ3 3.55Å; T163-W181 VanDerWaalsContact O-CD1 3.22Å; T163-W181 VanDerWaalsContact O-CG 3.24Å; T163-W181 PolarHBondContact O-NE1 2.84Å |
| 164 | C | 57.7 | Low | 60.7 | Low | 40 Ų | 40 | 98.5 Ų | 98.5 | 27% | 0.27 | 56% | 0.559 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.8 | -18.5 | 177.3 | -154.1 | 0 | 0 | 0 | 0 | 117.7 | S162 I166 C173 W181 | S162-C164 PolarHBondContact O-N 2.97Å; C164-I166 PolarHBondContact O-N 3.49Å; C164-I166 VanDerWaalsContact O-N 3.11Å; C164-C173 HydrophobicContact CB-CB 4.18Å; C164-C173 WeakPolarHBondContact CB-SG 3.41Å; C164-C173 WeakPolarHBondContact SG-CB 3.26Å; C164-C173 CovalentContact SG-SG 2Å; C164-C173 PolarHBondContact SG-SG 2.78Å; C164-W181 VanDerWaalsContact CA-CZ2 3.43Å; C164-W181 HydrophobicContact CB-CZ2 3.39Å |
| 165 | D | 60.7 | Low | 61.6 | Low | 119 Ų | 119 | 98.7 Ų | 98.7 | 64% | 0.636 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | 9.8 | -168.5 | -64.6 | -43.7 | 0 | 0 | 0 | 113.7 | S162 | S162-D165 PolarHBondContact O-N 3.35Å; S162-D165 VanDerWaalsContact O-N 3.15Å; S162-D165 PolarHBondContact OG-OD2 3.35Å |
| 166 | I | 66.9 | Low | 62.7 | Low | 124 Ų | 124 | 96.5 Ų | 96.5 | 64% | 0.636 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114 | 1.4 | -171.5 | -43.8 | 174.8 | 0 | 0 | 0 | 112.9 | C164 Q168 Q218 | C164-I166 PolarHBondContact O-N 3.49Å; C164-I166 VanDerWaalsContact O-N 3.11Å; I166-Q168 PolarHBondContact O-N 3.13Å; I166-Q218 PolarHBondContact O-OE1 2.97Å |
| 167 | C | 72 | Confident | 63.4 | Low | 31 Ų | 31 | 91.3 Ų | 91.3 | 21% | 0.209 | 52% | 0.517 | C | S | . | . | trans | -81.2 | 117.7 | 178 | -58.6 | 0 | 0 | 0 | 0 | 112 | A171 C182 | C167-A171 HydrophobicContact CB-CB 3.97Å; C167-C182 WeakPolarHBondContact CA-SG 3.45Å; C167-C182 HydrophobicContact CB-CB 3.95Å; C167-C182 WeakPolarHBondContact CB-SG 3.37Å; C167-C182 WeakPolarHBondContact SG-CA 3.2Å; C167-C182 WeakPolarHBondContact SG-CB 3.24Å; C167-C182 CovalentContact SG-SG 2.05Å; C167-C182 PolarHBondContact SG-SG 2.02Å | ||
| 168 | Q | 73.8 | Confident | 64.3 | Low | 92 Ų | 92 | 97.2 Ų | 97.2 | 43% | 0.43 | 53% | 0.527 | S | S | . | . | trans | -116.1 | 174 | 178.3 | -61.2 | -174.7 | 32.8 | 0 | 0 | 111.4 | I166 G170 A171 Q218 | I166-Q168 PolarHBondContact O-N 3.13Å; Q168-G170 VanDerWaalsContact C-N 3.3Å; Q168-G170 PolarHBondContact O-N 3.47Å; Q168-A171 PolarHBondContact O-N 3.39Å; Q168-Q218 PolarHBondContact O-NE2 2.75Å; Q168-Q218 PolarHBondContact O-OE1 2.97Å | ||
| 169 | F | 78.4 | Confident | 64.8 | Low | 62 Ų | 62 | 96.5 Ų | 96.5 | 27% | 0.272 | 53% | 0.528 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 29.5 | 170.9 | -46.7 | -69.1 | 0 | 0 | 0 | 116.2 | R220 | F169-R220 HydrophobicContact CE1-CB 3.75Å; F169-R220 HydrophobicContact CE1-CG 4.21Å; F169-R220 HydrophobicContact CZ-CB 3.77Å |
| 170 | G | 67.8 | Low | 65.6 | Low | 63 Ų | 63 | 92.3 Ų | 92.3 | 65% | 0.649 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.1 | 13.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q168 | Q168-G170 VanDerWaalsContact C-N 3.3Å; Q168-G170 PolarHBondContact O-N 3.47Å |
| 171 | A | 78.1 | Confident | 66.5 | Low | 19 Ų | 19 | 86.8 Ų | 86.8 | 16% | 0.157 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 139.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | C167 Q168 C182 V183 C215 | C167-A171 HydrophobicContact CB-CB 3.97Å; Q168-A171 PolarHBondContact O-N 3.39Å; A171-C182 HydrophobicContact CB-CB 3.85Å; A171-V183 WeakPolarHBondContact CA-O 3.14Å; A171-C215 VanDerWaalsContact CA-SG 3.55Å; A171-C215 PolarHBondContact N-SG 3.47Å; A171-C215 VanDerWaalsContact N-SG 3.42Å |
| 172 | E | 76.6 | Confident | 67.9 | Low | 138 Ų | 138 | 83.4 Ų | 83.4 | 65% | 0.645 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 137.9 | 170.3 | -174.5 | 167.1 | -166.5 | 0 | 0 | 109 | V183 | E172-V183 PolarHBondContact N-O 2.89Å; E172-V183 PolarHBondContact O-N 2.95Å |
| 173 | C | 75.6 | Confident | 69.4 | Low | 33 Ų | 33 | 83.1 Ų | 83.1 | 22% | 0.223 | 47% | 0.465 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 123.5 | 179.7 | 146.1 | 0 | 0 | 0 | 0 | 109.4 | C164 W181 | C164-C173 HydrophobicContact CB-CB 4.18Å; C164-C173 WeakPolarHBondContact CB-SG 3.41Å; C164-C173 WeakPolarHBondContact SG-CB 3.26Å; C164-C173 CovalentContact SG-SG 2Å; C164-C173 PolarHBondContact SG-SG 2.78Å; C173-W181 WeakPolarHBondContact CA-O 3.37Å; C173-W181 VanDerWaalsContact SG-CE2 3.56Å; C173-W181 PolarHBondContact SG-NE1 2.84Å |
| 174 | D | 74.5 | Confident | 70.8 | Confident | 67 Ų | 67 | 80.5 Ų | 80.5 | 36% | 0.358 | 45% | 0.45 | S | S | . | . | trans | -107.2 | 105.1 | 172.1 | -168.8 | -7.8 | 0 | 0 | 0 | 109.1 | D176 A177 W181 V183 | D174-D176 PolarHBondContact O-N 3.04Å; D174-D176 PolarHBondContact OD1-N 3.41Å; D174-D176 VanDerWaalsContact OD1-N 3.1Å; D174-A177 HydrophobicContact CB-CB 4.33Å; D174-A177 PolarHBondContact O-N 3.09Å; D174-W181 PolarHBondContact N-O 3.37Å; D174-V183 HydrophobicContact CB-CG2 3.65Å | ||
| 175 | V | 65.1 | Low | 72 | Confident | 90 Ų | 90 | 85.5 Ų | 85.5 | 55% | 0.545 | 47% | 0.474 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -14.8 | -178.5 | -67.3 | 0 | 0 | 0 | 0 | 113 | W181 | V175-W181 HydrophobicContact CB-CH2 4.4Å; V175-W181 HydrophobicContact CB-CZ2 4.45Å; V175-W181 HydrophobicContact CG1-CH2 4.05Å; V175-W181 HydrophobicContact CG1-CZ2 3.75Å |
| 176 | D | 68.6 | Low | 73.1 | Confident | 141 Ų | 141 | 82 Ų | 82 | 75% | 0.754 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.8 | -1.9 | -177.6 | -63.6 | -42.1 | 0 | 0 | 0 | 112.4 | D174 | D174-D176 PolarHBondContact O-N 3.04Å; D174-D176 PolarHBondContact OD1-N 3.41Å; D174-D176 VanDerWaalsContact OD1-N 3.1Å |
| 177 | A | 66.2 | Low | 74 | Confident | 32 Ų | 32 | 81.1 Ų | 81.1 | 26% | 0.264 | 45% | 0.452 | S | S | . | . | trans | -81.2 | 118.6 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | D174 D179 V180 | D174-A177 HydrophobicContact CB-CB 4.33Å; D174-A177 PolarHBondContact O-N 3.09Å; A177-D179 VanDerWaalsContact C-N 3.33Å; A177-D179 PolarHBondContact O-N 3.28Å; A177-V180 WeakPolarHBondContact CB-O 3.27Å | ||
| 178 | E | 62.6 | Low | 74.8 | Confident | 191 Ų | 191 | 80.4 Ų | 80.4 | 89% | 0.893 | 45% | 0.446 | S | S | * | . | S | Bend | trans | -69.6 | -25.5 | -175.5 | -64.6 | 179.6 | 154.3 | 0 | 0 | 113.5 | ||
| 179 | D | 59.7 | Low | 75.2 | Confident | 159 Ų | 159 | 80.9 Ų | 80.9 | 85% | 0.85 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -128.6 | -19.2 | -172.1 | -71.9 | -44.1 | 0 | 0 | 0 | 115.7 | A177 | A177-D179 VanDerWaalsContact C-N 3.33Å; A177-D179 PolarHBondContact O-N 3.28Å |
| 180 | V | 61.6 | Low | 75.1 | Confident | 97 Ų | 97 | 86.6 Ų | 86.6 | 59% | 0.588 | 49% | 0.487 | S | S | * | . | trans | -140.8 | 109.3 | -176 | -176.9 | 0 | 0 | 0 | 0 | 110.8 | A177 | A177-V180 WeakPolarHBondContact CB-O 3.27Š| ||
| 181 | W | 69.7 | Low | 75.6 | Confident | 64 Ų | 64 | 87.3 Ų | 87.3 | 24% | 0.242 | 48% | 0.475 | C | S | . | . | trans | -77.4 | -32.7 | -170 | -167.6 | -71.1 | 0 | 0 | 0 | 114.4 | T163 C164 C173 D174 V175 | T163-W181 VanDerWaalsContact C-CD2 3.48Å; T163-W181 VanDerWaalsContact CB-CE3 3.42Å; T163-W181 VanDerWaalsContact CB-CH2 3.49Å; T163-W181 HydrophobicContact CG2-CD2 3.69Å; T163-W181 HydrophobicContact CG2-CE3 3.19Å; T163-W181 HydrophobicContact CG2-CG 4.38Å; T163-W181 HydrophobicContact CG2-CH2 4.26Å; T163-W181 HydrophobicContact CG2-CZ3 3.55Å; T163-W181 VanDerWaalsContact O-CD1 3.22Å; T163-W181 VanDerWaalsContact O-CG 3.24Å; T163-W181 PolarHBondContact O-NE1 2.84Å; C164-W181 VanDerWaalsContact CA-CZ2 3.43Å; C164-W181 HydrophobicContact CB-CZ2 3.39Å; C173-W181 WeakPolarHBondContact CA-O 3.37Å; C173-W181 VanDerWaalsContact SG-CE2 3.56Å; C173-W181 PolarHBondContact SG-NE1 2.84Å; D174-W181 PolarHBondContact N-O 3.37Å; V175-W181 HydrophobicContact CB-CH2 4.4Å; V175-W181 HydrophobicContact CB-CZ2 4.45Å; V175-W181 HydrophobicContact CG1-CH2 4.05Å; V175-W181 HydrophobicContact CG1-CZ2 3.75Å | ||
| 182 | C | 80.9 | Confident | 75.7 | Confident | 31 Ų | 31 | 91 Ų | 91 | 21% | 0.209 | 50% | 0.5 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 116 | -174.9 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | C167 A171 | C167-C182 WeakPolarHBondContact CA-SG 3.45Å; C167-C182 HydrophobicContact CB-CB 3.95Å; C167-C182 WeakPolarHBondContact CB-SG 3.37Å; C167-C182 WeakPolarHBondContact SG-CA 3.2Å; C167-C182 WeakPolarHBondContact SG-CB 3.24Å; C167-C182 CovalentContact SG-SG 2.05Å; C167-C182 PolarHBondContact SG-SG 2.02Å; A171-C182 HydrophobicContact CB-CB 3.85Å |
| 183 | V | 84.1 | Confident | 76 | Confident | 62 Ų | 62 | 90.8 Ų | 90.8 | 38% | 0.376 | 50% | 0.497 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 127.2 | -178.4 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | A171 E172 D174 | A171-V183 WeakPolarHBondContact CA-O 3.14Å; E172-V183 PolarHBondContact N-O 2.89Å; E172-V183 PolarHBondContact O-N 2.95Å; D174-V183 HydrophobicContact CB-CG2 3.65Å |
| 184 | C | 86.4 | Confident | 76.4 | Confident | 36 Ų | 36 | 92.6 Ų | 92.6 | 24% | 0.243 | 51% | 0.505 | C | S | . | . | trans | -101.4 | 107.6 | 179.6 | -66.6 | 0 | 0 | 0 | 0 | 111 | C215 Q216 | C184-C215 VanDerWaalsContact CA-SG 3.56Å; C184-C215 HydrophobicContact CB-CB 3.92Å; C184-C215 WeakPolarHBondContact CB-SG 3.37Å; C184-C215 WeakPolarHBondContact SG-CB 3.06Å; C184-C215 PolarHBondContact SG-O 2.89Å; C184-C215 CovalentContact SG-SG 2.03Å; C184-C215 PolarHBondContact SG-SG 3.44Å; C184-Q216 HydrophobicContact CB-CG 4.27Å; C184-Q216 PolarHBondContact SG-N 3.45Å; C184-Q216 VanDerWaalsContact SG-N 3.42Å | ||
| 185 | N | 82.5 | Confident | 77 | Confident | 145 Ų | 145 | 90.9 Ų | 90.9 | 78% | 0.775 | 50% | 0.497 | S | S | * | . | trans | -103.1 | 66.5 | 178.5 | -160.2 | 25.8 | 0 | 0 | 0 | 111.2 | ||||
| 186 | I | 84.9 | Confident | 78.2 | Confident | 46 Ų | 46 | 86.6 Ų | 86.6 | 24% | 0.236 | 47% | 0.471 | C | S | . | . | trans | -114.9 | 115.9 | -177.6 | -62.2 | 170.1 | 0 | 0 | 0 | 108.7 | E212 C215 | I186-E212 HydrophobicContact CB-CB 4.31Å; I186-E212 HydrophobicContact CB-CG 4.41Å; I186-E212 HydrophobicContact CG2-CB 4.02Å; I186-C215 HydrophobicContact CD1-CB 3.73Å | ||
| 187 | D | 86 | Confident | 79.3 | Confident | 105 Ų | 105 | 80.1 Ų | 80.1 | 56% | 0.561 | 44% | 0.437 | S | S | * | . | trans | -102.3 | 114.4 | 175.9 | -178.2 | 8.9 | 0 | 0 | 0 | 111.1 | S189 | D187-S189 WeakPolarHBondContact OD1-CB 2.97Å; D187-S189 PolarHBondContact OD1-N 3.15Å; D187-S189 PolarHBondContact OD1-OG 3.1Å | ||
| 188 | C | 86.9 | Confident | 80.4 | Confident | 15 Ų | 15 | 78.6 Ų | 78.6 | 10% | 0.101 | 42% | 0.424 | C | S | . | . | trans | -101.7 | 5.8 | 179.1 | -57.5 | 0 | 0 | 0 | 0 | 114 | H190 I191 C208 Q209 | C188-H190 VanDerWaalsContact C-N 3.29Å; C188-H190 PolarHBondContact O-N 2.02Å; C188-I191 PolarHBondContact O-N 2.87Å; C188-C208 WeakPolarHBondContact CA-SG 3.09Å; C188-C208 HydrophobicContact CB-CB 3.83Å; C188-C208 WeakPolarHBondContact CB-SG 3.39Å; C188-C208 WeakPolarHBondContact SG-CB 3.46Å; C188-C208 PolarHBondContact SG-O 2.92Å; C188-C208 CovalentContact SG-SG 2.05Å; C188-C208 PolarHBondContact SG-SG 3.3Å; C188-Q209 HydrophobicContact CB-CG 4.47Å | ||
| 189 | S | 82.3 | Confident | 81.6 | Confident | 102 Ų | 102 | 72.7 Ų | 72.7 | 71% | 0.713 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -25.3 | -170.6 | -51.7 | 0 | 0 | 0 | 0 | 114.4 | D187 | D187-S189 WeakPolarHBondContact OD1-CB 2.97Å; D187-S189 PolarHBondContact OD1-N 3.15Å; D187-S189 PolarHBondContact OD1-OG 3.1Å |
| 190 | H | 77.4 | Confident | 82.9 | Confident | 182 Ų | 182 | 67.6 Ų | 67.6 | 84% | 0.843 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.6 | 11.1 | -177.2 | -72.3 | -72.7 | 0 | 0 | 0 | 114.2 | C188 | C188-H190 VanDerWaalsContact C-N 3.29Å; C188-H190 PolarHBondContact O-N 2.02Å |
| 191 | I | 78.4 | Confident | 84.1 | Confident | 79 Ų | 79 | 65.4 Ų | 65.4 | 41% | 0.405 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -102.3 | 138.7 | -173.5 | -62.7 | 172.1 | 0 | 0 | 0 | 110.2 | C188 N206 C208 | C188-I191 PolarHBondContact O-N 2.87Å; I191-N206 HydrophobicContact CG2-CB 4.05Å; I191-C208 HydrophobicContact CD1-CB 3.24Å; I191-C208 WeakPolarHBondContact CD1-SG 3.46Å |
| 192 | S | 79.1 | Confident | 85 | Confident | 96 Ų | 96 | 69.9 Ų | 69.9 | 67% | 0.671 | 39% | 0.39 | S | S | * | . | trans | -67.3 | 145.4 | -178.2 | 52.4 | 0 | 0 | 0 | 0 | 112.3 | N194 | S192-N194 PolarHBondContact O-N 2.77Å; S192-N194 VanDerWaalsContact O-N 3.16Å | ||
| 193 | F | 83.9 | Confident | 85.5 | Confident | 133 Ų | 133 | 69.7 Ų | 69.7 | 58% | 0.583 | 39% | 0.389 | S | S | * | . | trans | -62.2 | 113.7 | 173.9 | -174.8 | -92.6 | 0 | 0 | 0 | 110 | P195 D205 | F193-P195 HydrophobicContact CE1-CB 4.34Å; F193-P195 HydrophobicContact CE1-CG 3.89Å; F193-P195 HydrophobicContact CZ-CB 4.3Å; F193-P195 HydrophobicContact CZ-CG 4.32Å; F193-D205 HydrophobicContact CD2-CB 3.82Å; F193-D205 HydrophobicContact CE2-CB 3.8Å; F193-D205 WeakPolarHBondContact CE2-OD1 3.29Å | ||
| 194 | N | 83.8 | Confident | 85.7 | Confident | 72 Ų | 72 | 67.4 Ų | 67.4 | 39% | 0.385 | 37% | 0.374 | S | S | . | . | trans | -145.7 | 87.5 | 177.3 | -177.6 | 15.8 | 0 | 0 | 0 | 108.3 | S192 V196 D205 N206 | S192-N194 PolarHBondContact O-N 2.77Å; S192-N194 VanDerWaalsContact O-N 3.16Å; N194-V196 PolarHBondContact O-N 3.49Å; N194-D205 CarbonylContact C-O 3.33Å; N194-D205 PolarHBondContact N-O 2.94Å; N194-N206 WeakPolarHBondContact O-CA 3.34Å | ||
| 195 | P | 86.9 | Confident | 85.7 | Confident | 31 Ų | 31 | 68.8 Ų | 68.8 | 20% | 0.201 | 38% | 0.379 | C | S | . | . | trans | -65.1 | 139.6 | -167.9 | 26.1 | -33.6 | 0 | 0 | 0 | 110.8 | F193 Y204 G227 R228 | F193-P195 HydrophobicContact CE1-CB 4.34Å; F193-P195 HydrophobicContact CE1-CG 3.89Å; F193-P195 HydrophobicContact CZ-CB 4.3Å; F193-P195 HydrophobicContact CZ-CG 4.32Å; P195-Y204 CarbonylContact C-O 3.57Å; P195-Y204 WeakPolarHBondContact CA-O 3.46Å; P195-G227 WeakPolarHBondContact O-CA 3.29Å; P195-G227 PolarHBondContact O-N 2.65Å; P195-R228 HydrophobicContact CB-CG 4.2Å | ||
| 196 | V | 89.7 | Confident | 86 | Confident | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 148.4 | -179.3 | -64.5 | 0 | 0 | 0 | 0 | 111.2 | N194 S203 Y204 P207 V210 V223 L226 G227 | N194-V196 PolarHBondContact O-N 3.49Å; V196-S203 CarbonylContact O-C 3.08Å; V196-S203 WeakPolarHBondContact O-CA 3.44Å; V196-Y204 PolarHBondContact N-O 3.2Å; V196-Y204 PolarHBondContact O-N 3.4Å; V196-P207 HydrophobicContact CG1-CG 3.99Å; V196-V210 HydrophobicContact CG2-CG2 3.48Å; V196-V210 VanDerWaalsContact CG2-CG2 3.48Å; V196-V223 HydrophobicContact CB-CG1 3.9Å; V196-V223 HydrophobicContact CB-CG2 4.16Å; V196-V223 HydrophobicContact CG1-CG1 4.06Å; V196-V223 HydrophobicContact CG1-CG2 4.43Å; V196-V223 HydrophobicContact CG2-CG2 3.98Å; V196-L226 HydrophobicContact CG1-CD2 3.84Å; V196-G227 CarbonylContact C-O 3.58Å; V196-G227 VanDerWaalsContact CA-O 3.29Å; V196-G227 WeakPolarHBondContact CA-O 3.44Å |
| 197 | C | 91.6 | Very high | 86.1 | Confident | 4 Ų | 4 | 62.5 Ų | 62.5 | 3% | 0.027 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 120 | 173.1 | -179 | 0 | 0 | 0 | 0 | 107.3 | K224 Y225 G227 C229 | C197-K224 WeakPolarHBondContact O-CA 3.47Å; C197-K224 WeakPolarHBondContact O-CB 3.3Å; C197-K224 PolarHBondContact O-N 3.22Å; C197-Y225 HydrophobicContact CB-CD1 4.15Å; C197-Y225 HydrophobicContact CB-CD2 3.81Å; C197-Y225 HydrophobicContact CB-CE1 3.81Å; C197-Y225 HydrophobicContact CB-CE2 3.44Å; C197-Y225 VanDerWaalsContact CB-CE2 3.44Å; C197-Y225 HydrophobicContact CB-CG 4.16Å; C197-Y225 VanDerWaalsContact CB-CZ 3.45Å; C197-Y225 PolarHBondContact N-O 3.27Å; C197-Y225 PolarHBondContact O-N 3.09Å; C197-Y225 VanDerWaalsContact SG-CE1 3.58Å; C197-Y225 PolarHBondContact SG-OH 2.94Å; C197-G227 WeakPolarHBondContact CB-O 3.01Å; C197-G227 PolarHBondContact N-O 2.91Å; C197-C229 WeakPolarHBondContact CA-SG 3.43Å; C197-C229 HydrophobicContact CB-CB 4.12Å; C197-C229 WeakPolarHBondContact CB-SG 3.26Å; C197-C229 WeakPolarHBondContact SG-CA 3.39Å; C197-C229 WeakPolarHBondContact SG-CB 3.17Å; C197-C229 CovalentContact SG-SG 2.04Å; C197-C229 PolarHBondContact SG-SG 3.08Å |
| 198 | A | 89.9 | Confident | 86.4 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 169.7 | -179 | 0 | 0 | 0 | 0 | 0 | 112.3 | D200 G201 R202 Y204 V210 I221 E222 | A198-D200 WeakPolarHBondContact CB-OD1 2.98Å; A198-D200 PolarHBondContact O-N 3.2Å; A198-G201 PolarHBondContact O-N 3.49Å; A198-G201 VanDerWaalsContact O-N 3.08Å; A198-R202 PolarHBondContact N-O 3.47Å; A198-Y204 HydrophobicContact CB-CD2 3.55Å; A198-Y204 HydrophobicContact CB-CE2 3.51Å; A198-V210 HydrophobicContact CB-CG1 4.26Å; A198-V210 HydrophobicContact CB-CG2 4.44Å; A198-I221 HydrophobicContact CB-CG2 3.58Å; A198-E222 CarbonylContact C-O 3.52Å; A198-E222 VanDerWaalsContact CA-O 3.25Å; A198-E222 WeakPolarHBondContact CA-O 2.92Å |
| 199 | S | 88.3 | Confident | 86.6 | Confident | 67 Ų | 67 | 59.9 Ų | 59.9 | 47% | 0.469 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -25.1 | 179.6 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | G201 I221 E222 | S199-G201 PolarHBondContact O-N 3.18Å; S199-I221 WeakPolarHBondContact OG-CA 3.38Å; S199-E222 PolarHBondContact N-O 3.11Å; S199-E222 PolarHBondContact OG-N 3.48Å |
| 200 | D | 86.2 | Confident | 87 | Confident | 53 Ų | 53 | 55.3 Ų | 55.3 | 28% | 0.283 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -1.8 | 174.4 | 75.5 | -24.1 | 0 | 0 | 0 | 113.3 | A198 R202 Y204 I221 | A198-D200 WeakPolarHBondContact CB-OD1 2.98Å; A198-D200 PolarHBondContact O-N 3.2Å; D200-R202 VanDerWaalsContact C-N 3.27Å; D200-R202 PolarHBondContact O-N 3.05Å; D200-R202 WeakPolarHBondContact OD1-CB 3Å; D200-R202 PolarHBondContact OD1-N 3.37Å; D200-R202 WeakPolarHBondContact OD2-CB 3.44Å; D200-R202 WeakPolarHBondContact OD2-CD 3.49Å; D200-R202 VanDerWaalsContact OD2-CG 3.27Å; D200-R202 WeakPolarHBondContact OD2-CG 3.06Å; D200-Y204 PolarHBondContact OD2-OH 3.41Å; D200-Y204 VanDerWaalsContact OD2-OH 3.07Å; D200-I221 HydrophobicContact CB-CG2 4.32Å |
| 201 | G | 86.8 | Confident | 87.5 | Confident | 50 Ų | 50 | 53.4 Ų | 53.4 | 52% | 0.515 | 29% | 0.29 | S | S | . | . | S | Bend | trans | 76.2 | 11.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114 | A198 S199 C229 | A198-G201 PolarHBondContact O-N 3.49Å; A198-G201 VanDerWaalsContact O-N 3.08Å; S199-G201 PolarHBondContact O-N 3.18Å; G201-C229 WeakPolarHBondContact O-CB 3.4Å; G201-C229 PolarHBondContact O-SG 2.9Å |
| 202 | R | 89 | Confident | 88.1 | Confident | 159 Ų | 159 | 52.3 Ų | 52.3 | 60% | 0.6 | 28% | 0.283 | S | S | * | . | trans | -100.4 | 149.3 | 175.4 | -60 | -176.6 | 120.5 | 81.6 | 0.3 | 111.8 | A198 D200 Y204 C229 | A198-R202 PolarHBondContact N-O 3.47Å; D200-R202 VanDerWaalsContact C-N 3.27Å; D200-R202 PolarHBondContact O-N 3.05Å; D200-R202 WeakPolarHBondContact OD1-CB 3Å; D200-R202 PolarHBondContact OD1-N 3.37Å; D200-R202 WeakPolarHBondContact OD2-CB 3.44Å; D200-R202 WeakPolarHBondContact OD2-CD 3.49Å; D200-R202 VanDerWaalsContact OD2-CG 3.27Å; D200-R202 WeakPolarHBondContact OD2-CG 3.06Å; R202-Y204 HydrophobicContact CB-CE2 3.94Å; R202-C229 PolarHBondContact O-SG 3.49Å | ||
| 203 | S | 90.8 | Very high | 88.7 | Confident | 26 Ų | 26 | 50.3 Ų | 50.3 | 18% | 0.182 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 129.1 | 174.1 | -44.6 | 0 | 0 | 0 | 0 | 109.6 | V196 R228 C229 D232 | V196-S203 CarbonylContact O-C 3.08Å; V196-S203 WeakPolarHBondContact O-CA 3.44Å; S203-R228 WeakPolarHBondContact OG-CB 3.46Å; S203-C229 PolarHBondContact OG-N 3.08Å; S203-D232 PolarHBondContact OG-OD2 3Å; S203-D232 VanDerWaalsContact OG-OD2 3.05Å |
| 204 | Y | 88.8 | Confident | 89 | Confident | 15 Ų | 15 | 44.5 Ų | 44.5 | 6% | 0.059 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 147.8 | 174.4 | -69.3 | -81.1 | 0 | 0 | 0 | 110 | P195 V196 A198 D200 R202 N206 Q209 V210 E213 I221 | P195-Y204 CarbonylContact C-O 3.57Å; P195-Y204 WeakPolarHBondContact CA-O 3.46Å; V196-Y204 PolarHBondContact N-O 3.2Å; V196-Y204 PolarHBondContact O-N 3.4Å; A198-Y204 HydrophobicContact CB-CD2 3.55Å; A198-Y204 HydrophobicContact CB-CE2 3.51Å; D200-Y204 PolarHBondContact OD2-OH 3.41Å; D200-Y204 VanDerWaalsContact OD2-OH 3.07Å; R202-Y204 HydrophobicContact CB-CE2 3.94Å; Y204-N206 VanDerWaalsContact C-N 3.26Å; Y204-N206 PolarHBondContact O-N 3.11Å; Y204-Q209 HydrophobicContact CD1-CB 3.89Å; Y204-Q209 HydrophobicContact CG-CB 4.46Å; Y204-V210 HydrophobicContact CD2-CG2 3.68Å; Y204-V210 HydrophobicContact CE2-CG2 4.48Å; Y204-V210 HydrophobicContact CG-CG2 3.72Å; Y204-E213 HydrophobicContact CD1-CG 4.38Å; Y204-E213 HydrophobicContact CE1-CB 3.93Å; Y204-E213 HydrophobicContact CE1-CG 3.5Å; Y204-E213 PolarHBondContact OH-OE2 3.47Å; Y204-I221 HydrophobicContact CE2-CG2 4.42Å |
| 205 | D | 87.3 | Confident | 89.2 | Confident | 64 Ų | 64 | 41.1 Ų | 41.1 | 34% | 0.342 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -72.6 | -23.5 | -175.9 | -66.5 | -32.7 | 0 | 0 | 0 | 112.4 | F193 N194 | F193-D205 HydrophobicContact CD2-CB 3.82Å; F193-D205 HydrophobicContact CE2-CB 3.8Å; F193-D205 WeakPolarHBondContact CE2-OD1 3.29Å; N194-D205 CarbonylContact C-O 3.33Å; N194-D205 PolarHBondContact N-O 2.94Å |
| 206 | N | 87.9 | Confident | 89.3 | Confident | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.043 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -156 | 161.3 | 175.5 | 63.5 | 71.8 | 0 | 0 | 0 | 111.3 | I191 N194 Y204 C208 Q209 | I191-N206 HydrophobicContact CG2-CB 4.05Å; N194-N206 WeakPolarHBondContact O-CA 3.34Å; Y204-N206 VanDerWaalsContact C-N 3.26Å; Y204-N206 PolarHBondContact O-N 3.11Å; N206-C208 PolarHBondContact O-N 3.18Å; N206-C208 VanDerWaalsContact OD1-CA 3.29Å; N206-C208 WeakPolarHBondContact OD1-CA 3.22Å; N206-C208 WeakPolarHBondContact OD1-CB 3.44Å; N206-C208 PolarHBondContact OD1-N 3.2Å; N206-Q209 PolarHBondContact O-N 3.38Å; N206-Q209 PolarHBondContact OD1-N 2.92Å |
| 207 | P | 88 | Confident | 89.1 | Confident | 51 Ų | 51 | 49.2 Ų | 49.2 | 33% | 0.331 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63.1 | -17.9 | 177.2 | -23.3 | 33.5 | 0 | 0 | 0 | 115.3 | V196 K211 | V196-P207 HydrophobicContact CG1-CG 3.99Å; P207-K211 PolarHBondContact O-N 3.45Å |
| 208 | C | 90.7 | Very high | 88.6 | Confident | 18 Ų | 18 | 51.7 Ų | 51.7 | 12% | 0.122 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -72.5 | -42 | 175.1 | 175.4 | 0 | 0 | 0 | 0 | 111.3 | C188 I191 N206 V210 K211 E212 | C188-C208 WeakPolarHBondContact CA-SG 3.09Å; C188-C208 HydrophobicContact CB-CB 3.83Å; C188-C208 WeakPolarHBondContact CB-SG 3.39Å; C188-C208 WeakPolarHBondContact SG-CB 3.46Å; C188-C208 PolarHBondContact SG-O 2.92Å; C188-C208 CovalentContact SG-SG 2.05Å; C188-C208 PolarHBondContact SG-SG 3.3Å; I191-C208 HydrophobicContact CD1-CB 3.24Å; I191-C208 WeakPolarHBondContact CD1-SG 3.46Å; N206-C208 PolarHBondContact O-N 3.18Å; N206-C208 VanDerWaalsContact OD1-CA 3.29Å; N206-C208 WeakPolarHBondContact OD1-CA 3.22Å; N206-C208 WeakPolarHBondContact OD1-CB 3.44Å; N206-C208 PolarHBondContact OD1-N 3.2Å; C208-V210 PolarHBondContact O-N 2.92Å; C208-K211 WeakPolarHBondContact O-CA 3.46Å; C208-K211 WeakPolarHBondContact O-CB 3.44Å; C208-K211 PolarHBondContact O-N 2.9Å; C208-E212 PolarHBondContact O-N 2.93Å |
| 209 | Q | 91.1 | Very high | 88.4 | Confident | 48 Ų | 48 | 57.1 Ų | 57.1 | 22% | 0.224 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.1 | -34.3 | 174.2 | -72.9 | 178.1 | -0.6 | 0 | 0 | 111.8 | C188 Y204 N206 K211 E212 E213 | C188-Q209 HydrophobicContact CB-CG 4.47Å; Y204-Q209 HydrophobicContact CD1-CB 3.89Å; Y204-Q209 HydrophobicContact CG-CB 4.46Å; N206-Q209 PolarHBondContact O-N 3.38Å; N206-Q209 PolarHBondContact OD1-N 2.92Å; Q209-K211 VanDerWaalsContact C-N 3.3Å; Q209-K211 PolarHBondContact O-N 3.31Å; Q209-E212 PolarHBondContact O-N 3.18Å; Q209-E213 VanDerWaalsContact O-CB 3.27Å; Q209-E213 WeakPolarHBondContact O-CB 3.42Å; Q209-E213 VanDerWaalsContact O-CG 3.24Å; Q209-E213 WeakPolarHBondContact O-CG 3.37Å; Q209-E213 PolarHBondContact O-N 2.67Å |
| 210 | V | 91.2 | Very high | 88.2 | Confident | 5 Ų | 5 | 62 Ų | 62 | 3% | 0.03 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.6 | -40.8 | 173.4 | -176.2 | 0 | 0 | 0 | 0 | 111.4 | V196 A198 Y204 C208 S214 I221 V223 | V196-V210 HydrophobicContact CG2-CG2 3.48Å; V196-V210 VanDerWaalsContact CG2-CG2 3.48Å; A198-V210 HydrophobicContact CB-CG1 4.26Å; A198-V210 HydrophobicContact CB-CG2 4.44Å; Y204-V210 HydrophobicContact CD2-CG2 3.68Å; Y204-V210 HydrophobicContact CE2-CG2 4.48Å; Y204-V210 HydrophobicContact CG-CG2 3.72Å; C208-V210 PolarHBondContact O-N 2.92Å; V210-S214 WeakPolarHBondContact O-CB 3.01Å; V210-S214 PolarHBondContact O-N 2.04Å; V210-I221 HydrophobicContact CG1-CB 4.33Å; V210-I221 HydrophobicContact CG1-CG2 3.79Å; V210-V223 HydrophobicContact CB-CG2 4.44Å; V210-V223 HydrophobicContact CG1-CG2 4.28Å; V210-V223 HydrophobicContact CG2-CG2 4.05Å |
| 211 | K | 88.9 | Confident | 88.5 | Confident | 143 Ų | 143 | 60.1 Ų | 60.1 | 62% | 0.622 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -72.9 | -40.5 | 177.5 | -67.7 | -178.1 | 177 | -175.6 | 0 | 112.5 | P207 C208 Q209 E213 S214 C215 | P207-K211 PolarHBondContact O-N 3.45Å; C208-K211 WeakPolarHBondContact O-CA 3.46Å; C208-K211 WeakPolarHBondContact O-CB 3.44Å; C208-K211 PolarHBondContact O-N 2.9Å; Q209-K211 VanDerWaalsContact C-N 3.3Å; Q209-K211 PolarHBondContact O-N 3.31Å; K211-E213 VanDerWaalsContact C-N 3.29Å; K211-E213 PolarHBondContact O-N 3.32Å; K211-S214 PolarHBondContact O-N 3.35Å; K211-C215 WeakPolarHBondContact O-CB 3.26Å; K211-C215 PolarHBondContact O-N 3.43Å |
| 212 | E | 90.5 | Very high | 88.4 | Confident | 56 Ų | 56 | 62.6 Ų | 62.6 | 26% | 0.262 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -57.5 | -46.3 | 174.6 | -175.6 | -179.2 | -170.6 | 0 | 0 | 110.6 | I186 C208 Q209 C215 Q216 | I186-E212 HydrophobicContact CB-CB 4.31Å; I186-E212 HydrophobicContact CB-CG 4.41Å; I186-E212 HydrophobicContact CG2-CB 4.02Å; C208-E212 PolarHBondContact O-N 2.93Å; Q209-E212 PolarHBondContact O-N 3.18Å; E212-C215 WeakPolarHBondContact O-CB 3.23Å; E212-C215 PolarHBondContact O-N 3.09Å; E212-Q216 WeakPolarHBondContact O-CG 3.43Å; E212-Q216 PolarHBondContact O-N 3.16Å; E212-Q216 PolarHBondContact OE1-NE2 2.03Å |
| 213 | E | 90.8 | Very high | 88.4 | Confident | 54 Ų | 54 | 58 Ų | 58 | 25% | 0.252 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -73.6 | -37.1 | -179.3 | -73.6 | -99.6 | 177.4 | 0 | 0 | 113 | Y204 Q209 K211 C215 Q216 K217 I221 | Y204-E213 HydrophobicContact CD1-CG 4.38Å; Y204-E213 HydrophobicContact CE1-CB 3.93Å; Y204-E213 HydrophobicContact CE1-CG 3.5Å; Y204-E213 PolarHBondContact OH-OE2 3.47Å; Q209-E213 VanDerWaalsContact O-CB 3.27Å; Q209-E213 WeakPolarHBondContact O-CB 3.42Å; Q209-E213 VanDerWaalsContact O-CG 3.24Å; Q209-E213 WeakPolarHBondContact O-CG 3.37Å; Q209-E213 PolarHBondContact O-N 2.67Å; K211-E213 VanDerWaalsContact C-N 3.29Å; K211-E213 PolarHBondContact O-N 3.32Å; E213-C215 VanDerWaalsContact C-N 3.26Å; E213-C215 PolarHBondContact O-N 2.89Å; E213-Q216 PolarHBondContact O-N 2.92Å; E213-K217 WeakPolarHBondContact O-CB 3.4Å; E213-K217 PolarHBondContact O-N 3.29Å; E213-K217 WeakPolarHBondContact OE2-CE 3.06Å; E213-K217 IonicContact OE2-NZ 3.22Å; E213-K217 PolarHBondContact OE2-NZ 2.75Å; E213-I221 HydrophobicContact CB-CD1 4.33Å |
| 214 | S | 90.7 | Very high | 88 | Confident | 11 Ų | 11 | 64.1 Ų | 64.1 | 8% | 0.077 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.3 | -43.2 | 169.5 | -174 | 0 | 0 | 0 | 0 | 110.9 | V210 K211 Q218 E219 I221 | V210-S214 WeakPolarHBondContact O-CB 3.01Å; V210-S214 PolarHBondContact O-N 2.04Å; K211-S214 PolarHBondContact O-N 3.35Å; S214-Q218 WeakPolarHBondContact O-CA 3.18Å; S214-Q218 PolarHBondContact O-N 2.89Å; S214-Q218 VanDerWaalsContact O-N 3.11Å; S214-E219 WeakPolarHBondContact CA-O 3.04Å; S214-E219 PolarHBondContact O-N 2.93Å; S214-E219 PolarHBondContact OG-O 3.35Å; S214-I221 PolarHBondContact OG-N 3.18Å |
| 215 | C | 89.3 | Confident | 87.7 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.007 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.6 | -50.7 | 175.7 | -174.3 | 0 | 0 | 0 | 0 | 112 | A171 C184 I186 K211 E212 E213 K217 Q218 | A171-C215 VanDerWaalsContact CA-SG 3.55Å; A171-C215 PolarHBondContact N-SG 3.47Å; A171-C215 VanDerWaalsContact N-SG 3.42Å; C184-C215 VanDerWaalsContact CA-SG 3.56Å; C184-C215 HydrophobicContact CB-CB 3.92Å; C184-C215 WeakPolarHBondContact CB-SG 3.37Å; C184-C215 WeakPolarHBondContact SG-CB 3.06Å; C184-C215 PolarHBondContact SG-O 2.89Å; C184-C215 CovalentContact SG-SG 2.03Å; C184-C215 PolarHBondContact SG-SG 3.44Å; I186-C215 HydrophobicContact CD1-CB 3.73Å; K211-C215 WeakPolarHBondContact O-CB 3.26Å; K211-C215 PolarHBondContact O-N 3.43Å; E212-C215 WeakPolarHBondContact O-CB 3.23Å; E212-C215 PolarHBondContact O-N 3.09Å; E213-C215 VanDerWaalsContact C-N 3.26Å; E213-C215 PolarHBondContact O-N 2.89Å; C215-K217 VanDerWaalsContact C-N 3.31Å; C215-K217 PolarHBondContact O-N 2.93Å; C215-Q218 PolarHBondContact O-N 3.14Å; C215-Q218 PolarHBondContact O-NE2 2.87Å |
| 216 | Q | 87.2 | Confident | 87.5 | Confident | 112 Ų | 112 | 70.8 Ų | 70.8 | 52% | 0.523 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.8 | -35.7 | -175.7 | -74.6 | 176.6 | 8.1 | 0 | 0 | 112.8 | C184 E212 E213 | C184-Q216 HydrophobicContact CB-CG 4.27Å; C184-Q216 PolarHBondContact SG-N 3.45Å; C184-Q216 VanDerWaalsContact SG-N 3.42Å; E212-Q216 WeakPolarHBondContact O-CG 3.43Å; E212-Q216 PolarHBondContact O-N 3.16Å; E212-Q216 PolarHBondContact OE1-NE2 2.03Å; E213-Q216 PolarHBondContact O-N 2.92Å |
| 217 | K | 86.8 | Confident | 87.3 | Confident | 88 Ų | 88 | 71.5 Ų | 71.5 | 38% | 0.383 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -87.2 | -11 | 178.4 | -72 | 169.6 | 174.1 | 145.6 | 0 | 113.6 | E213 C215 E219 I221 | E213-K217 WeakPolarHBondContact O-CB 3.4Å; E213-K217 PolarHBondContact O-N 3.29Å; E213-K217 WeakPolarHBondContact OE2-CE 3.06Å; E213-K217 IonicContact OE2-NZ 3.22Å; E213-K217 PolarHBondContact OE2-NZ 2.75Å; C215-K217 VanDerWaalsContact C-N 3.31Å; C215-K217 PolarHBondContact O-N 2.93Å; K217-E219 HydrophobicContact CB-CB 4.19Å; K217-E219 HydrophobicContact CB-CG 4.31Å; K217-E219 PolarHBondContact O-N 2.81Å; K217-I221 HydrophobicContact CD-CD1 4Å |
| 218 | Q | 80.9 | Confident | 87.2 | Confident | 56 Ų | 56 | 76.1 Ų | 76.1 | 26% | 0.262 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 38.6 | -170.6 | -66.9 | -67.7 | -62.9 | 0 | 0 | 112.1 | I166 Q168 S214 C215 | I166-Q218 PolarHBondContact O-OE1 2.97Å; Q168-Q218 PolarHBondContact O-NE2 2.75Å; Q168-Q218 PolarHBondContact O-OE1 2.97Å; S214-Q218 WeakPolarHBondContact O-CA 3.18Å; S214-Q218 PolarHBondContact O-N 2.89Å; S214-Q218 VanDerWaalsContact O-N 3.11Å; C215-Q218 PolarHBondContact O-N 3.14Å; C215-Q218 PolarHBondContact O-NE2 2.87Å |
| 219 | E | 86.1 | Confident | 87.1 | Confident | 115 Ų | 115 | 75.9 Ų | 75.9 | 54% | 0.537 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -127.6 | 143.1 | -177.6 | -75.8 | -179.7 | 179.6 | 0 | 0 | 110.4 | S214 K217 I221 | S214-E219 WeakPolarHBondContact CA-O 3.04Å; S214-E219 PolarHBondContact O-N 2.93Å; S214-E219 PolarHBondContact OG-O 3.35Å; K217-E219 HydrophobicContact CB-CB 4.19Å; K217-E219 HydrophobicContact CB-CG 4.31Å; K217-E219 PolarHBondContact O-N 2.81Å; E219-I221 HydrophobicContact CB-CG1 4.45Å; E219-I221 PolarHBondContact O-N 3.22Å |
| 220 | R | 83.9 | Confident | 86.3 | Confident | 170 Ų | 170 | 81.1 Ų | 81.1 | 64% | 0.642 | 37% | 0.373 | S | S | * | . | trans | -71.2 | 91.7 | 176.9 | -178.2 | -179 | -76.4 | -96.8 | 1 | 110.8 | F169 E222 | F169-R220 HydrophobicContact CE1-CB 3.75Å; F169-R220 HydrophobicContact CE1-CG 4.21Å; F169-R220 HydrophobicContact CZ-CB 3.77Å; R220-E222 VanDerWaalsContact CD-OE1 3.29Å; R220-E222 WeakPolarHBondContact CD-OE1 2.97Å; R220-E222 HydrophobicContact CG-CG 3.99Å; R220-E222 IonicContact CZ-OE1 2.81Å; R220-E222 IonicContact NE-OE1 2.75Å; R220-E222 IonicContact NH1-OE1 2.71Å; R220-E222 PolarHBondContact NH1-OE1 3.19Å | ||
| 221 | I | 91.1 | Very high | 85.1 | Confident | 12 Ų | 12 | 83.8 Ų | 83.8 | 6% | 0.062 | 40% | 0.402 | C | S | . | . | trans | -99.1 | 118.5 | 171.4 | -50.7 | 179.5 | 0 | 0 | 0 | 109.2 | A198 S199 D200 Y204 V210 E213 S214 K217 E219 | A198-I221 HydrophobicContact CB-CG2 3.58Å; S199-I221 WeakPolarHBondContact OG-CA 3.38Å; D200-I221 HydrophobicContact CB-CG2 4.32Å; Y204-I221 HydrophobicContact CE2-CG2 4.42Å; V210-I221 HydrophobicContact CG1-CB 4.33Å; V210-I221 HydrophobicContact CG1-CG2 3.79Å; E213-I221 HydrophobicContact CB-CD1 4.33Å; S214-I221 PolarHBondContact OG-N 3.18Å; K217-I221 HydrophobicContact CD-CD1 4Å; E219-I221 HydrophobicContact CB-CG1 4.45Å; E219-I221 PolarHBondContact O-N 3.22Å | ||
| 222 | E | 85.8 | Confident | 83.5 | Confident | 102 Ų | 102 | 80.7 Ų | 80.7 | 48% | 0.477 | 39% | 0.392 | S | S | . | . | trans | -120 | 150.6 | -177.7 | -68.7 | -177.5 | -176.1 | 0 | 0 | 111 | A198 S199 R220 K224 | A198-E222 CarbonylContact C-O 3.52Å; A198-E222 VanDerWaalsContact CA-O 3.25Å; A198-E222 WeakPolarHBondContact CA-O 2.92Å; S199-E222 PolarHBondContact N-O 3.11Å; S199-E222 PolarHBondContact OG-N 3.48Å; R220-E222 VanDerWaalsContact CD-OE1 3.29Å; R220-E222 WeakPolarHBondContact CD-OE1 2.97Å; R220-E222 HydrophobicContact CG-CG 3.99Å; R220-E222 IonicContact CZ-OE1 2.81Å; R220-E222 IonicContact NE-OE1 2.75Å; R220-E222 IonicContact NH1-OE1 2.71Å; R220-E222 PolarHBondContact NH1-OE1 3.19Å; E222-K224 PolarHBondContact O-N 3.33Å | ||
| 223 | V | 88.1 | Confident | 81.8 | Confident | 64 Ų | 64 | 84.1 Ų | 84.1 | 39% | 0.388 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 116.1 | 174.9 | 175 | 0 | 0 | 0 | 0 | 109.3 | V196 V210 | V196-V223 HydrophobicContact CB-CG1 3.9Å; V196-V223 HydrophobicContact CB-CG2 4.16Å; V196-V223 HydrophobicContact CG1-CG1 4.06Å; V196-V223 HydrophobicContact CG1-CG2 4.43Å; V196-V223 HydrophobicContact CG2-CG2 3.98Å; V210-V223 HydrophobicContact CB-CG2 4.44Å; V210-V223 HydrophobicContact CG1-CG2 4.28Å; V210-V223 HydrophobicContact CG2-CG2 4.05Å |
| 224 | K | 83.2 | Confident | 79.8 | Confident | 153 Ų | 153 | 87.7 Ų | 87.7 | 67% | 0.665 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -44.6 | 177.1 | -166.5 | -179.3 | -178.5 | 170.4 | 0 | 111.6 | C197 E222 | C197-K224 WeakPolarHBondContact O-CA 3.47Å; C197-K224 WeakPolarHBondContact O-CB 3.3Å; C197-K224 PolarHBondContact O-N 3.22Å; E222-K224 PolarHBondContact O-N 3.33Å |
| 225 | Y | 82.4 | Confident | 77.9 | Confident | 92 Ų | 92 | 93 Ų | 93 | 36% | 0.361 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.4 | 163.5 | 175.1 | 58.2 | -96.7 | 0 | 0 | 0 | 111.7 | C197 C229 Q230 | C197-Y225 HydrophobicContact CB-CD1 4.15Å; C197-Y225 HydrophobicContact CB-CD2 3.81Å; C197-Y225 HydrophobicContact CB-CE1 3.81Å; C197-Y225 HydrophobicContact CB-CE2 3.44Å; C197-Y225 VanDerWaalsContact CB-CE2 3.44Å; C197-Y225 HydrophobicContact CB-CG 4.16Å; C197-Y225 VanDerWaalsContact CB-CZ 3.45Å; C197-Y225 PolarHBondContact N-O 3.27Å; C197-Y225 PolarHBondContact O-N 3.09Å; C197-Y225 VanDerWaalsContact SG-CE1 3.58Å; C197-Y225 PolarHBondContact SG-OH 2.94Å; Y225-C229 WeakPolarHBondContact OH-CA 3.41Å; Y225-Q230 PolarHBondContact OH-N 3.35Å |
| 226 | L | 83.4 | Confident | 75.7 | Confident | 128 Ų | 128 | 96.3 Ų | 96.3 | 67% | 0.67 | 50% | 0.503 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 137.2 | 176 | -62.1 | 171.3 | 0 | 0 | 0 | 110.9 | V196 | V196-L226 HydrophobicContact CG1-CD2 3.84Å |
| 227 | G | 83.1 | Confident | 73.5 | Confident | 23 Ų | 23 | 96.8 Ų | 96.8 | 24% | 0.237 | 52% | 0.518 | C | S | . | . | S | Bend | trans | 103.8 | 175.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | P195 V196 C197 | P195-G227 WeakPolarHBondContact O-CA 3.29Å; P195-G227 PolarHBondContact O-N 2.65Å; V196-G227 CarbonylContact C-O 3.58Å; V196-G227 VanDerWaalsContact CA-O 3.29Å; V196-G227 WeakPolarHBondContact CA-O 3.44Å; C197-G227 WeakPolarHBondContact CB-O 3.01Å; C197-G227 PolarHBondContact N-O 2.91Å |
| 228 | R | 86.8 | Confident | 71.6 | Confident | 147 Ų | 147 | 103.1 Ų | 103.1 | 56% | 0.555 | 55% | 0.546 | S | S | * | . | trans | -76.5 | 155.5 | -179.6 | -66.3 | -169.5 | 173 | -167.4 | -5.4 | 112.3 | P195 S203 | P195-R228 HydrophobicContact CB-CG 4.2Å; S203-R228 WeakPolarHBondContact OG-CB 3.46Å | ||
| 229 | C | 88 | Confident | 69.5 | Low | 13 Ų | 13 | 103.8 Ų | 103.8 | 9% | 0.088 | 57% | 0.568 | C | S | . | * | trans | -68.6 | 146.2 | 175.4 | -61.4 | 0 | 0 | 0 | 0 | 111.8 | C197 G201 R202 S203 Y225 G231 D232 | C197-C229 WeakPolarHBondContact CA-SG 3.43Å; C197-C229 HydrophobicContact CB-CB 4.12Å; C197-C229 WeakPolarHBondContact CB-SG 3.26Å; C197-C229 WeakPolarHBondContact SG-CA 3.39Å; C197-C229 WeakPolarHBondContact SG-CB 3.17Å; C197-C229 CovalentContact SG-SG 2.04Å; C197-C229 PolarHBondContact SG-SG 3.08Å; G201-C229 WeakPolarHBondContact O-CB 3.4Å; G201-C229 PolarHBondContact O-SG 2.9Å; R202-C229 PolarHBondContact O-SG 3.49Å; S203-C229 PolarHBondContact OG-N 3.08Å; Y225-C229 WeakPolarHBondContact OH-CA 3.41Å; C229-G231 PolarHBondContact O-N 3.28Å; C229-D232 PolarHBondContact O-N 2.87Å | ||
| 230 | Q | 74.9 | Confident | 67.5 | Low | 159 Ų | 159 | 102.6 Ų | 102.6 | 74% | 0.743 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -4.9 | -172.9 | -167.9 | 60.2 | 44 | 0 | 0 | 114.4 | Y225 | Y225-Q230 PolarHBondContact OH-N 3.35Š|
| 231 | G | 64.8 | Low | 65.1 | Low | 61 Ų | 61 | 97.7 Ų | 97.7 | 63% | 0.629 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | -0.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 116 | C229 I233 | C229-G231 PolarHBondContact O-N 3.28Å; G231-I233 VanDerWaalsContact C-N 3.31Å; G231-I233 PolarHBondContact O-N 2.76Å |
| 232 | D | 55.2 | Low | 62.6 | Low | 77 Ų | 77 | 106.5 Ų | 106.5 | 41% | 0.412 | 63% | 0.629 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.3 | 22.9 | -167.1 | -141.8 | -0.3 | 0 | 0 | 0 | 114.2 | S203 C229 T234 | S203-D232 PolarHBondContact OG-OD2 3Å; S203-D232 VanDerWaalsContact OG-OD2 3.05Å; C229-D232 PolarHBondContact O-N 2.87Å; D232-T234 VanDerWaalsContact C-N 3.33Å |
| 233 | I | 55.1 | Low | 60.3 | Low | 129 Ų | 129 | 110.8 Ų | 110.8 | 66% | 0.662 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -8.8 | -179.7 | -59.3 | 178.8 | 0 | 0 | 0 | 111.6 | G231 M280 | G231-I233 VanDerWaalsContact C-N 3.31Å; G231-I233 PolarHBondContact O-N 2.76Å; I233-M280 HydrophobicContact CD1-CE 4.5Å |
| 234 | T | 49 | Very low | 58.3 | Low | 129 Ų | 129 | 113.4 Ų | 113.4 | 79% | 0.791 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -99.7 | 1.4 | -167.8 | 44.9 | 0 | 0 | 0 | 0 | 117.9 | D232 | D232-T234 VanDerWaalsContact C-N 3.33Š|
| 235 | T | 50.3 | Low | 56.4 | Low | 123 Ų | 123 | 114.6 Ų | 114.6 | 76% | 0.755 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -132.9 | 84.3 | 173.7 | 52 | 0 | 0 | 0 | 0 | 112.3 | ||
| 236 | G | 44.1 | Very low | 54.1 | Low | 70 Ų | 70 | 116.2 Ų | 116.2 | 72% | 0.722 | 69% | 0.692 | S | S | * | * | S | Bend | trans | 142.8 | 53.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 237 | S | 41.4 | Very low | 51.8 | Low | 121 Ų | 121 | 116 Ų | 116 | 85% | 0.846 | 70% | 0.696 | S | S | * | * | trans | -171.9 | 113 | 137.7 | -93.5 | 0 | 0 | 0 | 0 | 111.6 | G239 | S237-G239 PolarHBondContact O-N 2.91Š| ||
| 238 | K | 45.1 | Very low | 49.7 | Very low | 222 Ų | 222 | 124.2 Ų | 124.2 | 97% | 0.965 | 73% | 0.729 | S | S | * | * | trans | -59.1 | 113 | 154.8 | -79.6 | -178.9 | 173.9 | 176 | 0 | 108.1 | ||||
| 239 | G | 38.1 | Very low | 47.2 | Very low | 70 Ų | 70 | 125 Ų | 125 | 72% | 0.722 | 74% | 0.744 | S | S | * | * | trans | -163.9 | 95.5 | 167.4 | 0 | 0 | 0 | 0 | 0 | 108 | S237 | S237-G239 PolarHBondContact O-N 2.91Š| ||
| 240 | G | 43.5 | Very low | 45.1 | Very low | 90 Ų | 90 | 129.9 Ų | 129.9 | 93% | 0.928 | 78% | 0.778 | S | S | * | * | trans | -63.1 | 152.8 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 241 | G | 34.8 | Very low | 43.2 | Very low | 67 Ų | 67 | 125.3 Ų | 125.3 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | trans | -178.5 | 110.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | F243 | G241-F243 PolarHBondContact O-N 3.37Š| ||
| 242 | H | 36.9 | Very low | 41.7 | Very low | 196 Ų | 196 | 129.5 Ų | 129.5 | 91% | 0.907 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 130.5 | 174.7 | -105.2 | 53.4 | 0 | 0 | 0 | 112.6 | ||
| 243 | F | 38.6 | Very low | 40.9 | Very low | 192 Ų | 192 | 129.3 Ų | 129.3 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 137.2 | 157.3 | -75 | -87.3 | 0 | 0 | 0 | 109.4 | G241 | G241-F243 PolarHBondContact O-N 3.37Š|
| 244 | P | 45.1 | Very low | 39.9 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 123.3 | 150.8 | 1.7 | 17.5 | 0 | 0 | 0 | 109 | ||
| 245 | H | 43.9 | Very low | 39.5 | Very low | 178 Ų | 178 | 130 Ų | 130 | 82% | 0.824 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -51 | 143.9 | 160.7 | -92.4 | -97.2 | 0 | 0 | 0 | 111.6 | ||
| 246 | T | 34.3 | Very low | 39.1 | Very low | 125 Ų | 125 | 135 Ų | 135 | 77% | 0.767 | 82% | 0.819 | S | S | * | * | trans | -159.9 | 101.8 | 134.9 | 26.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 247 | T | 34.7 | Very low | 39.2 | Very low | 124 Ų | 124 | 135 Ų | 135 | 76% | 0.761 | 82% | 0.819 | S | S | * | * | 78.5 | 113.7 | 104 | 53.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 248 | E | 39.5 | Very low | 39.7 | Very low | 196 Ų | 196 | 136.4 Ų | 136.4 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | trans | -46.5 | 139.8 | 164.2 | -59.2 | 172 | 149.5 | 0 | 0 | 111.5 | ||||
| 249 | D | 33.3 | Very low | 39.8 | Very low | 163 Ų | 163 | 130.6 Ų | 130.6 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | -140.3 | 137.1 | 140.3 | -155.8 | 4.4 | 0 | 0 | 0 | 110.2 | ||||
| 250 | S | 43.8 | Very low | 40.7 | Very low | 116 Ų | 116 | 131.1 Ų | 131.1 | 81% | 0.811 | 77% | 0.774 | S | S | * | * | trans | -92.3 | 124.5 | -175.7 | -69.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 251 | G | 34.8 | Very low | 41.4 | Very low | 63 Ų | 63 | 131.9 Ų | 131.9 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | trans | 166.4 | 103 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 252 | T | 34.3 | Very low | 42.6 | Very low | 148 Ų | 148 | 129.6 Ų | 129.6 | 91% | 0.908 | 74% | 0.736 | S | S | * | * | trans | 57.2 | 110.6 | 147.6 | 60.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 253 | G | 38.3 | Very low | 44 | Very low | 73 Ų | 73 | 122.9 Ų | 122.9 | 75% | 0.753 | 71% | 0.71 | S | S | * | * | trans | 85.4 | 129.5 | 140 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 254 | Q | 34.9 | Very low | 45.1 | Very low | 162 Ų | 162 | 120.6 Ų | 120.6 | 76% | 0.757 | 71% | 0.706 | S | S | * | * | trans | 73.4 | 102.1 | 161.9 | -133.4 | 70.7 | 19 | 0 | 0 | 117 | R256 | Q254-R256 VanDerWaalsContact C-N 3.29Å; Q254-R256 PolarHBondContact O-N 3.23Å | ||
| 255 | A | 39.6 | Very low | 45.9 | Very low | 111 Ų | 111 | 121.5 Ų | 121.5 | 92% | 0.917 | 70% | 0.7 | S | S | * | * | trans | -62.1 | 85.6 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 256 | R | 41.4 | Very low | 47 | Very low | 228 Ų | 228 | 116.9 Ų | 116.9 | 86% | 0.86 | 68% | 0.676 | S | S | * | * | trans | -109 | 40.4 | 162.9 | -84.3 | -170.3 | 153.4 | 112 | -1.5 | 110.5 | Q254 | Q254-R256 VanDerWaalsContact C-N 3.29Å; Q254-R256 PolarHBondContact O-N 3.23Å | ||
| 257 | G | 46.7 | Very low | 48.3 | Very low | 70 Ų | 70 | 118.3 Ų | 118.3 | 72% | 0.722 | 67% | 0.671 | S | S | * | * | trans | -110.5 | 33.5 | -164.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 258 | L | 52.4 | Low | 50 | Low | 150 Ų | 150 | 119.6 Ų | 119.6 | 79% | 0.785 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -142.2 | 43.9 | 173.5 | -149.9 | 77.5 | 0 | 0 | 0 | 113.1 | ||
| 259 | Y | 47.6 | Very low | 51.8 | Low | 101 Ų | 101 | 113 Ų | 113 | 40% | 0.396 | 64% | 0.641 | S | S | . | * | trans | -137.8 | 105.1 | 173.6 | -137.9 | -95.5 | 0 | 0 | 0 | 108.5 | P261 D274 C275 Q276 | Y259-P261 WeakPolarHBondContact O-CD 3.45Å; Y259-D274 PolarHBondContact OH-O 2.99Å; Y259-C275 WeakPolarHBondContact CE1-O 3.22Å; Y259-C275 PolarHBondContact OH-O 2.78Å; Y259-Q276 HydrophobicContact CD2-CG 3.79Å; Y259-Q276 HydrophobicContact CE1-CB 4.24Å; Y259-Q276 HydrophobicContact CE1-CG 4.37Å; Y259-Q276 HydrophobicContact CE2-CB 3.63Å; Y259-Q276 HydrophobicContact CE2-CG 3.22Å; Y259-Q276 VanDerWaalsContact CZ-CB 3.42Å; Y259-Q276 VanDerWaalsContact OH-CA 3.24Å; Y259-Q276 WeakPolarHBondContact OH-CA 3.44Å; Y259-Q276 WeakPolarHBondContact OH-CB 2.94Å; Y259-Q276 PolarHBondContact OH-N 2.89Å | ||
| 260 | I | 56.7 | Low | 54.2 | Low | 81 Ų | 81 | 105.9 Ų | 105.9 | 42% | 0.415 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -75.1 | 118.4 | 165 | -65.4 | 159.4 | 0 | 0 | 0 | 105.2 | C262 N279 | I260-C262 PolarHBondContact O-N 2.98Å; I260-N279 WeakPolarHBondContact CD1-OD1 3.49Å |
| 261 | P | 56.8 | Low | 56 | Low | 106 Ų | 106 | 103.1 Ų | 103.1 | 69% | 0.688 | 59% | 0.588 | S | S | * | * | B | Isolated β-bridge | trans | -58.9 | 130.8 | 173.4 | 23.8 | -30.9 | 0 | 0 | 0 | 108.4 | Y259 | Y259-P261 WeakPolarHBondContact O-CD 3.45Å |
| 262 | C | 61 | Low | 58.2 | Low | 19 Ų | 19 | 104.3 Ų | 104.3 | 13% | 0.128 | 58% | 0.576 | C | S | . | * | P | Polyproline II helix | trans | -53.3 | 136.2 | 177.2 | -71.1 | 0 | 0 | 0 | 0 | 110 | I260 C275 | I260-C262 PolarHBondContact O-N 2.98Å; C262-C275 HydrophobicContact CB-CB 3.81Å; C262-C275 WeakPolarHBondContact CB-SG 3.15Å; C262-C275 WeakPolarHBondContact SG-CB 3.28Å; C262-C275 PolarHBondContact SG-O 2.89Å; C262-C275 CovalentContact SG-SG 2.03Å; C262-C275 PolarHBondContact SG-SG 3.4Å |
| 263 | P | 66.4 | Low | 60.4 | Low | 54 Ų | 54 | 98 Ų | 98 | 35% | 0.351 | 54% | 0.541 | S | S | . | . | P | Polyproline II helix | trans | -48.3 | 149.3 | 174.6 | -29.5 | 35.4 | 0 | 0 | 0 | 112.3 | H265 Y266 | P263-H265 WeakPolarHBondContact CB-CE1 3.32Å; P263-H265 WeakPolarHBondContact CB-ND1 3.38Å; P263-H265 PolarHBondContact O-N 2.79Å; P263-Y266 PolarHBondContact O-N 2.76Å |
| 264 | D | 62.3 | Low | 62.5 | Low | 144 Ų | 144 | 99.2 Ų | 99.2 | 77% | 0.77 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -53.4 | -25.1 | -171.6 | -73.5 | -50.2 | 0 | 0 | 0 | 115 | Y266 K267 | D264-Y266 VanDerWaalsContact C-N 3.32Å; D264-Y266 PolarHBondContact O-N 3.01Å; D264-K267 WeakPolarHBondContact O-CB 3.22Å; D264-K267 PolarHBondContact O-N 3.42Å |
| 265 | H | 61.9 | Low | 64.4 | Low | 139 Ų | 139 | 92.5 Ų | 92.5 | 64% | 0.644 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -73.6 | -18.6 | 176.5 | 58.6 | -90.4 | 0 | 0 | 0 | 114.4 | P263 | P263-H265 WeakPolarHBondContact CB-CE1 3.32Å; P263-H265 WeakPolarHBondContact CB-ND1 3.38Å; P263-H265 PolarHBondContact O-N 2.79Å |
| 266 | Y | 65.3 | Low | 65.9 | Low | 82 Ų | 82 | 90.8 Ų | 90.8 | 32% | 0.322 | 47% | 0.474 | S | S | . | . | G | 310 helix | trans | -102.9 | 5.8 | 175.6 | -67.6 | -57.1 | 0 | 0 | 0 | 113.4 | P263 D264 N268 Y269 P284 | P263-Y266 PolarHBondContact O-N 2.76Å; D264-Y266 VanDerWaalsContact C-N 3.32Å; D264-Y266 PolarHBondContact O-N 3.01Å; Y266-N268 PolarHBondContact O-N 3.08Å; Y266-N268 VanDerWaalsContact O-N 3.09Å; Y266-Y269 HydrophobicContact CD1-CD2 4.12Å; Y266-Y269 HydrophobicContact CD1-CG 4.32Å; Y266-Y269 WeakPolarHBondContact O-CB 3.3Å; Y266-Y269 PolarHBondContact O-N 2.74Å; Y266-P284 HydrophobicContact CD1-CG 3.89Å; Y266-P284 HydrophobicContact CD2-CG 4.35Å; Y266-P284 HydrophobicContact CE1-CG 4.03Å; Y266-P284 HydrophobicContact CE2-CG 4.44Å; Y266-P284 HydrophobicContact CG-CB 4.42Å; Y266-P284 HydrophobicContact CG-CG 4.09Å |
| 267 | K | 63.1 | Low | 67 | Low | 154 Ų | 154 | 82.5 Ų | 82.5 | 67% | 0.67 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -26.8 | 179.7 | -169.1 | 172.7 | -177.6 | 173.1 | 0 | 114 | D264 | D264-K267 WeakPolarHBondContact O-CB 3.22Å; D264-K267 PolarHBondContact O-N 3.42Å |
| 268 | N | 69.9 | Low | 67.6 | Low | 152 Ų | 152 | 81.3 Ų | 81.3 | 81% | 0.813 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | 14.7 | 176.7 | -59.9 | -30.8 | 0 | 0 | 0 | 113.1 | Y266 | Y266-N268 PolarHBondContact O-N 3.08Å; Y266-N268 VanDerWaalsContact O-N 3.09Å |
| 269 | Y | 77.5 | Confident | 67.6 | Low | 57 Ų | 57 | 80 Ų | 80 | 22% | 0.224 | 42% | 0.417 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.6 | -38.9 | 179.8 | -178.5 | -96.3 | 0 | 0 | 0 | 111.6 | Y266 P284 C286 K296 | Y266-Y269 HydrophobicContact CD1-CD2 4.12Å; Y266-Y269 HydrophobicContact CD1-CG 4.32Å; Y266-Y269 WeakPolarHBondContact O-CB 3.3Å; Y266-Y269 PolarHBondContact O-N 2.74Å; Y269-P284 HydrophobicContact CD1-CB 4.08Å; Y269-P284 HydrophobicContact CD1-CG 3.91Å; Y269-P284 HydrophobicContact CD2-CG 4.23Å; Y269-P284 HydrophobicContact CE1-CB 4.25Å; Y269-P284 HydrophobicContact CE1-CG 3.87Å; Y269-P284 HydrophobicContact CE2-CG 4.15Å; Y269-P284 HydrophobicContact CG-CG 4.11Å; Y269-C286 VanDerWaalsContact CD1-SG 3.52Å; Y269-K296 HydrophobicContact CE1-CG 4.09Å; Y269-K296 HydrophobicContact CE2-CD 4.43Å; Y269-K296 VanDerWaalsContact CE2-CE 3.43Å; Y269-K296 HydrophobicContact CE2-CG 4.43Å; Y269-K296 WeakPolarHBondContact O-CB 3.33Å; Y269-K296 WeakPolarHBondContact O-CG 3.44Å |
| 270 | C | 82.6 | Confident | 67.6 | Low | 13 Ų | 13 | 82.7 Ų | 82.7 | 9% | 0.088 | 44% | 0.435 | C | S | . | . | trans | -92.5 | 120.9 | 173.7 | -50.1 | 0 | 0 | 0 | 0 | 109.5 | G273 C275 C286 | C270-G273 WeakPolarHBondContact CB-O 3.29Å; C270-C275 VanDerWaalsContact SG-CA 3.57Å; C270-C275 VanDerWaalsContact SG-CB 3.58Å; C270-C286 WeakPolarHBondContact CA-SG 3.42Å; C270-C286 HydrophobicContact CB-CB 3.73Å; C270-C286 WeakPolarHBondContact CB-SG 3.14Å; C270-C286 WeakPolarHBondContact SG-CA 3.47Å; C270-C286 WeakPolarHBondContact SG-CB 3.44Å; C270-C286 CovalentContact SG-SG 2.02Å; C270-C286 PolarHBondContact SG-SG 3.3Å | ||
| 271 | A | 82.3 | Confident | 67.4 | Low | 59 Ų | 59 | 84 Ų | 84 | 49% | 0.488 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -74.5 | -51.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K296 D298 | A271-K296 PolarHBondContact N-O 3.01Å; A271-D298 HydrophobicContact CB-CB 4.31Å |
| 272 | H | 81.6 | Confident | 67.3 | Low | 88 Ų | 88 | 85 Ų | 85 | 41% | 0.407 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -129.8 | 59.2 | 179.9 | -62.6 | -73.3 | 0 | 0 | 0 | 111.4 | H289 Y292 C297 | H272-H289 PolarHBondContact O-N 2.97Å; H272-H289 PolarHBondContact O-ND1 2.04Å; H272-Y292 HydrophobicContact CB-CD1 3.63Å; H272-Y292 HydrophobicContact CB-CD2 3.87Å; H272-Y292 HydrophobicContact CB-CE1 3.89Å; H272-Y292 HydrophobicContact CB-CE2 4.13Å; H272-Y292 HydrophobicContact CB-CG 3.61Å; H272-Y292 AromaticContact CD2-CD1 3.53Å; H272-Y292 AromaticContact CD2-CE1 3.15Å; H272-Y292 WeakPolarHBondContact CD2-CE1 3.49Å; H272-Y292 AromaticContact CD2-CZ 3.78Å; H272-Y292 AromaticContact CG-CD1 3.73Å; H272-Y292 AromaticContact CG-CE1 3.48Å; H272-Y292 VanDerWaalsContact CG-CE1 3.48Å; H272-Y292 AromaticContact CG-CZ 3.71Å; H272-Y292 AromaticContact NE2-CE1 3.7Å; H272-C297 WeakPolarHBondContact CB-O 3.39Å; H272-C297 PolarHBondContact N-O 3.48Å; H272-C297 WeakPolarHBondContact O-CB 3.25Å |
| 273 | G | 79.8 | Confident | 67.1 | Low | 16 Ų | 16 | 90.3 Ų | 90.3 | 17% | 0.165 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167.6 | 162.2 | -175 | 0 | 0 | 0 | 0 | 0 | 113.1 | C270 S287 H289 | C270-G273 WeakPolarHBondContact CB-O 3.29Å; G273-S287 CarbonylContact C-O 3.4Å; G273-S287 WeakPolarHBondContact CA-O 3.04Å; G273-H289 WeakPolarHBondContact CA-ND1 3.4Å |
| 274 | D | 82.2 | Confident | 67.2 | Low | 97 Ų | 97 | 88.3 Ų | 88.3 | 52% | 0.519 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 129.1 | 172.5 | -64.2 | -49.9 | 0 | 0 | 0 | 109.5 | Y259 Q276 S287 H289 | Y259-D274 PolarHBondContact OH-O 2.99Å; D274-Q276 PolarHBondContact O-N 2.95Å; D274-S287 PolarHBondContact N-O 2.04Å; D274-S287 PolarHBondContact O-N 2.73Å; D274-H289 IonicContact OD2-CE1 3.95Å |
| 275 | C | 75.4 | Confident | 67.8 | Low | 22 Ų | 22 | 84.2 Ų | 84.2 | 15% | 0.149 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 110.5 | -177.4 | -175.2 | 0 | 0 | 0 | 0 | 110.9 | Y259 C262 C270 | Y259-C275 WeakPolarHBondContact CE1-O 3.22Å; Y259-C275 PolarHBondContact OH-O 2.78Å; C262-C275 HydrophobicContact CB-CB 3.81Å; C262-C275 WeakPolarHBondContact CB-SG 3.15Å; C262-C275 WeakPolarHBondContact SG-CB 3.28Å; C262-C275 PolarHBondContact SG-O 2.89Å; C262-C275 CovalentContact SG-SG 2.03Å; C262-C275 PolarHBondContact SG-SG 3.4Å; C270-C275 VanDerWaalsContact SG-CA 3.57Å; C270-C275 VanDerWaalsContact SG-CB 3.58Å |
| 276 | Q | 71 | Confident | 68.8 | Low | 74 Ų | 74 | 78.5 Ų | 78.5 | 35% | 0.346 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 135.6 | 172.3 | -159 | 154.3 | 17.6 | 0 | 0 | 109.5 | Y259 D274 P278 S285 | Y259-Q276 HydrophobicContact CD2-CG 3.79Å; Y259-Q276 HydrophobicContact CE1-CB 4.24Å; Y259-Q276 HydrophobicContact CE1-CG 4.37Å; Y259-Q276 HydrophobicContact CE2-CB 3.63Å; Y259-Q276 HydrophobicContact CE2-CG 3.22Å; Y259-Q276 VanDerWaalsContact CZ-CB 3.42Å; Y259-Q276 VanDerWaalsContact OH-CA 3.24Å; Y259-Q276 WeakPolarHBondContact OH-CA 3.44Å; Y259-Q276 WeakPolarHBondContact OH-CB 2.94Å; Y259-Q276 PolarHBondContact OH-N 2.89Å; D274-Q276 PolarHBondContact O-N 2.95Å; Q276-P278 HydrophobicContact CG-CG 4.49Å; Q276-P278 VanDerWaalsContact O-CD 3.3Å; Q276-P278 WeakPolarHBondContact O-CD 3.33Å; Q276-S285 CarbonylContact C-O 3.53Å; Q276-S285 WeakPolarHBondContact CA-O 3.06Å; Q276-S285 PolarHBondContact N-O 2.9Å; Q276-S285 PolarHBondContact O-N 3.34Å |
| 277 | F | 64.6 | Low | 69.5 | Low | 55 Ų | 55 | 77.5 Ų | 77.5 | 24% | 0.241 | 43% | 0.425 | C | S | . | . | trans | -110.2 | 89.3 | 169.4 | -157.1 | -90.6 | 0 | 0 | 0 | 108.7 | N279 P284 | F277-N279 PolarHBondContact O-N 2.79Å; F277-P284 HydrophobicContact CD2-CB 4.34Å | ||
| 278 | P | 58 | Low | 70.5 | Confident | 44 Ų | 44 | 72.1 Ų | 72.1 | 29% | 0.286 | 41% | 0.406 | S | S | . | . | trans | -69.6 | 123.9 | 177.2 | -10.7 | 26.5 | 0 | 0 | 0 | 108.6 | Q276 M280 L281 | Q276-P278 HydrophobicContact CG-CG 4.49Å; Q276-P278 VanDerWaalsContact O-CD 3.3Å; Q276-P278 WeakPolarHBondContact O-CD 3.33Å; P278-M280 PolarHBondContact O-N 3.23Å; P278-L281 PolarHBondContact O-N 2.99Å; P278-L281 VanDerWaalsContact O-N 3.08Å; P278-L281 VanDerWaalsContact O-O 3.14Å | ||
| 279 | N | 54.1 | Low | 71.2 | Confident | 123 Ų | 123 | 69.6 Ų | 69.6 | 66% | 0.658 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -6.5 | -177.4 | -78.2 | -24 | 0 | 0 | 0 | 116 | I260 F277 | I260-N279 WeakPolarHBondContact CD1-OD1 3.49Å; F277-N279 PolarHBondContact O-N 2.79Å |
| 280 | M | 47.4 | Very low | 71.2 | Confident | 157 Ų | 157 | 73 Ų | 73 | 77% | 0.773 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | -12 | -176.8 | -72.7 | -77.4 | 160.6 | 0 | 0 | 114 | I233 P278 | I233-M280 HydrophobicContact CD1-CE 4.5Å; P278-M280 PolarHBondContact O-N 3.23Å |
| 281 | L | 51.6 | Low | 70.6 | Confident | 109 Ų | 109 | 74 Ų | 74 | 57% | 0.571 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -121.1 | 120.3 | 171.8 | -73.7 | 96.1 | 0 | 0 | 0 | 107.2 | P278 Q283 | P278-L281 PolarHBondContact O-N 2.99Å; P278-L281 VanDerWaalsContact O-N 3.08Å; P278-L281 VanDerWaalsContact O-O 3.14Å; L281-Q283 PolarHBondContact O-N 2.82Å |
| 282 | S | 54.5 | Low | 70.4 | Confident | 127 Ų | 127 | 73.8 Ų | 73.8 | 89% | 0.888 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -67.5 | 35.2 | 171.1 | 46 | 0 | 0 | 0 | 0 | 112.6 | ||
| 283 | Q | 56.8 | Low | 69.9 | Low | 131 Ų | 131 | 74.3 Ų | 74.3 | 61% | 0.612 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -145.5 | 130.5 | -176 | -156.3 | 166.2 | 89.2 | 0 | 0 | 109.8 | L281 | L281-Q283 PolarHBondContact O-N 2.82Š|
| 284 | P | 68.3 | Low | 69.6 | Low | 11 Ų | 11 | 74.9 Ų | 74.9 | 7% | 0.071 | 43% | 0.432 | C | S | . | . | trans | -66 | 138.3 | -179.5 | 27.2 | -34.4 | 0 | 0 | 0 | 111 | Y266 Y269 F277 | Y266-P284 HydrophobicContact CD1-CG 3.89Å; Y266-P284 HydrophobicContact CD2-CG 4.35Å; Y266-P284 HydrophobicContact CE1-CG 4.03Å; Y266-P284 HydrophobicContact CE2-CG 4.44Å; Y266-P284 HydrophobicContact CG-CB 4.42Å; Y266-P284 HydrophobicContact CG-CG 4.09Å; Y269-P284 HydrophobicContact CD1-CB 4.08Å; Y269-P284 HydrophobicContact CD1-CG 3.91Å; Y269-P284 HydrophobicContact CD2-CG 4.23Å; Y269-P284 HydrophobicContact CE1-CB 4.25Å; Y269-P284 HydrophobicContact CE1-CG 3.87Å; Y269-P284 HydrophobicContact CE2-CG 4.15Å; Y269-P284 HydrophobicContact CG-CG 4.11Å; F277-P284 HydrophobicContact CD2-CB 4.34Å | ||
| 285 | S | 75.3 | Confident | 69.4 | Low | 59 Ų | 59 | 75.1 Ų | 75.1 | 41% | 0.413 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 139.9 | 177.5 | -172.9 | 0 | 0 | 0 | 0 | 110 | Q276 | Q276-S285 CarbonylContact C-O 3.53Å; Q276-S285 WeakPolarHBondContact CA-O 3.06Å; Q276-S285 PolarHBondContact N-O 2.9Å; Q276-S285 PolarHBondContact O-N 3.34Å |
| 286 | C | 83.3 | Confident | 69.7 | Low | 18 Ų | 18 | 78.6 Ų | 78.6 | 12% | 0.122 | 45% | 0.451 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 126.6 | -178.9 | -61.8 | 0 | 0 | 0 | 0 | 111.2 | Y269 C270 C297 | Y269-C286 VanDerWaalsContact CD1-SG 3.52Å; C270-C286 WeakPolarHBondContact CA-SG 3.42Å; C270-C286 HydrophobicContact CB-CB 3.73Å; C270-C286 WeakPolarHBondContact CB-SG 3.14Å; C270-C286 WeakPolarHBondContact SG-CA 3.47Å; C270-C286 WeakPolarHBondContact SG-CB 3.44Å; C270-C286 CovalentContact SG-SG 2.02Å; C270-C286 PolarHBondContact SG-SG 3.3Å; C286-C297 WeakPolarHBondContact CB-SG 3.18Å |
| 287 | S | 81.3 | Confident | 70.3 | Confident | 62 Ų | 62 | 75 Ų | 75 | 43% | 0.434 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 110.9 | 165.2 | -172.8 | 0 | 0 | 0 | 0 | 108.8 | G273 D274 | G273-S287 CarbonylContact C-O 3.4Å; G273-S287 WeakPolarHBondContact CA-O 3.04Å; D274-S287 PolarHBondContact N-O 2.04Å; D274-S287 PolarHBondContact O-N 2.73Å |
| 288 | C | 83.9 | Confident | 71.2 | Confident | 40 Ų | 40 | 77.1 Ų | 77.1 | 27% | 0.27 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 142.2 | -172.4 | -54.1 | 0 | 0 | 0 | 0 | 113.3 | Y292 C297 | C288-Y292 WeakPolarHBondContact CB-O 3.04Å; C288-C297 WeakPolarHBondContact CA-SG 3.34Å; C288-C297 HydrophobicContact CB-CB 3.61Å; C288-C297 WeakPolarHBondContact CB-SG 3.39Å; C288-C297 PolarHBondContact N-SG 2.75Å; C288-C297 VanDerWaalsContact N-SG 3.44Å; C288-C297 WeakPolarHBondContact SG-CA 3.19Å; C288-C297 WeakPolarHBondContact SG-CB 3.46Å; C288-C297 CovalentContact SG-SG 2.02Å; C288-C297 PolarHBondContact SG-SG 3.08Å |
| 289 | H | 83.9 | Confident | 72.1 | Confident | 100 Ų | 100 | 79.6 Ų | 79.6 | 46% | 0.463 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 153.4 | 168.3 | -76 | 71.9 | 0 | 0 | 0 | 110.5 | H272 G273 D274 G291 Y292 | H272-H289 PolarHBondContact O-N 2.97Å; H272-H289 PolarHBondContact O-ND1 2.04Å; G273-H289 WeakPolarHBondContact CA-ND1 3.4Å; D274-H289 IonicContact OD2-CE1 3.95Å; H289-G291 PolarHBondContact O-N 2.89Å; H289-Y292 HydrophobicContact CB-CD2 4.44Å; H289-Y292 WeakPolarHBondContact O-CB 3.03Å; H289-Y292 PolarHBondContact O-N 2.81Å |
| 290 | S | 77.1 | Confident | 73 | Confident | 127 Ų | 127 | 79 Ų | 79 | 89% | 0.888 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | 126.5 | -177.7 | -53 | 0 | 0 | 0 | 0 | 112.6 | ||
| 291 | G | 70.1 | Confident | 73.7 | Confident | 35 Ų | 35 | 76.6 Ų | 76.6 | 36% | 0.361 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | 6.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115 | H289 K300 E301 | H289-G291 PolarHBondContact O-N 2.89Å; G291-K300 CarbonylContact O-C 3.13Å; G291-K300 WeakPolarHBondContact O-CA 3.47Å; G291-E301 PolarHBondContact O-N 3.28Å |
| 292 | Y | 78.6 | Confident | 74.1 | Confident | 54 Ų | 54 | 79.9 Ų | 79.9 | 21% | 0.212 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 140.5 | 170.1 | -66.6 | -93.3 | 0 | 0 | 0 | 110.7 | H272 C288 H289 I299 K300 | H272-Y292 HydrophobicContact CB-CD1 3.63Å; H272-Y292 HydrophobicContact CB-CD2 3.87Å; H272-Y292 HydrophobicContact CB-CE1 3.89Å; H272-Y292 HydrophobicContact CB-CE2 4.13Å; H272-Y292 HydrophobicContact CB-CG 3.61Å; H272-Y292 AromaticContact CD2-CD1 3.53Å; H272-Y292 AromaticContact CD2-CE1 3.15Å; H272-Y292 WeakPolarHBondContact CD2-CE1 3.49Å; H272-Y292 AromaticContact CD2-CZ 3.78Å; H272-Y292 AromaticContact CG-CD1 3.73Å; H272-Y292 AromaticContact CG-CE1 3.48Å; H272-Y292 VanDerWaalsContact CG-CE1 3.48Å; H272-Y292 AromaticContact CG-CZ 3.71Å; H272-Y292 AromaticContact NE2-CE1 3.7Å; C288-Y292 WeakPolarHBondContact CB-O 3.04Å; H289-Y292 HydrophobicContact CB-CD2 4.44Å; H289-Y292 WeakPolarHBondContact O-CB 3.03Å; H289-Y292 PolarHBondContact O-N 2.81Å; Y292-I299 CarbonylContact C-O 3.53Å; Y292-I299 VanDerWaalsContact CA-O 3.25Å; Y292-I299 WeakPolarHBondContact CA-O 3.29Å; Y292-K300 HydrophobicContact CD1-CB 4.17Å; Y292-K300 HydrophobicContact CE1-CB 3.94Å; Y292-K300 HydrophobicContact CE1-CD 4.36Å; Y292-K300 HydrophobicContact CE1-CG 4.14Å |
| 293 | M | 69.9 | Low | 73.8 | Confident | 99 Ų | 99 | 80.8 Ų | 80.8 | 49% | 0.488 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 170.3 | -174.9 | -69.8 | -95.1 | 88.8 | 0 | 0 | 109.9 | C297 I299 | M293-C297 WeakPolarHBondContact O-CA 3.41Å; M293-I299 PolarHBondContact N-O 2.82Å; M293-I299 VanDerWaalsContact O-CB 3.29Å; M293-I299 WeakPolarHBondContact O-CB 3.4Å; M293-I299 PolarHBondContact O-N 3.49Å; M293-I299 VanDerWaalsContact O-N 3.1Å |
| 294 | G | 75.3 | Confident | 73.4 | Confident | 29 Ų | 29 | 80.1 Ų | 80.1 | 30% | 0.299 | 44% | 0.442 | S | S | . | . | S | Bend | trans | 98.3 | 167.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | K296 C297 | G294-K296 PolarHBondContact O-N 3.28Å; G294-K296 VanDerWaalsContact O-N 3.14Å; G294-C297 PolarHBondContact O-N 2.66Å; G294-C297 VanDerWaalsContact O-N 3.15Å |
| 295 | P | 77.1 | Confident | 72.3 | Confident | 102 Ų | 102 | 86.7 Ų | 86.7 | 66% | 0.662 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -19.7 | -172.9 | 26.5 | -34.7 | 0 | 0 | 0 | 113.6 | ||
| 296 | K | 81.1 | Confident | 70.7 | Confident | 94 Ų | 94 | 93.7 Ų | 93.7 | 41% | 0.409 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | 8.6 | 176.6 | -66.8 | -174.5 | 177.5 | -179.1 | 0 | 113.6 | Y269 A271 G294 D298 | Y269-K296 HydrophobicContact CE1-CG 4.09Å; Y269-K296 HydrophobicContact CE2-CD 4.43Å; Y269-K296 VanDerWaalsContact CE2-CE 3.43Å; Y269-K296 HydrophobicContact CE2-CG 4.43Å; Y269-K296 WeakPolarHBondContact O-CB 3.33Å; Y269-K296 WeakPolarHBondContact O-CG 3.44Å; A271-K296 PolarHBondContact N-O 3.01Å; G294-K296 PolarHBondContact O-N 3.28Å; G294-K296 VanDerWaalsContact O-N 3.14Å; K296-D298 PolarHBondContact O-N 3.42Å |
| 297 | C | 84.2 | Confident | 68.8 | Low | 0 Ų | 0 | 97.1 Ų | 97.1 | 0% | 0 | 52% | 0.515 | C | S | . | . | S | Bend | trans | 54.4 | 38.1 | -175.5 | -49 | 0 | 0 | 0 | 0 | 113.4 | H272 C286 C288 M293 G294 | H272-C297 WeakPolarHBondContact CB-O 3.39Å; H272-C297 PolarHBondContact N-O 3.48Å; H272-C297 WeakPolarHBondContact O-CB 3.25Å; C286-C297 WeakPolarHBondContact CB-SG 3.18Å; C288-C297 WeakPolarHBondContact CA-SG 3.34Å; C288-C297 HydrophobicContact CB-CB 3.61Å; C288-C297 WeakPolarHBondContact CB-SG 3.39Å; C288-C297 PolarHBondContact N-SG 2.75Å; C288-C297 VanDerWaalsContact N-SG 3.44Å; C288-C297 WeakPolarHBondContact SG-CA 3.19Å; C288-C297 WeakPolarHBondContact SG-CB 3.46Å; C288-C297 CovalentContact SG-SG 2.02Å; C288-C297 PolarHBondContact SG-SG 3.08Å; M293-C297 WeakPolarHBondContact O-CA 3.41Å; G294-C297 PolarHBondContact O-N 2.66Å; G294-C297 VanDerWaalsContact O-N 3.15Å |
| 298 | D | 83.2 | Confident | 66.9 | Low | 98 Ų | 98 | 99.8 Ų | 99.8 | 52% | 0.524 | 53% | 0.528 | S | S | . | . | trans | -97.7 | -12.9 | -179.1 | 58.7 | -33.2 | 0 | 0 | 0 | 112.8 | A271 K296 | A271-D298 HydrophobicContact CB-CB 4.31Å; K296-D298 PolarHBondContact O-N 3.42Å | ||
| 299 | I | 77.7 | Confident | 64.9 | Low | 97 Ų | 97 | 100.8 Ų | 100.8 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 113.3 | -179.2 | -50.9 | 172.8 | 0 | 0 | 0 | 108.7 | Y292 M293 | Y292-I299 CarbonylContact C-O 3.53Å; Y292-I299 VanDerWaalsContact CA-O 3.25Å; Y292-I299 WeakPolarHBondContact CA-O 3.29Å; M293-I299 PolarHBondContact N-O 2.82Å; M293-I299 VanDerWaalsContact O-CB 3.29Å; M293-I299 WeakPolarHBondContact O-CB 3.4Å; M293-I299 PolarHBondContact O-N 3.49Å; M293-I299 VanDerWaalsContact O-N 3.1Å |
| 300 | K | 73 | Confident | 63.3 | Low | 109 Ų | 109 | 98.3 Ų | 98.3 | 47% | 0.474 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 124.9 | 171.4 | -168.6 | 175.6 | -178.5 | 175 | 0 | 109.9 | G291 Y292 Y302 | G291-K300 CarbonylContact O-C 3.13Å; G291-K300 WeakPolarHBondContact O-CA 3.47Å; Y292-K300 HydrophobicContact CD1-CB 4.17Å; Y292-K300 HydrophobicContact CE1-CB 3.94Å; Y292-K300 HydrophobicContact CE1-CD 4.36Å; Y292-K300 HydrophobicContact CE1-CG 4.14Å; K300-Y302 PolarHBondContact O-N 3.45Å |
| 301 | E | 61.2 | Low | 62.3 | Low | 108 Ų | 108 | 97.1 Ų | 97.1 | 51% | 0.505 | 53% | 0.527 | S | S | . | . | trans | -73.4 | 90.7 | 175.6 | -156 | 165.3 | -145.2 | 0 | 0 | 108.6 | G291 N303 | G291-E301 PolarHBondContact O-N 3.28Å; E301-N303 PolarHBondContact O-N 3.2Å | ||
| 302 | Y | 59.4 | Low | 61.8 | Low | 178 Ų | 178 | 97.6 Ų | 97.6 | 70% | 0.698 | 53% | 0.532 | S | S | * | . | trans | -68 | 111.9 | 151.7 | -58.1 | -82 | 0 | 0 | 0 | 104.2 | K300 V304 | K300-Y302 PolarHBondContact O-N 3.45Å; Y302-V304 PolarHBondContact O-N 2.94Å | ||
| 303 | N | 48.7 | Very low | 60.8 | Low | 146 Ų | 146 | 101.8 Ų | 101.8 | 78% | 0.781 | 55% | 0.552 | S | S | * | * | trans | -57.8 | 74.2 | 167.2 | -78.1 | -32.7 | 0 | 0 | 0 | 109.4 | E301 L305 | E301-N303 PolarHBondContact O-N 3.2Å; N303-L305 VanDerWaalsContact C-N 3.35Å; N303-L305 PolarHBondContact O-N 2.9Å | ||
| 304 | V | 49.5 | Very low | 60.4 | Low | 117 Ų | 117 | 101.3 Ų | 101.3 | 71% | 0.709 | 55% | 0.551 | S | S | * | * | trans | -85.8 | 95.2 | 162 | 172.9 | 0 | 0 | 0 | 0 | 103.5 | Y302 Y306 | Y302-V304 PolarHBondContact O-N 2.94Å; V304-Y306 VanDerWaalsContact C-N 3.26Å; V304-Y306 PolarHBondContact O-N 3.05Å | ||
| 305 | L | 44.6 | Very low | 60.2 | Low | 149 Ų | 149 | 105.9 Ų | 105.9 | 78% | 0.78 | 56% | 0.564 | S | S | * | * | trans | -38.6 | 84.9 | 170 | -153.7 | 81.2 | 0 | 0 | 0 | 111 | N303 V307 | N303-L305 VanDerWaalsContact C-N 3.35Å; N303-L305 PolarHBondContact O-N 2.9Å; L305-V307 HydrophobicContact CD2-CG2 3.62Å; L305-V307 HydrophobicContact CG-CG2 3.67Å; L305-V307 PolarHBondContact O-N 3.21Å | ||
| 306 | Y | 40.6 | Very low | 60.1 | Low | 206 Ų | 206 | 109.4 Ų | 109.4 | 81% | 0.808 | 57% | 0.565 | S | S | * | * | trans | -81.8 | 77.7 | 170.1 | -141.8 | -88.2 | 0 | 0 | 0 | 106.5 | V304 V308 | V304-Y306 VanDerWaalsContact C-N 3.26Å; V304-Y306 PolarHBondContact O-N 3.05Å; Y306-V308 VanDerWaalsContact C-N 3.3Å; Y306-V308 HydrophobicContact CD1-CG2 4.16Å; Y306-V308 PolarHBondContact O-N 3Å | ||
| 307 | V | 44.3 | Very low | 60 | Low | 90 Ų | 90 | 109.6 Ų | 109.6 | 55% | 0.545 | 57% | 0.574 | S | S | . | * | trans | -64 | 96.8 | 170.5 | -175.4 | 0 | 0 | 0 | 0 | 106.6 | L305 P309 | L305-V307 HydrophobicContact CD2-CG2 3.62Å; L305-V307 HydrophobicContact CG-CG2 3.67Å; L305-V307 PolarHBondContact O-N 3.21Å; V307-P309 VanDerWaalsContact O-CD 3.23Å; V307-P309 WeakPolarHBondContact O-CD 3.13Å | ||
| 308 | V | 41.6 | Very low | 59.8 | Low | 117 Ų | 117 | 114.5 Ų | 114.5 | 71% | 0.709 | 60% | 0.6 | S | S | * | * | trans | -72.3 | 109.6 | 160.5 | 179.6 | 0 | 0 | 0 | 0 | 105.7 | Y306 G310 | Y306-V308 VanDerWaalsContact C-N 3.3Å; Y306-V308 HydrophobicContact CD1-CG2 4.16Å; Y306-V308 PolarHBondContact O-N 3Å; V308-G310 PolarHBondContact O-N 3.02Å | ||
| 309 | P | 42 | Very low | 59.9 | Low | 61 Ų | 61 | 114.1 Ų | 114.1 | 40% | 0.396 | 60% | 0.596 | S | S | . | * | trans | -80.5 | 115.9 | -178 | 30.5 | -26 | 0 | 0 | 0 | 108.7 | V307 K313 L314 | V307-P309 VanDerWaalsContact O-CD 3.23Å; V307-P309 WeakPolarHBondContact O-CD 3.13Å; P309-K313 HydrophobicContact CB-CB 4.4Å; P309-L314 HydrophobicContact CB-CD2 4.37Å; P309-L314 HydrophobicContact CB-CG 4.47Å; P309-L314 HydrophobicContact CG-CD2 4.09Å; P309-L314 HydrophobicContact CG-CG 4.49Å | ||
| 310 | G | 50.7 | Low | 60.1 | Low | 49 Ų | 49 | 112.4 Ų | 112.4 | 51% | 0.505 | 60% | 0.597 | S | S | . | * | trans | -55.5 | 144 | 157.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | V308 G312 K313 | V308-G310 PolarHBondContact O-N 3.02Å; G310-G312 PolarHBondContact O-N 3.07Å; G310-K313 PolarHBondContact O-N 2.85Å | ||
| 311 | S | 54.8 | Low | 61 | Low | 102 Ų | 102 | 111 Ų | 111 | 71% | 0.713 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.3 | -23 | -170.1 | 49.3 | 0 | 0 | 0 | 0 | 115.7 | ||
| 312 | G | 59.5 | Low | 62.5 | Low | 45 Ų | 45 | 110.8 Ų | 110.8 | 46% | 0.464 | 60% | 0.602 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.7 | -24.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | G310 | G310-G312 PolarHBondContact O-N 3.07Š|
| 313 | K | 58 | Low | 64.1 | Low | 142 Ų | 142 | 106.5 Ų | 106.5 | 62% | 0.617 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -83.4 | -17.7 | -178.4 | -67.8 | -178.1 | 179.3 | 169.9 | 0 | 113.3 | P309 G310 H315 V317 | P309-K313 HydrophobicContact CB-CB 4.4Å; G310-K313 PolarHBondContact O-N 2.85Å; K313-H315 VanDerWaalsContact C-N 3.33Å; K313-H315 PolarHBondContact O-N 2.88Å; K313-V317 WeakPolarHBondContact O-CG2 3.4Å; K313-V317 PolarHBondContact O-N 2.9Å |
| 314 | L | 62.8 | Low | 66.2 | Low | 89 Ų | 89 | 101.3 Ų | 101.3 | 47% | 0.466 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.8 | -34.4 | 175.9 | -72.9 | 174.8 | 0 | 0 | 0 | 112.2 | P309 Y316 V317 L318 | P309-L314 HydrophobicContact CB-CD2 4.37Å; P309-L314 HydrophobicContact CB-CG 4.47Å; P309-L314 HydrophobicContact CG-CD2 4.09Å; P309-L314 HydrophobicContact CG-CG 4.49Å; L314-Y316 PolarHBondContact O-N 3.46Å; L314-V317 PolarHBondContact O-N 2.94Å; L314-L318 WeakPolarHBondContact O-CB 3.37Å; L314-L318 VanDerWaalsContact O-CG 3.27Å; L314-L318 WeakPolarHBondContact O-CG 3.34Å; L314-L318 PolarHBondContact O-N 3.5Å |
| 315 | H | 69.6 | Low | 68.3 | Low | 124 Ų | 124 | 98.4 Ų | 98.4 | 57% | 0.574 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.3 | -42.4 | 179.1 | -71.3 | -72.7 | 0 | 0 | 0 | 112.1 | K313 L318 I319 | K313-H315 VanDerWaalsContact C-N 3.33Å; K313-H315 PolarHBondContact O-N 2.88Å; H315-L318 PolarHBondContact O-N 2.87Å; H315-I319 WeakPolarHBondContact O-CB 3.14Å; H315-I319 WeakPolarHBondContact O-CD1 3.21Å; H315-I319 WeakPolarHBondContact O-CG1 3.36Å; H315-I319 PolarHBondContact O-N 3.25Å |
| 316 | Y | 75.5 | Confident | 70.8 | Confident | 177 Ų | 177 | 96.1 Ų | 96.1 | 69% | 0.694 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -67.1 | -39.5 | 177.4 | -67.6 | -75.3 | 0 | 0 | 0 | 112.7 | L314 I319 A320 | L314-Y316 PolarHBondContact O-N 3.46Å; Y316-I319 PolarHBondContact O-N 3.19Å; Y316-A320 VanDerWaalsContact O-CB 3.31Å; Y316-A320 WeakPolarHBondContact O-CB 3.1Å; Y316-A320 PolarHBondContact O-N 2.79Å |
| 317 | V | 78.9 | Confident | 73.4 | Confident | 98 Ų | 98 | 91.1 Ų | 91.1 | 59% | 0.594 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.2 | -40.6 | 175.9 | 176.4 | 0 | 0 | 0 | 0 | 111.1 | K313 L314 A320 S321 | K313-V317 WeakPolarHBondContact O-CG2 3.4Å; K313-V317 PolarHBondContact O-N 2.9Å; L314-V317 PolarHBondContact O-N 2.94Å; V317-A320 PolarHBondContact O-N 3.16Å; V317-S321 WeakPolarHBondContact O-CB 3.13Å; V317-S321 PolarHBondContact O-N 3.47Å |
| 318 | L | 81.1 | Confident | 75.9 | Confident | 103 Ų | 103 | 91.1 Ų | 91.1 | 54% | 0.539 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.1 | -44 | 175 | -74 | 171 | 0 | 0 | 0 | 111.9 | L314 H315 S321 I322 | L314-L318 WeakPolarHBondContact O-CB 3.37Å; L314-L318 VanDerWaalsContact O-CG 3.27Å; L314-L318 WeakPolarHBondContact O-CG 3.34Å; L314-L318 PolarHBondContact O-N 3.5Å; H315-L318 PolarHBondContact O-N 2.87Å; L318-S321 PolarHBondContact O-N 2.87Å; L318-I322 VanDerWaalsContact O-CG1 3.26Å; L318-I322 WeakPolarHBondContact O-CG1 3.43Å; L318-I322 PolarHBondContact O-N 3.23Å |
| 319 | I | 83.3 | Confident | 78.5 | Confident | 89 Ų | 89 | 89.8 Ų | 89.8 | 46% | 0.456 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 176.4 | -69.1 | 162.9 | 0 | 0 | 0 | 110.3 | H315 Y316 S321 I322 I323 | H315-I319 WeakPolarHBondContact O-CB 3.14Å; H315-I319 WeakPolarHBondContact O-CD1 3.21Å; H315-I319 WeakPolarHBondContact O-CG1 3.36Å; H315-I319 PolarHBondContact O-N 3.25Å; Y316-I319 PolarHBondContact O-N 3.19Å; I319-S321 VanDerWaalsContact C-N 3.31Å; I319-S321 PolarHBondContact O-N 2.9Å; I319-I322 PolarHBondContact O-N 3.4Å; I319-I323 HydrophobicContact CG2-CD1 3.7Å; I319-I323 HydrophobicContact CG2-CG1 4.41Å; I319-I323 VanDerWaalsContact O-CG1 3.28Å; I319-I323 WeakPolarHBondContact O-CG1 3.45Å; I319-I323 PolarHBondContact O-N 3.17Å |
| 320 | A | 82.4 | Confident | 81 | Confident | 61 Ų | 61 | 91.2 Ų | 91.2 | 50% | 0.504 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.7 | -40.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y316 V317 I323 G324 | Y316-A320 VanDerWaalsContact O-CB 3.31Å; Y316-A320 WeakPolarHBondContact O-CB 3.1Å; Y316-A320 PolarHBondContact O-N 2.79Å; V317-A320 PolarHBondContact O-N 3.16Å; A320-I323 PolarHBondContact O-N 2.91Å; A320-G324 PolarHBondContact O-N 3.48Å |
| 321 | S | 91.4 | Very high | 83 | Confident | 80 Ų | 80 | 93.8 Ų | 93.8 | 56% | 0.559 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.8 | -44.9 | 175.8 | -177.1 | 0 | 0 | 0 | 0 | 112.4 | V317 L318 I319 G324 A325 | V317-S321 WeakPolarHBondContact O-CB 3.13Å; V317-S321 PolarHBondContact O-N 3.47Å; L318-S321 PolarHBondContact O-N 2.87Å; I319-S321 VanDerWaalsContact C-N 3.31Å; I319-S321 PolarHBondContact O-N 2.9Å; S321-G324 PolarHBondContact O-N 2.94Å; S321-A325 PolarHBondContact O-N 2.71Å |
| 322 | I | 94.3 | Very high | 84.9 | Confident | 103 Ų | 103 | 92.1 Ų | 92.1 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -44.3 | 177.8 | -67.8 | 164.2 | 0 | 0 | 0 | 110.9 | L318 I319 A325 L326 | L318-I322 VanDerWaalsContact O-CG1 3.26Å; L318-I322 WeakPolarHBondContact O-CG1 3.43Å; L318-I322 PolarHBondContact O-N 3.23Å; I319-I322 PolarHBondContact O-N 3.4Å; I322-A325 PolarHBondContact O-N 3.46Å; I322-L326 HydrophobicContact CG2-CD1 4.07Å; I322-L326 WeakPolarHBondContact O-CG 3.29Å; I322-L326 PolarHBondContact O-N 3.32Å |
| 323 | I | 91.5 | Very high | 86.5 | Confident | 89 Ų | 89 | 93.7 Ų | 93.7 | 46% | 0.456 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.9 | -46.1 | 176.8 | -66.2 | 167.9 | 0 | 0 | 0 | 109.9 | I319 A320 A325 L326 Q327 | I319-I323 HydrophobicContact CG2-CD1 3.7Å; I319-I323 HydrophobicContact CG2-CG1 4.41Å; I319-I323 VanDerWaalsContact O-CG1 3.28Å; I319-I323 WeakPolarHBondContact O-CG1 3.45Å; I319-I323 PolarHBondContact O-N 3.17Å; A320-I323 PolarHBondContact O-N 2.91Å; I323-A325 PolarHBondContact O-N 3.18Å; I323-L326 PolarHBondContact O-N 3.11Å; I323-Q327 HydrophobicContact CG2-CG 4.39Å; I323-Q327 VanDerWaalsContact O-CG 3.31Å; I323-Q327 WeakPolarHBondContact O-CG 3.48Å; I323-Q327 PolarHBondContact O-N 3.35Å |
| 324 | G | 92.9 | Very high | 88.1 | Confident | 36 Ų | 36 | 90.6 Ų | 90.6 | 37% | 0.371 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -56.8 | -46.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A320 S321 Q327 V328 | A320-G324 PolarHBondContact O-N 3.48Å; S321-G324 PolarHBondContact O-N 2.94Å; G324-Q327 PolarHBondContact O-N 2.97Å; G324-V328 WeakPolarHBondContact O-CG2 3.47Å; G324-V328 PolarHBondContact O-N 2.91Å; G324-V328 VanDerWaalsContact O-N 3.1Å |
| 325 | A | 94.8 | Very high | 89.5 | Confident | 57 Ų | 57 | 90 Ų | 90 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63 | -43.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S321 I322 I323 Q327 V328 V329 | S321-A325 PolarHBondContact O-N 2.71Å; I322-A325 PolarHBondContact O-N 3.46Å; I323-A325 PolarHBondContact O-N 3.18Å; A325-Q327 VanDerWaalsContact C-N 3.34Å; A325-Q327 PolarHBondContact O-N 3.44Å; A325-V328 PolarHBondContact O-N 3.38Å; A325-V329 WeakPolarHBondContact O-CG2 3.27Å; A325-V329 PolarHBondContact O-N 3.43Å |
| 326 | L | 96.4 | Very high | 90.3 | Very high | 100 Ų | 100 | 88.3 Ų | 88.3 | 52% | 0.524 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 176.3 | -77.4 | 170.5 | 0 | 0 | 0 | 112 | I322 I323 V329 I330 | I322-L326 HydrophobicContact CG2-CD1 4.07Å; I322-L326 WeakPolarHBondContact O-CG 3.29Å; I322-L326 PolarHBondContact O-N 3.32Å; I323-L326 PolarHBondContact O-N 3.11Å; L326-V329 PolarHBondContact O-N 2.8Å; L326-I330 VanDerWaalsContact O-CG1 3.3Å; L326-I330 WeakPolarHBondContact O-CG1 3.27Å; L326-I330 PolarHBondContact O-N 3.42Å |
| 327 | Q | 95.8 | Very high | 90.7 | Very high | 102 Ų | 102 | 83.3 Ų | 83.3 | 48% | 0.477 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.9 | -42.7 | 177.9 | -68.1 | -60.2 | -13.2 | 0 | 0 | 112 | I323 G324 A325 V329 I330 I331 | I323-Q327 HydrophobicContact CG2-CG 4.39Å; I323-Q327 VanDerWaalsContact O-CG 3.31Å; I323-Q327 WeakPolarHBondContact O-CG 3.48Å; I323-Q327 PolarHBondContact O-N 3.35Å; G324-Q327 PolarHBondContact O-N 2.97Å; A325-Q327 VanDerWaalsContact C-N 3.34Å; A325-Q327 PolarHBondContact O-N 3.44Å; Q327-V329 VanDerWaalsContact C-N 3.33Å; Q327-V329 PolarHBondContact O-N 2.96Å; Q327-I330 PolarHBondContact O-N 3.37Å; Q327-I331 VanDerWaalsContact O-CG1 3.26Å; Q327-I331 WeakPolarHBondContact O-CG1 3.05Å; Q327-I331 PolarHBondContact O-N 3.43Å |
| 328 | V | 96.2 | Very high | 91 | Very high | 90 Ų | 90 | 83.5 Ų | 83.5 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.8 | -41.6 | 176.1 | 174.2 | 0 | 0 | 0 | 0 | 111.2 | G324 A325 I331 C332 | G324-V328 WeakPolarHBondContact O-CG2 3.47Å; G324-V328 PolarHBondContact O-N 2.91Å; G324-V328 VanDerWaalsContact O-N 3.1Å; A325-V328 PolarHBondContact O-N 3.38Å; V328-I331 PolarHBondContact O-N 3.41Å; V328-C332 WeakPolarHBondContact O-CB 3.34Å; V328-C332 PolarHBondContact O-N 3.42Å; V328-C332 PolarHBondContact O-SG 3.5Å |
| 329 | V | 95.8 | Very high | 90.9 | Very high | 89 Ų | 89 | 82.3 Ų | 82.3 | 54% | 0.539 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.5 | -45 | 176.7 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | A325 L326 Q327 I331 C332 V333 | A325-V329 WeakPolarHBondContact O-CG2 3.27Å; A325-V329 PolarHBondContact O-N 3.43Å; L326-V329 PolarHBondContact O-N 2.8Å; Q327-V329 VanDerWaalsContact C-N 3.33Å; Q327-V329 PolarHBondContact O-N 2.96Å; V329-I331 PolarHBondContact O-N 3.3Å; V329-C332 WeakPolarHBondContact O-CB 3.38Å; V329-C332 PolarHBondContact O-N 2.92Å; V329-V333 WeakPolarHBondContact O-CG2 3.24Å; V329-V333 PolarHBondContact O-N 3.35Å |
| 330 | I | 94.8 | Very high | 90.3 | Very high | 90 Ų | 90 | 86.6 Ų | 86.6 | 46% | 0.462 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -46.4 | 178.3 | -67.8 | 165.1 | 0 | 0 | 0 | 110.6 | L326 Q327 C332 V333 V334 | L326-I330 VanDerWaalsContact O-CG1 3.3Å; L326-I330 WeakPolarHBondContact O-CG1 3.27Å; L326-I330 PolarHBondContact O-N 3.42Å; Q327-I330 PolarHBondContact O-N 3.37Å; I330-C332 VanDerWaalsContact C-N 3.33Å; I330-C332 PolarHBondContact O-N 2.86Å; I330-V333 PolarHBondContact O-N 3.28Å; I330-V334 WeakPolarHBondContact O-CG2 3.32Å; I330-V334 PolarHBondContact O-N 3.48Å |
| 331 | I | 94 | Very high | 89.4 | Confident | 103 Ų | 103 | 91.8 Ų | 91.8 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.2 | -45.7 | 177.3 | -67.7 | 166.3 | 0 | 0 | 0 | 110.3 | Q327 V328 V329 V333 V334 V335 | Q327-I331 VanDerWaalsContact O-CG1 3.26Å; Q327-I331 WeakPolarHBondContact O-CG1 3.05Å; Q327-I331 PolarHBondContact O-N 3.43Å; V328-I331 PolarHBondContact O-N 3.41Å; V329-I331 PolarHBondContact O-N 3.3Å; I331-V333 PolarHBondContact O-N 3.19Å; I331-V334 PolarHBondContact O-N 2.05Å; I331-V335 HydrophobicContact CG2-CG2 4.41Å; I331-V335 WeakPolarHBondContact O-CG2 3.35Å; I331-V335 PolarHBondContact O-N 2.77Å |
| 332 | C | 93.5 | Very high | 87.7 | Confident | 68 Ų | 68 | 91.8 Ų | 91.8 | 46% | 0.459 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.5 | -43 | 176.3 | -76 | 0 | 0 | 0 | 0 | 112.4 | V328 V329 I330 V335 L336 | V328-C332 WeakPolarHBondContact O-CB 3.34Å; V328-C332 PolarHBondContact O-N 3.42Å; V328-C332 PolarHBondContact O-SG 3.5Å; V329-C332 WeakPolarHBondContact O-CB 3.38Å; V329-C332 PolarHBondContact O-N 2.92Å; I330-C332 VanDerWaalsContact C-N 3.33Å; I330-C332 PolarHBondContact O-N 2.86Å; C332-V335 PolarHBondContact O-N 2.73Å; C332-L336 WeakPolarHBondContact O-CB 3.41Å; C332-L336 VanDerWaalsContact O-CG 3.23Å; C332-L336 WeakPolarHBondContact O-CG 3.35Å; C332-L336 PolarHBondContact O-N 2.84Å |
| 333 | V | 93.7 | Very high | 85.9 | Confident | 77 Ų | 77 | 90.3 Ų | 90.3 | 47% | 0.467 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.2 | -44.5 | 176.8 | 171.9 | 0 | 0 | 0 | 0 | 111 | V329 I330 I331 V335 L336 C337 | V329-V333 WeakPolarHBondContact O-CG2 3.24Å; V329-V333 PolarHBondContact O-N 3.35Å; I330-V333 PolarHBondContact O-N 3.28Å; I331-V333 PolarHBondContact O-N 3.19Å; V333-V335 PolarHBondContact O-N 3.11Å; V333-L336 CarbonylContact O-C 3.13Å; V333-L336 PolarHBondContact O-N 3.18Å; V333-C337 WeakPolarHBondContact O-CB 3.45Å; V333-C337 PolarHBondContact O-N 2.03Å; V333-C337 PolarHBondContact O-SG 3.23Å |
| 334 | V | 91.5 | Very high | 83.9 | Confident | 77 Ų | 77 | 95.7 Ų | 95.7 | 47% | 0.467 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.4 | -46.6 | 177.7 | 172.9 | 0 | 0 | 0 | 0 | 110.9 | I330 I331 L336 C337 I338 | I330-V334 WeakPolarHBondContact O-CG2 3.32Å; I330-V334 PolarHBondContact O-N 3.48Å; I331-V334 PolarHBondContact O-N 2.05Å; V334-L336 VanDerWaalsContact C-N 3.34Å; V334-L336 PolarHBondContact O-N 3.33Å; V334-C337 PolarHBondContact O-N 3.26Å; V334-I338 HydrophobicContact CG1-CD1 3.85Å; V334-I338 VanDerWaalsContact O-CG1 3.31Å; V334-I338 WeakPolarHBondContact O-CG1 3.49Å; V334-I338 PolarHBondContact O-N 2.78Å |
| 335 | V | 91.7 | Very high | 82 | Confident | 77 Ų | 77 | 98 Ų | 98 | 47% | 0.467 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.1 | -43.1 | 176.2 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | I331 C332 V333 C337 I338 T339 | I331-V335 HydrophobicContact CG2-CG2 4.41Å; I331-V335 WeakPolarHBondContact O-CG2 3.35Å; I331-V335 PolarHBondContact O-N 2.77Å; C332-V335 PolarHBondContact O-N 2.73Å; V333-V335 PolarHBondContact O-N 3.11Å; V335-C337 PolarHBondContact O-N 3.15Å; V335-I338 PolarHBondContact O-N 3.42Å; V335-T339 HydrophobicContact CG1-CG2 4.2Å; V335-T339 WeakPolarHBondContact O-CB 3.12Å; V335-T339 VanDerWaalsContact O-CG2 3.25Å; V335-T339 WeakPolarHBondContact O-CG2 3.08Å; V335-T339 PolarHBondContact O-N 2.83Å; V335-T339 PolarHBondContact O-OG1 2.9Å |
| 336 | L | 87.3 | Confident | 80.1 | Confident | 88 Ų | 88 | 100.9 Ų | 100.9 | 46% | 0.461 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.3 | -37.3 | 175.2 | -73.8 | 173.2 | 0 | 0 | 0 | 112.3 | C332 V333 V334 T339 R340 | C332-L336 WeakPolarHBondContact O-CB 3.41Å; C332-L336 VanDerWaalsContact O-CG 3.23Å; C332-L336 WeakPolarHBondContact O-CG 3.35Å; C332-L336 PolarHBondContact O-N 2.84Å; V333-L336 CarbonylContact O-C 3.13Å; V333-L336 PolarHBondContact O-N 3.18Å; V334-L336 VanDerWaalsContact C-N 3.34Å; V334-L336 PolarHBondContact O-N 3.33Å; L336-T339 VanDerWaalsContact CA-OG1 3.31Å; L336-T339 WeakPolarHBondContact CA-OG1 3.41Å; L336-T339 PolarHBondContact O-OG1 3.13Å; L336-R340 WeakPolarHBondContact O-CB 3.47Å; L336-R340 VanDerWaalsContact O-CG 3.28Å; L336-R340 WeakPolarHBondContact O-CG 2.99Å; L336-R340 PolarHBondContact O-N 3.09Å |
| 337 | C | 83.6 | Confident | 78.1 | Confident | 72 Ų | 72 | 106.3 Ų | 106.3 | 49% | 0.486 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.1 | -41.2 | 176.3 | -74.8 | 0 | 0 | 0 | 0 | 111.9 | V333 V334 V335 K341 | V333-C337 WeakPolarHBondContact O-CB 3.45Å; V333-C337 PolarHBondContact O-N 2.03Å; V333-C337 PolarHBondContact O-SG 3.23Å; V334-C337 PolarHBondContact O-N 3.26Å; V335-C337 PolarHBondContact O-N 3.15Å; C337-K341 VanDerWaalsContact O-CB 3.3Å; C337-K341 WeakPolarHBondContact O-CB 3.15Å; C337-K341 PolarHBondContact O-N 3.39Å |
| 338 | I | 84.9 | Confident | 76.2 | Confident | 103 Ų | 103 | 106.1 Ų | 106.1 | 53% | 0.528 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67 | -50.7 | 176.1 | -65.3 | 166.4 | 0 | 0 | 0 | 109.8 | V334 V335 R340 K341 C342 | V334-I338 HydrophobicContact CG1-CD1 3.85Å; V334-I338 VanDerWaalsContact O-CG1 3.31Å; V334-I338 WeakPolarHBondContact O-CG1 3.49Å; V334-I338 PolarHBondContact O-N 2.78Å; V335-I338 PolarHBondContact O-N 3.42Å; I338-R340 VanDerWaalsContact C-N 3.28Å; I338-R340 PolarHBondContact O-N 2.68Å; I338-K341 PolarHBondContact O-N 3.32Å; I338-C342 PolarHBondContact O-N 2.92Å |
| 339 | T | 78.6 | Confident | 74.1 | Confident | 77 Ų | 77 | 106.2 Ų | 106.2 | 47% | 0.472 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69.3 | -20.2 | -179.2 | 57.4 | 0 | 0 | 0 | 0 | 113.5 | V335 L336 P343 | V335-T339 HydrophobicContact CG1-CG2 4.2Å; V335-T339 WeakPolarHBondContact O-CB 3.12Å; V335-T339 VanDerWaalsContact O-CG2 3.25Å; V335-T339 WeakPolarHBondContact O-CG2 3.08Å; V335-T339 PolarHBondContact O-N 2.83Å; V335-T339 PolarHBondContact O-OG1 2.9Å; L336-T339 VanDerWaalsContact CA-OG1 3.31Å; L336-T339 WeakPolarHBondContact CA-OG1 3.41Å; L336-T339 PolarHBondContact O-OG1 3.13Å; T339-P343 WeakPolarHBondContact O-CD 2.89Å; T339-P343 VanDerWaalsContact O-CG 3.25Å; T339-P343 WeakPolarHBondContact O-CG 3.07Å |
| 340 | R | 70.2 | Confident | 72.1 | Confident | 180 Ų | 180 | 111.5 Ų | 111.5 | 68% | 0.679 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -93.1 | -22.9 | 171.1 | -72.4 | -172.1 | 163.8 | 149.6 | -1 | 114.5 | L336 I338 P343 | L336-R340 WeakPolarHBondContact O-CB 3.47Å; L336-R340 VanDerWaalsContact O-CG 3.28Å; L336-R340 WeakPolarHBondContact O-CG 2.99Å; L336-R340 PolarHBondContact O-N 3.09Å; I338-R340 VanDerWaalsContact C-N 3.28Å; I338-R340 PolarHBondContact O-N 2.68Å; R340-P343 VanDerWaalsContact C-CD 3.43Å; R340-P343 VanDerWaalsContact O-CD 3.31Å; R340-P343 WeakPolarHBondContact O-CD 3.06Å; R340-P343 VanDerWaalsContact O-CG 3.32Å; R340-P343 WeakPolarHBondContact O-CG 3.15Å |
| 341 | K | 64.6 | Low | 70.1 | Confident | 169 Ų | 169 | 114.3 Ų | 114.3 | 74% | 0.735 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -71 | -34.4 | 169.9 | -91.5 | -172.1 | 172.1 | 178.7 | 0 | 112.4 | C337 I338 | C337-K341 VanDerWaalsContact O-CB 3.3Å; C337-K341 WeakPolarHBondContact O-CB 3.15Å; C337-K341 PolarHBondContact O-N 3.39Å; I338-K341 PolarHBondContact O-N 3.32Å |
| 342 | C | 56.3 | Low | 68.1 | Low | 80 Ų | 80 | 116.7 Ų | 116.7 | 54% | 0.541 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.7 | -38.3 | 176.1 | -71.1 | 0 | 0 | 0 | 0 | 116.1 | I338 | I338-C342 PolarHBondContact O-N 2.92Å |
| 343 | P | 56.8 | Low | 66.2 | Low | 73 Ų | 73 | 121.3 Ų | 121.3 | 47% | 0.474 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -76.2 | -24.2 | 177.8 | 24.8 | -34.3 | 0 | 0 | 0 | 113.2 | T339 R340 R347 | T339-P343 WeakPolarHBondContact O-CD 2.89Å; T339-P343 VanDerWaalsContact O-CG 3.25Å; T339-P343 WeakPolarHBondContact O-CG 3.07Å; R340-P343 VanDerWaalsContact C-CD 3.43Å; R340-P343 VanDerWaalsContact O-CD 3.31Å; R340-P343 WeakPolarHBondContact O-CD 3.06Å; R340-P343 VanDerWaalsContact O-CG 3.32Å; R340-P343 WeakPolarHBondContact O-CG 3.15Å; P343-R347 PolarHBondContact O-N 2.67Å |
| 344 | R | 48.5 | Very low | 64.2 | Low | 202 Ų | 202 | 124.5 Ų | 124.5 | 76% | 0.762 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -73.1 | -35.6 | -178.5 | -133.5 | 176.8 | -177.2 | 154.6 | 0.1 | 112.5 | R347 | R344-R347 PolarHBondContact O-N 3.14Å |
| 345 | T | 53.6 | Low | 62.3 | Low | 83 Ų | 83 | 127.8 Ų | 127.8 | 51% | 0.509 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.5 | -37.4 | 174.4 | -69.5 | 0 | 0 | 0 | 0 | 112.7 | R347 I348 N349 | T345-R347 VanDerWaalsContact C-N 3.3Å; T345-R347 PolarHBondContact O-N 2.05Å; T345-I348 PolarHBondContact O-N 3.06Å; T345-N349 PolarHBondContact O-N 2.76Å |
| 346 | N | 53.9 | Low | 60.2 | Low | 118 Ų | 118 | 129.9 Ų | 129.9 | 63% | 0.631 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -70.3 | -23.2 | 179.4 | -78.3 | -17.6 | 0 | 0 | 0 | 113.6 | ||
| 347 | R | 54.4 | Low | 58.4 | Low | 215 Ų | 215 | 134.6 Ų | 134.6 | 81% | 0.811 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -75.6 | -39.1 | 173.4 | -113.5 | -178.6 | 178.4 | 176.2 | -0.2 | 112.8 | P343 R344 T345 R350 Q351 | P343-R347 PolarHBondContact O-N 2.67Å; R344-R347 PolarHBondContact O-N 3.14Å; T345-R347 VanDerWaalsContact C-N 3.3Å; T345-R347 PolarHBondContact O-N 2.05Å; R347-R350 PolarHBondContact O-N 2Å; R347-Q351 PolarHBondContact O-N 3.3Å |
| 348 | I | 55.4 | Low | 56.5 | Low | 98 Ų | 98 | 140.8 Ų | 140.8 | 50% | 0.503 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -71 | -35.9 | -177.3 | -63.8 | 168.2 | 0 | 0 | 0 | 111.4 | T345 R350 K352 | T345-I348 PolarHBondContact O-N 3.06Å; I348-R350 PolarHBondContact O-N 3.1Å; I348-K352 PolarHBondContact O-N 3.4Å |
| 349 | N | 53.9 | Low | 54.2 | Low | 92 Ų | 92 | 141 Ų | 141 | 49% | 0.492 | 68% | 0.68 | S | S | . | * | H | α-helix | trans | -72.3 | -26.4 | 177.6 | -73 | -15.3 | 0 | 0 | 0 | 113.4 | T345 Q353 | T345-N349 PolarHBondContact O-N 2.76Å; N349-Q353 PolarHBondContact O-N 3.38Å |
| 350 | R | 53 | Low | 52.2 | Low | 199 Ų | 199 | 142.4 Ų | 142.4 | 75% | 0.751 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -74.5 | -31.1 | 177.2 | -138.7 | 175.8 | 178.8 | -170.8 | -1.7 | 112.5 | R347 I348 | R347-R350 PolarHBondContact O-N 2Å; I348-R350 PolarHBondContact O-N 3.1Å |
| 351 | Q | 52.6 | Low | 50.6 | Low | 149 Ų | 149 | 142.3 Ų | 142.3 | 70% | 0.696 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -74.5 | -28.5 | 174.3 | -112.3 | 178.7 | -21.6 | 0 | 0 | 113.1 | R347 | R347-Q351 PolarHBondContact O-N 3.3Å |
| 352 | K | 52 | Low | 49.2 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 67% | 0.67 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -77.5 | -25.8 | 175.8 | -84.6 | -173.7 | 174.7 | -175.2 | 0 | 114.2 | I348 | I348-K352 PolarHBondContact O-N 3.4Å |
| 353 | Q | 54.6 | Low | 48.5 | Very low | 164 Ų | 164 | 144.2 Ų | 144.2 | 77% | 0.766 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -78 | -27.2 | 175 | -87 | -178.1 | -25 | 0 | 0 | 113.8 | N349 | N349-Q353 PolarHBondContact O-N 3.38Å |
| 354 | N | 51.6 | Low | 47.6 | Very low | 145 Ų | 145 | 149 Ų | 149 | 78% | 0.775 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -6 | -178.6 | -88.5 | 3.4 | 0 | 0 | 0 | 115.1 | ||
| 355 | N | 51.5 | Low | 47.4 | Very low | 145 Ų | 145 | 151.2 Ų | 151.2 | 78% | 0.775 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.8 | 16.8 | -175.4 | -99.5 | -37.4 | 0 | 0 | 0 | 114.4 | ||
| 356 | V | 47.2 | Very low | 46.7 | Very low | 121 Ų | 121 | 151.7 Ų | 151.7 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -123.4 | 10.1 | -177.7 | -174.6 | 0 | 0 | 0 | 0 | 112.9 | ||
| 357 | H | 48.1 | Very low | 46 | Very low | 187 Ų | 187 | 151 Ų | 151 | 87% | 0.866 | 76% | 0.761 | S | S | * | * | trans | -123.2 | 46.1 | 179.6 | -128.8 | -61.9 | 0 | 0 | 0 | 114 | ||||
| 358 | F | 44 | Very low | 45.3 | Very low | 203 Ų | 203 | 146.3 Ų | 146.3 | 89% | 0.89 | 76% | 0.757 | S | S | * | * | trans | -143.5 | 86.5 | 165.1 | -155.5 | -91.9 | 0 | 0 | 0 | 110.8 | ||||
| 359 | S | 36.3 | Very low | 44.6 | Very low | 107 Ų | 107 | 152.6 Ų | 152.6 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | 176.2 | 147.2 | 126.4 | -156.8 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 360 | S | 36.7 | Very low | 43.9 | Very low | 106 Ų | 106 | 155.5 Ų | 155.5 | 74% | 0.741 | 79% | 0.789 | S | S | * | * | trans | 72.7 | 92.3 | 167.3 | -79.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 361 | E | 38 | Very low | 43.5 | Very low | 179 Ų | 179 | 156.9 Ų | 156.9 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | -172.9 | 109.8 | 110.2 | -110.2 | 173.8 | 114 | 0 | 0 | 110.4 | |||||
| 362 | N | 34.3 | Very low | 43 | Very low | 154 Ų | 154 | 157.3 Ų | 157.3 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | 169.4 | 95 | 122.3 | -87 | -16.6 | 0 | 0 | 0 | 110.7 | |||||
| 363 | T | 41.2 | Very low | 42.5 | Very low | 134 Ų | 134 | 157.5 Ų | 157.5 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | trans | -73.9 | 151.3 | 147.7 | 39.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 364 | M | 39.5 | Very low | 41.9 | Very low | 175 Ų | 175 | 157.1 Ų | 157.1 | 86% | 0.862 | 83% | 0.825 | S | S | * | * | trans | 84.2 | 102 | 173.9 | -61.9 | -162.4 | 173.3 | 0 | 0 | 118.3 | ||||
| 365 | R | 43.8 | Very low | 41.3 | Very low | 248 Ų | 248 | 157.8 Ų | 157.8 | 94% | 0.936 | 83% | 0.828 | S | S | * | * | -161.7 | 144.1 | 100.7 | -103.1 | 175.4 | -170.1 | 91.3 | -3.7 | 111.8 | |||||
| 366 | A | 37.9 | Very low | 40.7 | Very low | 93 Ų | 93 | 158.6 Ų | 158.6 | 77% | 0.769 | 83% | 0.832 | S | S | * | * | trans | -77.5 | 151.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 367 | S | 39 | Very low | 40.2 | Very low | 102 Ų | 102 | 161.1 Ų | 161.1 | 71% | 0.713 | 84% | 0.838 | S | S | * | * | 53 | 129.5 | 123.4 | -154.2 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 368 | T | 40.2 | Very low | 39.7 | Very low | 118 Ų | 118 | 159.3 Ų | 159.3 | 72% | 0.724 | 84% | 0.836 | S | S | * | * | trans | 95.9 | 123.4 | 137.7 | 13.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 369 | R | 41.5 | Very low | 39.3 | Very low | 229 Ų | 229 | 155.9 Ų | 155.9 | 86% | 0.864 | 83% | 0.832 | S | S | * | * | trans | 82.2 | 121.7 | 150.9 | -68.5 | -166.6 | 175.6 | -171.4 | -0.7 | 118.8 | ||||
| 370 | L | 39.9 | Very low | 39.6 | Very low | 154 Ų | 154 | 160 Ų | 160 | 81% | 0.806 | 84% | 0.839 | S | S | * | * | -162.8 | 113.3 | 107.6 | -87.9 | 155.2 | 0 | 0 | 0 | 106.9 | |||||
| 371 | I | 43.2 | Very low | 39.9 | Very low | 228 Ų | 228 | 164.9 Ų | 164.9 | 100% | 1.169 | 85% | 0.848 | S | S | * | * | 73.4 | 0 | 116.8 | -61.8 | 176.6 | 0 | 0 | 0 | 113 |
Retrieved 371 of 371 residues in 172.3 ms
(Link to these results)