| 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 | 37.1 | Very low | 33.8 | Very low | 250 Ų | 250 | 149.3 Ų | 149.3 | 100% | 1.232 | 88% | 0.875 | S | S | * | * | 0 | 105.4 | 0 | -80.4 | 172.2 | 163.1 | 0 | 0 | 108.3 | |||||
| 2 | A | 34 | Very low | 34.2 | Very low | 106 Ų | 106 | 148.5 Ų | 148.5 | 88% | 0.876 | 87% | 0.874 | S | S | * | * | trans | -159 | 117.1 | 158.5 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 3 | T | 34.2 | Very low | 34 | Very low | 139 Ų | 139 | 143 Ų | 143 | 85% | 0.853 | 87% | 0.868 | S | S | * | * | trans | -93.9 | 136.3 | -168.3 | 37.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 4 | R | 33.4 | Very low | 34.1 | Very low | 242 Ų | 242 | 137.9 Ų | 137.9 | 91% | 0.913 | 86% | 0.858 | S | S | * | * | trans | 4.7 | 127.9 | 149.7 | -73.3 | 175.6 | 154.1 | 175.1 | -6.6 | 118.5 | ||||
| 5 | E | 35.2 | Very low | 34.5 | Very low | 204 Ų | 204 | 141.5 Ų | 141.5 | 95% | 0.953 | 86% | 0.861 | S | S | * | * | trans | -128.6 | 115.2 | 137.6 | -75.6 | -173.3 | 146.7 | 0 | 0 | 109 | ||||
| 6 | G | 32.1 | Very low | 34.6 | Very low | 63 Ų | 63 | 143.2 Ų | 143.2 | 65% | 0.649 | 86% | 0.863 | S | S | * | * | trans | -93.3 | 132.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | H8 | G6-H8 PolarHBondContact O-N 3.26Š| ||
| 7 | C | 30.5 | Very low | 35.7 | Very low | 134 Ų | 134 | 141.2 Ų | 141.2 | 91% | 0.905 | 85% | 0.847 | S | S | * | * | trans | -70.4 | 111.1 | 169.4 | -74.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 8 | H | 29.1 | Very low | 36 | Very low | 184 Ų | 184 | 141.4 Ų | 141.4 | 85% | 0.852 | 84% | 0.843 | S | S | * | * | trans | -77.3 | 121.3 | 166.4 | -89.3 | 53.7 | 0 | 0 | 0 | 109.5 | G6 | G6-H8 PolarHBondContact O-N 3.26Š| ||
| 9 | C | 30.3 | Very low | 36.5 | Very low | 120 Ų | 120 | 138.3 Ų | 138.3 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | -90.4 | 124.2 | 160.6 | -65 | 0 | 0 | 0 | 0 | 108.2 | G11 | C9-G11 PolarHBondContact O-N 3.22Š| ||
| 10 | P | 38.2 | Very low | 37.3 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -77.4 | 112.6 | 172.9 | 27.4 | -24.6 | 0 | 0 | 0 | 109.2 | ||||
| 11 | G | 37.8 | Very low | 38.4 | Very low | 74 Ų | 74 | 133.5 Ų | 133.5 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | trans | -78 | 130.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | C9 | C9-G11 PolarHBondContact O-N 3.22Š| ||
| 12 | T | 39 | Very low | 39.6 | Very low | 140 Ų | 140 | 122.7 Ų | 122.7 | 86% | 0.859 | 74% | 0.737 | S | S | * | * | trans | -149.8 | 133.1 | 155.5 | 48 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 13 | G | 31 | Very low | 40.9 | Very low | 77 Ų | 77 | 118.4 Ų | 118.4 | 79% | 0.794 | 70% | 0.699 | S | S | * | * | cis | 120 | 90.9 | 21.1 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 14 | G | 35.3 | Very low | 42.1 | Very low | 71 Ų | 71 | 115.7 Ų | 115.7 | 73% | 0.732 | 68% | 0.676 | S | S | * | * | trans | 79.1 | 120.2 | 147 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 15 | Q | 40.3 | Very low | 43.4 | Very low | 193 Ų | 193 | 106.2 Ų | 106.2 | 90% | 0.902 | 64% | 0.643 | S | S | * | * | trans | 75.8 | 97.9 | 144.9 | -66.6 | 170.8 | -34 | 0 | 0 | 119.2 | ||||
| 16 | N | 35.9 | Very low | 44.8 | Very low | 168 Ų | 168 | 97 Ų | 97 | 90% | 0.898 | 60% | 0.6 | S | S | * | * | -157.3 | 118 | 104.5 | -127.3 | -12.7 | 0 | 0 | 0 | 111.7 | |||||
| 17 | N | 53.7 | Low | 46 | Very low | 110 Ų | 110 | 97.9 Ų | 97.9 | 59% | 0.588 | 59% | 0.586 | S | S | * | * | trans | -89.6 | 108.8 | 178.8 | -171.1 | 25.1 | 0 | 0 | 0 | 107.2 | ||||
| 18 | N | 40.6 | Very low | 46.6 | Very low | 144 Ų | 144 | 96 Ų | 96 | 77% | 0.77 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -176.5 | 99.7 | 154.4 | -87.1 | -28.7 | 0 | 0 | 0 | 110.2 | ||
| 19 | N | 45.9 | Very low | 47.3 | Very low | 82 Ų | 82 | 89.5 Ų | 89.5 | 44% | 0.439 | 54% | 0.539 | S | S | . | . | trans | 71.4 | 100.6 | -178.8 | -55.9 | -44.4 | 0 | 0 | 0 | 115.5 | I21 H24 | N19-I21 PolarHBondContact O-N 2.96Å; N19-I21 VanDerWaalsContact O-N 3.07Å; N19-H24 VanDerWaalsContact CB-CD2 3.4Å; N19-H24 WeakPolarHBondContact CB-CD2 3.5Å; N19-H24 WeakPolarHBondContact CB-NE2 3.3Å; N19-H24 PolarHBondContact ND2-NE2 3.34Å | ||
| 20 | S | 53.3 | Low | 47.8 | Very low | 43 Ų | 43 | 94.2 Ų | 94.2 | 30% | 0.301 | 54% | 0.539 | S | S | . | . | trans | -49.8 | 120.9 | 160.7 | 175.8 | 0 | 0 | 0 | 0 | 108.5 | L22 Y23 H24 Y214 | S20-L22 PolarHBondContact O-N 3.07Å; S20-L22 VanDerWaalsContact O-N 3.15Å; S20-L22 WeakPolarHBondContact OG-CB 3.4Å; S20-L22 PolarHBondContact OG-N 3.38Å; S20-Y23 WeakPolarHBondContact O-CA 3.39Å; S20-Y23 WeakPolarHBondContact O-CB 3.16Å; S20-Y23 PolarHBondContact O-N 3.05Å; S20-H24 PolarHBondContact O-N 3.14Å; S20-Y214 WeakPolarHBondContact CB-OH 3.08Å | ||
| 21 | I | 60.1 | Low | 47.7 | Very low | 134 Ų | 134 | 95.8 Ų | 95.8 | 69% | 0.687 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -50.4 | -37.9 | 174.2 | -69.4 | 165.2 | 0 | 0 | 0 | 109.4 | N19 Y23 H24 I25 | N19-I21 PolarHBondContact O-N 2.96Å; N19-I21 VanDerWaalsContact O-N 3.07Å; I21-Y23 PolarHBondContact O-N 3.23Å; I21-H24 PolarHBondContact O-N 2.62Å; I21-I25 HydrophobicContact CG2-CD1 3.71Å; I21-I25 HydrophobicContact CG2-CG1 4.38Å; I21-I25 WeakPolarHBondContact O-CB 3.32Å; I21-I25 VanDerWaalsContact O-CG1 3.32Å; I21-I25 WeakPolarHBondContact O-CG1 3.44Å; I21-I25 PolarHBondContact O-N 3.28Å |
| 22 | L | 62.6 | Low | 47.3 | Very low | 22 Ų | 22 | 98 Ų | 98 | 12% | 0.115 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -61.8 | -39 | 174.5 | -169.5 | 123.8 | 0 | 0 | 0 | 112.6 | S20 I25 L26 Y214 E240 A244 | S20-L22 PolarHBondContact O-N 3.07Å; S20-L22 VanDerWaalsContact O-N 3.15Å; S20-L22 WeakPolarHBondContact OG-CB 3.4Å; S20-L22 PolarHBondContact OG-N 3.38Å; L22-I25 WeakPolarHBondContact O-CB 3.5Å; L22-I25 PolarHBondContact O-N 2.88Å; L22-L26 HydrophobicContact CD2-CD1 3.4Å; L22-L26 HydrophobicContact CG-CD1 3.79Å; L22-L26 HydrophobicContact CG-CG 4.47Å; L22-L26 WeakPolarHBondContact O-CB 3.32Å; L22-L26 WeakPolarHBondContact O-CD1 3.43Å; L22-L26 WeakPolarHBondContact O-CG 3.34Å; L22-L26 PolarHBondContact O-N 3.11Å; L22-Y214 HydrophobicContact CD2-CD1 3.44Å; L22-Y214 VanDerWaalsContact CD2-CD1 3.44Å; L22-Y214 HydrophobicContact CD2-CE1 3.62Å; L22-E240 HydrophobicContact CD1-CB 4.1Å; L22-E240 HydrophobicContact CD1-CG 3.66Å; L22-A244 HydrophobicContact CD2-CB 3.95Å |
| 23 | Y | 60.6 | Low | 46.7 | Very low | 17 Ų | 17 | 98.3 Ų | 98.3 | 7% | 0.067 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 172.3 | 176.4 | -114.8 | 0 | 0 | 0 | 111.5 | S20 I21 I25 L26 K27 K210 A213 | S20-Y23 WeakPolarHBondContact O-CA 3.39Å; S20-Y23 WeakPolarHBondContact O-CB 3.16Å; S20-Y23 PolarHBondContact O-N 3.05Å; I21-Y23 PolarHBondContact O-N 3.23Å; Y23-I25 VanDerWaalsContact C-N 3.34Å; Y23-I25 PolarHBondContact O-N 3.08Å; Y23-L26 CarbonylContact O-C 3.43Å; Y23-L26 PolarHBondContact O-N 3.23Å; Y23-L26 VanDerWaalsContact O-N 3.09Å; Y23-K27 HydrophobicContact CD1-CD 4.25Å; Y23-K27 HydrophobicContact CE1-CB 4.31Å; Y23-K27 HydrophobicContact CE1-CD 3.47Å; Y23-K27 VanDerWaalsContact CE1-CD 3.47Å; Y23-K27 HydrophobicContact CE1-CG 3.98Å; Y23-K27 HydrophobicContact CE2-CB 4.21Å; Y23-K27 HydrophobicContact CE2-CG 4.12Å; Y23-K27 WeakPolarHBondContact O-CB 3.34Å; Y23-K27 PolarHBondContact O-N 3.35Å; Y23-K27 VanDerWaalsContact OH-CE 3.31Å; Y23-K27 WeakPolarHBondContact OH-CE 3.4Å; Y23-K210 HydrophobicContact CD1-CG 4.21Å; Y23-K210 HydrophobicContact CD2-CB 4.28Å; Y23-K210 HydrophobicContact CD2-CG 3.68Å; Y23-K210 HydrophobicContact CE1-CD 4.46Å; Y23-K210 HydrophobicContact CE1-CG 3.97Å; Y23-K210 HydrophobicContact CE2-CB 4.16Å; Y23-K210 HydrophobicContact CE2-CG 3.46Å; Y23-K210 VanDerWaalsContact CE2-CG 3.46Å; Y23-K210 HydrophobicContact CG-CG 4.06Å; Y23-A213 HydrophobicContact CD2-CB 3.79Å; Y23-A213 HydrophobicContact CE2-CB 3.95Å |
| 24 | H | 58.9 | Low | 46.5 | Very low | 81 Ų | 81 | 101 Ų | 101 | 38% | 0.375 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.7 | -39.8 | 177.6 | -77.7 | -51.1 | 0 | 0 | 0 | 112.9 | N19 S20 I21 L26 K27 | N19-H24 VanDerWaalsContact CB-CD2 3.4Å; N19-H24 WeakPolarHBondContact CB-CD2 3.5Å; N19-H24 WeakPolarHBondContact CB-NE2 3.3Å; N19-H24 PolarHBondContact ND2-NE2 3.34Å; S20-H24 PolarHBondContact O-N 3.14Å; I21-H24 PolarHBondContact O-N 2.62Å; H24-L26 PolarHBondContact O-N 3.36Å; H24-K27 PolarHBondContact O-N 3.27Å |
| 25 | I | 61.3 | Low | 46 | Very low | 44 Ų | 44 | 106.4 Ų | 106.4 | 23% | 0.226 | 55% | 0.548 | C | S | . | . | H | α-helix | trans | -56 | -41.6 | 170.8 | -77.2 | 167.3 | 0 | 0 | 0 | 111.1 | I21 L22 Y23 V110 P111 | I21-I25 HydrophobicContact CG2-CD1 3.71Å; I21-I25 HydrophobicContact CG2-CG1 4.38Å; I21-I25 WeakPolarHBondContact O-CB 3.32Å; I21-I25 VanDerWaalsContact O-CG1 3.32Å; I21-I25 WeakPolarHBondContact O-CG1 3.44Å; I21-I25 PolarHBondContact O-N 3.28Å; L22-I25 WeakPolarHBondContact O-CB 3.5Å; L22-I25 PolarHBondContact O-N 2.88Å; Y23-I25 VanDerWaalsContact C-N 3.34Å; Y23-I25 PolarHBondContact O-N 3.08Å; I25-V110 HydrophobicContact CG2-CG1 3.96Å; I25-P111 HydrophobicContact CG1-CG 4.4Å |
| 26 | L | 64.1 | Low | 45.3 | Very low | 9 Ų | 9 | 106.9 Ų | 106.9 | 5% | 0.047 | 55% | 0.55 | C | S | . | * | H | α-helix | trans | -87.4 | -9.6 | -177.9 | -63.1 | 166.6 | 0 | 0 | 0 | 113.8 | L22 Y23 H24 F106 V110 A213 Y214 | L22-L26 HydrophobicContact CD2-CD1 3.4Å; L22-L26 HydrophobicContact CG-CD1 3.79Å; L22-L26 HydrophobicContact CG-CG 4.47Å; L22-L26 WeakPolarHBondContact O-CB 3.32Å; L22-L26 WeakPolarHBondContact O-CD1 3.43Å; L22-L26 WeakPolarHBondContact O-CG 3.34Å; L22-L26 PolarHBondContact O-N 3.11Å; Y23-L26 CarbonylContact O-C 3.43Å; Y23-L26 PolarHBondContact O-N 3.23Å; Y23-L26 VanDerWaalsContact O-N 3.09Å; H24-L26 PolarHBondContact O-N 3.36Å; L26-F106 HydrophobicContact CB-CE2 4.13Å; L26-F106 HydrophobicContact CD2-CE2 3.79Å; L26-F106 HydrophobicContact CD2-CZ 3.7Å; L26-F106 WeakPolarHBondContact O-CE2 3.28Å; L26-V110 HydrophobicContact CD2-CG2 4.08Å; L26-A213 HydrophobicContact CB-CB 3.96Å; L26-A213 WeakPolarHBondContact CD1-O 3.44Å; L26-Y214 HydrophobicContact CD1-CD1 4.25Å |
| 27 | K | 57.9 | Low | 44.7 | Very low | 83 Ų | 83 | 108.1 Ų | 108.1 | 36% | 0.361 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97 | 4.1 | -174.9 | -163.6 | -155.7 | -174.7 | 178.5 | 0 | 113.1 | Y23 H24 D29 | Y23-K27 HydrophobicContact CD1-CD 4.25Å; Y23-K27 HydrophobicContact CE1-CB 4.31Å; Y23-K27 HydrophobicContact CE1-CD 3.47Å; Y23-K27 VanDerWaalsContact CE1-CD 3.47Å; Y23-K27 HydrophobicContact CE1-CG 3.98Å; Y23-K27 HydrophobicContact CE2-CB 4.21Å; Y23-K27 HydrophobicContact CE2-CG 4.12Å; Y23-K27 WeakPolarHBondContact O-CB 3.34Å; Y23-K27 PolarHBondContact O-N 3.35Å; Y23-K27 VanDerWaalsContact OH-CE 3.31Å; Y23-K27 WeakPolarHBondContact OH-CE 3.4Å; H24-K27 PolarHBondContact O-N 3.27Å; K27-D29 PolarHBondContact O-N 3.09Å |
| 28 | N | 43.7 | Very low | 43.4 | Very low | 93 Ų | 93 | 111.5 Ų | 111.5 | 50% | 0.497 | 56% | 0.563 | S | S | . | * | trans | -71.3 | 62.5 | -179.8 | -78.5 | -16.7 | 0 | 0 | 0 | 113.2 | N109 | N28-N109 HydrophobicContact CB-CB 4.41Š| ||
| 29 | D | 42.7 | Very low | 42.6 | Very low | 49 Ų | 49 | 110.4 Ų | 110.4 | 26% | 0.262 | 56% | 0.561 | S | S | . | * | trans | -132.6 | 16.3 | -180 | -143.7 | 7.6 | 0 | 0 | 0 | 111.4 | K27 K102 | K27-D29 PolarHBondContact O-N 3.09Å; D29-K102 WeakPolarHBondContact OD2-CE 3.49Å; D29-K102 VanDerWaalsContact OD2-CG 3.29Å; D29-K102 WeakPolarHBondContact OD2-CG 3.41Å | ||
| 30 | R | 41.6 | Very low | 41.8 | Very low | 219 Ų | 219 | 114.5 Ų | 114.5 | 83% | 0.826 | 58% | 0.582 | S | S | * | * | trans | -111.8 | 83.9 | 173.9 | -77.4 | -163.5 | 175.9 | -158.7 | -1.9 | 111.6 | ||||
| 31 | L | 35 | Very low | 40.5 | Very low | 159 Ų | 159 | 118.8 Ų | 118.8 | 83% | 0.832 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -155.9 | 131.2 | 144.8 | -96.8 | 132.7 | 0 | 0 | 0 | 109.3 | ||
| 32 | T | 29.3 | Very low | 38.8 | Very low | 120 Ų | 120 | 121.3 Ų | 121.3 | 74% | 0.736 | 61% | 0.612 | S | S | * | * | trans | 86.8 | 70 | 171.4 | 72.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 33 | T | 27.7 | Very low | 37.2 | Very low | 147 Ų | 147 | 126.7 Ų | 126.7 | 90% | 0.902 | 65% | 0.648 | S | S | * | * | trans | -138.8 | 85 | 131.5 | 36.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 34 | T | 25.1 | Very low | 35.5 | Very low | 132 Ų | 132 | 133.5 Ų | 133.5 | 81% | 0.81 | 68% | 0.681 | S | S | * | * | trans | -147.5 | 97.5 | 163.4 | -38.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 35 | E | 25.6 | Very low | 34 | Very low | 186 Ų | 186 | 139.2 Ų | 139.2 | 87% | 0.869 | 71% | 0.708 | S | S | * | * | trans | 164.5 | 88.6 | 144.6 | -91.2 | 175.7 | -179 | 0 | 0 | 108.4 | ||||
| 36 | E | 25.5 | Very low | 32.3 | Very low | 202 Ų | 202 | 144.2 Ų | 144.2 | 94% | 0.944 | 73% | 0.73 | S | S | * | * | trans | -172.3 | 94.1 | 132.3 | -109.8 | -178.6 | 127.3 | 0 | 0 | 108 | ||||
| 37 | Q | 24.2 | Very low | 30.6 | Very low | 194 Ų | 194 | 153.1 Ų | 153.1 | 91% | 0.907 | 77% | 0.771 | S | S | * | * | trans | -126.8 | 94.5 | 168.5 | -121.4 | 157.1 | 11.2 | 0 | 0 | 107.1 | ||||
| 38 | Q | 26.8 | Very low | 29.2 | Very low | 182 Ų | 182 | 156.1 Ų | 156.1 | 85% | 0.85 | 79% | 0.786 | S | S | * | * | trans | -126.9 | 96.1 | 156.7 | -81.8 | -178.3 | -2.5 | 0 | 0 | 106.1 | ||||
| 39 | T | 23.6 | Very low | 28.5 | Very low | 120 Ų | 120 | 159.2 Ų | 159.2 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | 62.9 | 107.5 | 107 | 55.6 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 40 | I | 27.6 | Very low | 27.6 | Very low | 169 Ų | 169 | 166.2 Ų | 166.2 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | trans | -157.6 | 123.3 | 133.2 | -87.2 | 135 | 0 | 0 | 0 | 108.9 | ||||
| 41 | T | 27.4 | Very low | 26.8 | Very low | 132 Ų | 132 | 166.3 Ų | 166.3 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | trans | -16.9 | 142.4 | 168.5 | 21.5 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 42 | K | 23.5 | Very low | 26.3 | Very low | 188 Ų | 188 | 168.2 Ų | 168.2 | 82% | 0.817 | 83% | 0.825 | S | S | * | * | trans | -64.9 | 166.6 | 159.9 | -70.1 | 178.2 | 172.1 | 174.7 | 0 | 112 | ||||
| 43 | P | 28.3 | Very low | 26.2 | Very low | 135 Ų | 135 | 173.2 Ų | 173.2 | 88% | 0.877 | 83% | 0.831 | S | S | * | * | -135.2 | 165.3 | 95.2 | 26.6 | -7.8 | 0 | 0 | 0 | 115.3 | |||||
| 44 | Q | 25.3 | Very low | 26.2 | Very low | 160 Ų | 160 | 172.5 Ų | 172.5 | 75% | 0.748 | 83% | 0.826 | S | S | * | * | trans | -90 | 144.3 | -166.9 | 178.2 | -178.7 | -2.8 | 0 | 0 | 111.4 | ||||
| 45 | Q | 28.4 | Very low | 26.3 | Very low | 201 Ų | 201 | 171.1 Ų | 171.1 | 94% | 0.939 | 82% | 0.821 | S | S | * | * | trans | -150.7 | 145.6 | 146.9 | -114.5 | 173.9 | 15.3 | 0 | 0 | 112.3 | ||||
| 46 | H | 25.4 | Very low | 26.3 | Very low | 148 Ų | 148 | 167.7 Ų | 167.7 | 69% | 0.685 | 82% | 0.818 | S | S | * | * | trans | -119.9 | 131.2 | -156.1 | -168.1 | 87.2 | 0 | 0 | 0 | 106.1 | ||||
| 47 | Q | 28.7 | Very low | 26.3 | Very low | 196 Ų | 196 | 164.5 Ų | 164.5 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | trans | -168.4 | 141 | 147.2 | -109.9 | 158.5 | 24.1 | 0 | 0 | 113.1 | ||||
| 48 | Q | 28.6 | Very low | 26.5 | Very low | 146 Ų | 146 | 161 Ų | 161 | 68% | 0.682 | 81% | 0.813 | S | S | * | * | trans | -118 | 169.1 | -173.4 | -173.9 | 163.5 | 10.3 | 0 | 0 | 108.6 | ||||
| 49 | H | 28.8 | Very low | 26.6 | Very low | 158 Ų | 158 | 157.8 Ų | 157.8 | 73% | 0.731 | 81% | 0.811 | S | S | * | * | trans | 91.7 | 147.5 | 169.1 | -52.5 | -75.2 | 0 | 0 | 0 | 116.2 | ||||
| 50 | R | 23.9 | Very low | 26.9 | Very low | 196 Ų | 196 | 157.3 Ų | 157.3 | 74% | 0.74 | 81% | 0.813 | S | S | * | * | cis | -179.9 | 137.6 | -19.7 | -179.8 | 174.8 | -104.9 | -167.2 | -2.8 | 105.6 | ||||
| 51 | W | 24.3 | Very low | 27 | Very low | 222 Ų | 222 | 155 Ų | 155 | 84% | 0.841 | 81% | 0.811 | S | S | * | * | trans | 13.7 | 129.2 | 160.9 | -49.6 | 116.3 | 0 | 0 | 0 | 122.3 | ||||
| 52 | H | 24.4 | Very low | 27.1 | Very low | 199 Ų | 199 | 154 Ų | 154 | 92% | 0.921 | 81% | 0.81 | S | S | * | * | trans | -135 | 133.4 | 139.3 | -86.7 | -78.2 | 0 | 0 | 0 | 112 | ||||
| 53 | R | 26.6 | Very low | 27.4 | Very low | 225 Ų | 225 | 150.8 Ų | 150.8 | 85% | 0.849 | 81% | 0.811 | S | S | * | * | trans | -105.8 | 130 | 176.8 | 169.4 | -160.8 | -75.4 | -140.5 | -0.7 | 107.2 | ||||
| 54 | V | 27.9 | Very low | 27.7 | Very low | 132 Ų | 132 | 150.3 Ų | 150.3 | 80% | 0.8 | 81% | 0.811 | S | S | * | * | trans | -153.7 | 103.7 | 155.4 | -178.6 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 55 | S | 27.5 | Very low | 28.1 | Very low | 102 Ų | 102 | 147.9 Ų | 147.9 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | 74.6 | 128.6 | 91.1 | -51.8 | 0 | 0 | 0 | 0 | 115 | |||||
| 56 | S | 26.4 | Very low | 28.7 | Very low | 114 Ų | 114 | 150.2 Ų | 150.2 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | -63.4 | 152.1 | -172.5 | -24.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 57 | C | 24.3 | Very low | 29.1 | Very low | 136 Ų | 136 | 150.9 Ų | 150.9 | 92% | 0.919 | 82% | 0.82 | S | S | * | * | trans | -142.4 | 118.6 | 150.2 | -78.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 58 | S | 28.7 | Very low | 29.3 | Very low | 120 Ų | 120 | 150.4 Ų | 150.4 | 84% | 0.839 | 82% | 0.817 | S | S | * | * | trans | -102.3 | 132.1 | 167.1 | 32.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 59 | S | 29.6 | Very low | 29.3 | Very low | 115 Ų | 115 | 150.5 Ų | 150.5 | 80% | 0.804 | 82% | 0.822 | S | S | * | * | trans | -156.8 | 118.6 | 158.5 | 48.5 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 60 | S | 29.2 | Very low | 29.5 | Very low | 110 Ų | 110 | 152.8 Ų | 152.8 | 77% | 0.769 | 82% | 0.824 | S | S | * | * | trans | -63.9 | 141.1 | 165.6 | 44.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 61 | S | 30.6 | Very low | 30.1 | Very low | 119 Ų | 119 | 150.6 Ų | 150.6 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | 153.9 | 142.6 | 111.9 | 54.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 62 | S | 29.5 | Very low | 30.8 | Very low | 113 Ų | 113 | 147 Ų | 147 | 79% | 0.79 | 81% | 0.814 | S | S | * | * | trans | -40.7 | 137.9 | 179.9 | -39.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 63 | S | 29.7 | Very low | 31.6 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | -161.1 | 135.6 | 126.8 | -12.6 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 64 | S | 34.9 | Very low | 32.2 | Very low | 126 Ų | 126 | 139.1 Ų | 139.1 | 88% | 0.881 | 80% | 0.802 | S | S | * | * | trans | -52.7 | 131.1 | -179.2 | -52.7 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 65 | S | 32.8 | Very low | 33 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -150.4 | 128.3 | 147.5 | 38.4 | 0 | 0 | 0 | 0 | 109.4 | L67 | S65-L67 PolarHBondContact O-N 2.94Š| ||
| 66 | R | 40.8 | Very low | 34.1 | Very low | 249 Ų | 249 | 138 Ų | 138 | 94% | 0.94 | 80% | 0.799 | S | S | * | * | trans | -55.5 | 117.7 | -178.3 | -66.5 | 170.9 | -164.9 | -164.4 | 0.9 | 109.6 | ||||
| 67 | L | 34 | Very low | 35.2 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | trans | -122.2 | 115.1 | 155.1 | -76.5 | 166.8 | 0 | 0 | 0 | 106.5 | S65 L69 | S65-L67 PolarHBondContact O-N 2.94Å; L67-L69 PolarHBondContact O-N 3.47Å; L67-L69 VanDerWaalsContact O-N 3.11Å | ||
| 68 | E | 32.2 | Very low | 36.4 | Very low | 186 Ų | 186 | 132.7 Ų | 132.7 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | trans | -49 | 113.4 | -179.4 | -63.4 | 173.6 | 127.9 | 0 | 0 | 109.9 | R70 | E68-R70 PolarHBondContact O-N 3.44Š| ||
| 69 | L | 29.9 | Very low | 37.5 | Very low | 148 Ų | 148 | 130.5 Ų | 130.5 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | trans | -62.1 | 88.5 | 156.6 | -100.2 | 129.5 | 0 | 0 | 0 | 106.6 | L67 Q71 | L67-L69 PolarHBondContact O-N 3.47Å; L67-L69 VanDerWaalsContact O-N 3.11Å; L69-Q71 PolarHBondContact O-N 3.23Å | ||
| 70 | R | 31.6 | Very low | 38.6 | Very low | 206 Ų | 206 | 129.7 Ų | 129.7 | 78% | 0.777 | 75% | 0.747 | S | S | * | * | trans | -71.7 | 68.8 | 159.6 | -147.5 | 179.4 | -177.5 | -150.8 | 2.3 | 106.6 | E68 Q72 | E68-R70 PolarHBondContact O-N 3.44Å; R70-Q72 HydrophobicContact CG-CG 4.49Å; R70-Q72 PolarHBondContact O-N 2.88Å | ||
| 71 | Q | 37 | Very low | 40.3 | Very low | 150 Ų | 150 | 130.5 Ų | 130.5 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | trans | -63.3 | 88 | 164.7 | -160.3 | 105.5 | 37 | 0 | 0 | 104.7 | L69 Q73 | L69-Q71 PolarHBondContact O-N 3.23Å; Q71-Q73 PolarHBondContact O-N 3.18Å | ||
| 72 | Q | 39.9 | Very low | 42.5 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | trans | -65.2 | 86.8 | 168.9 | -81.4 | 162 | -9 | 0 | 0 | 106.2 | R70 A74 | R70-Q72 HydrophobicContact CG-CG 4.49Å; R70-Q72 PolarHBondContact O-N 2.88Å; Q72-A74 PolarHBondContact O-N 3.18Å | ||
| 73 | Q | 41.1 | Very low | 45.3 | Very low | 177 Ų | 177 | 129.3 Ų | 129.3 | 83% | 0.827 | 69% | 0.693 | S | S | * | * | trans | -60.9 | 92.8 | 165.4 | -157.6 | 159.3 | 9 | 0 | 0 | 105.1 | Q71 C75 | Q71-Q73 PolarHBondContact O-N 3.18Å; Q73-C75 PolarHBondContact O-N 2.8Å | ||
| 74 | A | 38.2 | Very low | 48.1 | Very low | 82 Ų | 82 | 123.7 Ų | 123.7 | 68% | 0.678 | 65% | 0.654 | S | S | * | * | trans | -60.6 | 108.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | Q72 S76 | Q72-A74 PolarHBondContact O-N 3.18Å; A74-S76 PolarHBondContact O-N 3.46Å | ||
| 75 | C | 44.7 | Very low | 50.7 | Low | 91 Ų | 91 | 119.5 Ų | 119.5 | 62% | 0.615 | 62% | 0.624 | S | S | * | * | trans | -55.5 | 129.4 | 172.2 | -64.8 | 0 | 0 | 0 | 0 | 108.8 | Q73 C77 G78 | Q73-C75 PolarHBondContact O-N 2.8Å; C75-C77 PolarHBondContact O-N 2.82Å; C75-G78 PolarHBondContact O-N 3.15Å | ||
| 76 | S | 51.7 | Low | 53.5 | Low | 119 Ų | 119 | 114.8 Ų | 114.8 | 83% | 0.832 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -9.5 | 179.2 | -45.6 | 0 | 0 | 0 | 0 | 114 | A74 | A74-S76 PolarHBondContact O-N 3.46Š|
| 77 | C | 48.8 | Very low | 55.9 | Low | 101 Ų | 101 | 110.7 Ų | 110.7 | 68% | 0.682 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -13.7 | 175.7 | 66.5 | 0 | 0 | 0 | 0 | 114.5 | C75 | C75-C77 PolarHBondContact O-N 2.82Š|
| 78 | G | 50.4 | Low | 58.7 | Low | 38 Ų | 38 | 105.3 Ų | 105.3 | 39% | 0.392 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.1 | -28.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | C75 S80 R81 | C75-G78 PolarHBondContact O-N 3.15Å; G78-S80 VanDerWaalsContact C-N 3.34Å; G78-S80 PolarHBondContact O-N 3.43Å; G78-R81 PolarHBondContact O-N 3.22Å |
| 79 | S | 51.3 | Low | 61.5 | Low | 75 Ų | 75 | 98.8 Ų | 98.8 | 52% | 0.524 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -72.1 | -27.2 | -174.8 | -45.6 | 0 | 0 | 0 | 0 | 113.3 | R81 | S79-R81 VanDerWaalsContact C-N 3.31Å; S79-R81 PolarHBondContact O-N 3.05Å |
| 80 | S | 53.2 | Low | 64.4 | Low | 97 Ų | 97 | 99.2 Ų | 99.2 | 68% | 0.678 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -77.8 | -14 | -179.4 | -173.2 | 0 | 0 | 0 | 0 | 113.5 | G78 | G78-S80 VanDerWaalsContact C-N 3.34Å; G78-S80 PolarHBondContact O-N 3.43Å |
| 81 | R | 63.6 | Low | 67.4 | Low | 128 Ų | 128 | 94.4 Ų | 94.4 | 48% | 0.483 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -97.5 | -12.6 | -175.7 | -159.8 | 176.2 | -66.6 | -89.6 | -1.3 | 113.9 | G78 S79 R83 | G78-R81 PolarHBondContact O-N 3.22Å; S79-R81 VanDerWaalsContact C-N 3.31Å; S79-R81 PolarHBondContact O-N 3.05Å; R81-R83 PolarHBondContact O-N 2.79Å |
| 82 | R | 77.7 | Confident | 70.1 | Confident | 139 Ų | 139 | 87.6 Ų | 87.6 | 53% | 0.525 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 115.6 | 179 | -64.8 | -167.6 | -174.3 | -156.2 | 5.7 | 109.5 | E148 L189 | R82-E148 IonicContact NH1-OE2 3.37Å; R82-E148 PolarHBondContact NH1-OE2 2.96Å; R82-L189 HydrophobicContact CB-CB 3.99Å; R82-L189 HydrophobicContact CB-CD2 3.98Å; R82-L189 WeakPolarHBondContact O-CB 3.46Å; R82-L189 PolarHBondContact O-N 3.23Å |
| 83 | R | 87 | Confident | 72.8 | Confident | 68 Ų | 68 | 80.7 Ų | 80.7 | 26% | 0.257 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 147.8 | 174.4 | -65.3 | -175.9 | -175.7 | -77.5 | -4.1 | 109.7 | R81 T149 G186 V187 | R81-R83 PolarHBondContact O-N 2.79Å; R83-T149 PolarHBondContact O-N 3.18Å; R83-T149 PolarHBondContact O-OG1 3.15Å; R83-G186 WeakPolarHBondContact CD-O 3.21Å; R83-G186 PolarHBondContact NH1-O 3.46Å; R83-V187 CarbonylContact C-O 3.45Å; R83-V187 VanDerWaalsContact CA-O 3.22Å; R83-V187 WeakPolarHBondContact CA-O 3.41Å |
| 84 | G | 88.3 | Confident | 75.4 | Confident | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 148.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | T147 V187 | G84-T147 WeakPolarHBondContact CA-O 3.37Å; G84-V187 PolarHBondContact N-O 2.84Å; G84-V187 PolarHBondContact O-N 3.43Å |
| 85 | S | 90.4 | Very high | 78.1 | Confident | 38 Ų | 38 | 77.8 Ų | 77.8 | 27% | 0.266 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 160 | 169.2 | 61.5 | 0 | 0 | 0 | 0 | 109.9 | R87 I146 T147 | S85-R87 PolarHBondContact O-N 2.88Å; S85-I146 CarbonylContact O-C 3.5Å; S85-I146 VanDerWaalsContact O-CA 3.25Å; S85-I146 WeakPolarHBondContact O-CA 3.37Å; S85-I146 VanDerWaalsContact O-CG2 3.3Å; S85-I146 WeakPolarHBondContact O-CG2 3.44Å; S85-T147 PolarHBondContact N-O 2.88Å; S85-T147 PolarHBondContact O-N 3.21Å |
| 86 | L | 92.1 | Very high | 80.6 | Confident | 10 Ų | 10 | 73.4 Ų | 73.4 | 5% | 0.052 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 133.5 | 176.7 | -65.8 | 173.7 | 0 | 0 | 0 | 110.1 | S88 P89 T92 F144 L281 F282 | L86-S88 VanDerWaalsContact C-N 3.28Å; L86-S88 PolarHBondContact O-N 2.92Å; L86-P89 HydrophobicContact CB-CB 4.38Å; L86-P89 HydrophobicContact CB-CG 4.1Å; L86-P89 WeakPolarHBondContact O-CD 3.09Å; L86-P89 WeakPolarHBondContact O-CG 3.32Å; L86-T92 HydrophobicContact CD1-CG2 4.02Å; L86-T92 HydrophobicContact CD2-CG2 4.06Å; L86-F144 HydrophobicContact CD2-CB 4.2Å; L86-F144 HydrophobicContact CD2-CD2 3.67Å; L86-F144 HydrophobicContact CD2-CE2 4.41Å; L86-F144 HydrophobicContact CD2-CG 4.18Å; L86-L281 WeakPolarHBondContact CD1-O 3.01Å; L86-L281 HydrophobicContact CD2-CD1 3.98Å; L86-L281 HydrophobicContact CD2-CD2 4.49Å; L86-L281 HydrophobicContact CD2-CG 4.07Å; L86-L281 HydrophobicContact CG-CD1 3.84Å; L86-L281 HydrophobicContact CG-CG 4.16Å; L86-F282 HydrophobicContact CD1-CD1 4.11Å; L86-F282 HydrophobicContact CD2-CD1 4.49Å; L86-F282 HydrophobicContact CD2-CE1 4.13Å |
| 87 | R | 91.8 | Very high | 82.7 | Confident | 164 Ų | 164 | 69.8 Ų | 69.8 | 62% | 0.619 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -64.5 | -36.8 | 176.1 | -169.5 | -176.6 | -167.6 | 172.5 | 3.2 | 111.8 | S85 E145 | S85-R87 PolarHBondContact O-N 2.88Å; R87-E145 HydrophobicContact CB-CB 3.8Å; R87-E145 WeakPolarHBondContact CD-OE2 3.33Å; R87-E145 IonicContact CZ-OE2 3.11Å; R87-E145 PolarHBondContact N-O 2.92Å; R87-E145 IonicContact NE-OE2 2.88Å; R87-E145 IonicContact NH1-OE2 3.76Å; R87-E145 PolarHBondContact NH1-OE2 3.21Å |
| 88 | S | 91.4 | Very high | 85 | Confident | 50 Ų | 50 | 68 Ų | 68 | 35% | 0.35 | 37% | 0.365 | S | S | . | . | S | Bend | trans | -130.2 | 73.5 | -179.7 | 55.1 | 0 | 0 | 0 | 0 | 110.6 | L86 Q90 V91 T92 | L86-S88 VanDerWaalsContact C-N 3.28Å; L86-S88 PolarHBondContact O-N 2.92Å; S88-Q90 VanDerWaalsContact C-N 3.29Å; S88-Q90 PolarHBondContact O-N 3.03Å; S88-V91 PolarHBondContact O-N 2.96Å; S88-T92 PolarHBondContact O-N 2.73Å; S88-T92 PolarHBondContact O-OG1 3.2Å |
| 89 | P | 91.3 | Very high | 87.2 | Confident | 48 Ų | 48 | 66.5 Ų | 66.5 | 31% | 0.312 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -55.6 | -42.9 | -174.9 | -22.8 | 31.9 | 0 | 0 | 0 | 112.3 | L86 V91 T92 C93 P285 | L86-P89 HydrophobicContact CB-CB 4.38Å; L86-P89 HydrophobicContact CB-CG 4.1Å; L86-P89 WeakPolarHBondContact O-CD 3.09Å; L86-P89 WeakPolarHBondContact O-CG 3.32Å; P89-V91 VanDerWaalsContact C-N 3.35Å; P89-V91 PolarHBondContact O-N 3.02Å; P89-T92 PolarHBondContact O-N 3.02Å; P89-C93 WeakPolarHBondContact O-CB 3.38Å; P89-C93 PolarHBondContact O-N 3.41Å; P89-C93 PolarHBondContact O-SG 3.4Å; P89-P285 HydrophobicContact CB-CB 4.14Å |
| 90 | Q | 91.4 | Very high | 89.4 | Confident | 157 Ų | 157 | 63 Ų | 63 | 73% | 0.734 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -56.9 | -44.1 | -177.1 | -60.4 | -62.4 | -11.6 | 0 | 0 | 113.5 | S88 K94 | S88-Q90 VanDerWaalsContact C-N 3.29Å; S88-Q90 PolarHBondContact O-N 3.03Å; Q90-K94 VanDerWaalsContact O-CB 3.27Å; Q90-K94 WeakPolarHBondContact O-CB 3.47Å; Q90-K94 PolarHBondContact O-N 3.35Å |
| 91 | V | 93.4 | Very high | 91.4 | Very high | 105 Ų | 105 | 61.1 Ų | 61.1 | 64% | 0.636 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -74.1 | -48.9 | -177.8 | -179.6 | 0 | 0 | 0 | 0 | 110.5 | S88 P89 K94 A95 | S88-V91 PolarHBondContact O-N 2.96Å; P89-V91 VanDerWaalsContact C-N 3.35Å; P89-V91 PolarHBondContact O-N 3.02Å; V91-K94 PolarHBondContact O-N 2.87Å; V91-A95 PolarHBondContact O-N 3.3Å; V91-A95 VanDerWaalsContact O-N 3.09Å |
| 92 | T | 94.9 | Very high | 92.9 | Very high | 7 Ų | 7 | 57.5 Ų | 57.5 | 4% | 0.043 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -70.8 | -40.3 | -175.2 | -55 | 0 | 0 | 0 | 0 | 111.8 | L86 S88 P89 A95 A96 F144 F282 | L86-T92 HydrophobicContact CD1-CG2 4.02Å; L86-T92 HydrophobicContact CD2-CG2 4.06Å; S88-T92 PolarHBondContact O-N 2.73Å; S88-T92 PolarHBondContact O-OG1 3.2Å; P89-T92 PolarHBondContact O-N 3.02Å; T92-A95 PolarHBondContact O-N 3.17Å; T92-A96 WeakPolarHBondContact O-CB 3.42Å; T92-A96 PolarHBondContact O-N 2.91Å; T92-F144 HydrophobicContact CG2-CB 3.59Å; T92-F144 HydrophobicContact CG2-CG 4.28Å; T92-F282 HydrophobicContact CG2-CD1 3.85Å; T92-F282 HydrophobicContact CG2-CE1 3.8Å |
| 93 | C | 95.8 | Very high | 93.7 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.8 | -38.1 | 176.4 | -61.5 | 0 | 0 | 0 | 0 | 111.5 | P89 A95 A96 S97 F282 V286 | P89-C93 WeakPolarHBondContact O-CB 3.38Å; P89-C93 PolarHBondContact O-N 3.41Å; P89-C93 PolarHBondContact O-SG 3.4Å; C93-A95 VanDerWaalsContact C-N 3.34Å; C93-A95 PolarHBondContact O-N 3.36Å; C93-A96 WeakPolarHBondContact O-CA 3.42Å; C93-A96 WeakPolarHBondContact O-CB 3.35Å; C93-A96 PolarHBondContact O-N 3.04Å; C93-A96 VanDerWaalsContact O-N 3.16Å; C93-S97 PolarHBondContact O-N 3.44Å; C93-S97 PolarHBondContact O-OG 2.71Å; C93-F282 WeakPolarHBondContact CB-O 3.36Å; C93-F282 PolarHBondContact SG-O 3.37Å; C93-V286 HydrophobicContact CB-CG2 3.38Å |
| 94 | K | 95.4 | Very high | 94.1 | Very high | 168 Ų | 168 | 48.3 Ų | 48.3 | 73% | 0.73 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -60.6 | -44 | 172.9 | -176.9 | 177.2 | -179.7 | 178.5 | 0 | 111.7 | Q90 V91 A96 S97 A98 | Q90-K94 VanDerWaalsContact O-CB 3.27Å; Q90-K94 WeakPolarHBondContact O-CB 3.47Å; Q90-K94 PolarHBondContact O-N 3.35Å; V91-K94 PolarHBondContact O-N 2.87Å; K94-A96 VanDerWaalsContact C-N 3.34Å; K94-S97 PolarHBondContact O-N 2.83Å; K94-A98 PolarHBondContact O-N 3.49Å; K94-A98 VanDerWaalsContact O-N 3.11Å |
| 95 | A | 96.3 | Very high | 94.4 | Very high | 30 Ų | 30 | 53.8 Ų | 53.8 | 25% | 0.248 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.8 | -41 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V91 T92 C93 A98 V99 V142 | V91-A95 PolarHBondContact O-N 3.3Å; V91-A95 VanDerWaalsContact O-N 3.09Å; T92-A95 PolarHBondContact O-N 3.17Å; C93-A95 VanDerWaalsContact C-N 3.34Å; C93-A95 PolarHBondContact O-N 3.36Å; A95-A98 PolarHBondContact O-N 3.27Å; A95-V99 WeakPolarHBondContact O-CG2 3.44Å; A95-V99 PolarHBondContact O-N 2.93Å; A95-V142 HydrophobicContact CB-CG1 4.22Å |
| 96 | A | 97.1 | Very high | 94.5 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -56.7 | -49.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T92 C93 K94 A98 V99 L100 L133 F137 F282 F283 | T92-A96 WeakPolarHBondContact O-CB 3.42Å; T92-A96 PolarHBondContact O-N 2.91Å; C93-A96 WeakPolarHBondContact O-CA 3.42Å; C93-A96 WeakPolarHBondContact O-CB 3.35Å; C93-A96 PolarHBondContact O-N 3.04Å; C93-A96 VanDerWaalsContact O-N 3.16Å; K94-A96 VanDerWaalsContact C-N 3.34Å; A96-A98 VanDerWaalsContact C-N 3.34Å; A96-A98 PolarHBondContact O-N 2.91Å; A96-V99 PolarHBondContact O-N 2.93Å; A96-L100 WeakPolarHBondContact O-CB 3.48Å; A96-L100 PolarHBondContact O-N 3.02Å; A96-L133 WeakPolarHBondContact O-CD1 3.37Å; A96-F137 HydrophobicContact CB-CE1 4.14Å; A96-F137 HydrophobicContact CB-CZ 3.63Å; A96-F282 HydrophobicContact CB-CB 3.81Å; A96-F282 HydrophobicContact CB-CD1 4.5Å; A96-F282 HydrophobicContact CB-CG 4.38Å; A96-F283 HydrophobicContact CB-CE1 4.22Å; A96-F283 HydrophobicContact CB-CZ 3.99Å |
| 97 | S | 96.4 | Very high | 94.7 | Very high | 42 Ų | 42 | 51.9 Ų | 51.9 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.6 | -42.6 | 176.9 | -58.9 | 0 | 0 | 0 | 0 | 112 | C93 K94 V99 L100 V101 | C93-S97 PolarHBondContact O-N 3.44Å; C93-S97 PolarHBondContact O-OG 2.71Å; K94-S97 PolarHBondContact O-N 2.83Å; S97-V99 PolarHBondContact O-N 3.19Å; S97-L100 WeakPolarHBondContact O-CB 3.33Å; S97-L100 PolarHBondContact O-N 3.3Å; S97-V101 WeakPolarHBondContact O-CG2 3.39Å; S97-V101 PolarHBondContact O-N 3.41Å |
| 98 | A | 96.1 | Very high | 94.7 | Very high | 63 Ų | 63 | 48.6 Ų | 48.6 | 52% | 0.521 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.3 | -43.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K94 A95 A96 L100 V101 K102 | K94-A98 PolarHBondContact O-N 3.49Å; K94-A98 VanDerWaalsContact O-N 3.11Å; A95-A98 PolarHBondContact O-N 3.27Å; A96-A98 VanDerWaalsContact C-N 3.34Å; A96-A98 PolarHBondContact O-N 2.91Å; A98-L100 VanDerWaalsContact C-N 3.33Å; A98-V101 PolarHBondContact O-N 3.45Å; A98-K102 PolarHBondContact O-N 3.29Å; A98-K102 VanDerWaalsContact O-N 3.13Å |
| 99 | V | 97.2 | Very high | 94.7 | Very high | 8 Ų | 8 | 49.2 Ų | 49.2 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68 | -34.2 | 176.8 | 179.2 | 0 | 0 | 0 | 0 | 111.1 | A95 A96 S97 K102 T103 L133 F137 V142 | A95-V99 WeakPolarHBondContact O-CG2 3.44Å; A95-V99 PolarHBondContact O-N 2.93Å; A96-V99 PolarHBondContact O-N 2.93Å; S97-V99 PolarHBondContact O-N 3.19Å; V99-K102 PolarHBondContact O-N 3.38Å; V99-T103 WeakPolarHBondContact O-CB 3.46Å; V99-T103 PolarHBondContact O-N 3.28Å; V99-T103 PolarHBondContact O-OG1 3.28Å; V99-L133 HydrophobicContact CB-CD1 3.97Å; V99-L133 HydrophobicContact CG1-CD1 3.88Å; V99-F137 HydrophobicContact CB-CD1 4.17Å; V99-F137 HydrophobicContact CB-CE1 4.01Å; V99-F137 HydrophobicContact CG1-CD1 4.11Å; V99-F137 HydrophobicContact CG1-CE1 4.33Å; V99-F137 HydrophobicContact CG2-CD1 4Å; V99-F137 HydrophobicContact CG2-CE1 4.07Å; V99-V142 HydrophobicContact CG2-CG2 4.4Å |
| 100 | L | 96.7 | Very high | 94.8 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.01 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.8 | -47.8 | 175.3 | -175.7 | 62.3 | 0 | 0 | 0 | 111.5 | A96 S97 A98 K102 T103 L104 W129 L133 F283 M292 L296 M299 | A96-L100 WeakPolarHBondContact O-CB 3.48Å; A96-L100 PolarHBondContact O-N 3.02Å; S97-L100 WeakPolarHBondContact O-CB 3.33Å; S97-L100 PolarHBondContact O-N 3.3Å; A98-L100 VanDerWaalsContact C-N 3.33Å; L100-K102 VanDerWaalsContact C-N 3.31Å; L100-K102 PolarHBondContact O-N 3.37Å; L100-T103 WeakPolarHBondContact O-CA 3.42Å; L100-T103 WeakPolarHBondContact O-CB 3.27Å; L100-T103 PolarHBondContact O-N 3.22Å; L100-T103 VanDerWaalsContact O-N 3.09Å; L100-L104 HydrophobicContact CD1-CD1 4.46Å; L100-L104 HydrophobicContact CD1-CG 4.28Å; L100-L104 HydrophobicContact CG-CD1 4.29Å; L100-L104 HydrophobicContact CG-CG 4.45Å; L100-L104 WeakPolarHBondContact O-CG 3.31Å; L100-L104 PolarHBondContact O-N 2.93Å; L100-W129 HydrophobicContact CD1-CE3 4.23Å; L100-L133 HydrophobicContact CB-CD1 3.75Å; L100-L133 HydrophobicContact CD1-CD1 4.29Å; L100-L133 VanDerWaalsContact N-CD1 3.35Å; L100-F283 HydrophobicContact CB-CE1 4.33Å; L100-F283 HydrophobicContact CB-CZ 4.12Å; L100-F283 HydrophobicContact CD2-CE1 3.71Å; L100-F283 HydrophobicContact CD2-CZ 3.83Å; L100-F283 HydrophobicContact CG-CZ 4.46Å; L100-M292 HydrophobicContact CD2-CE 3.42Å; L100-M292 VanDerWaalsContact CD2-CE 3.42Å; L100-L296 HydrophobicContact CD1-CD2 4.04Å; L100-L296 HydrophobicContact CD2-CD2 4.41Å; L100-M299 HydrophobicContact CD2-CE 4.21Å; L100-M299 HydrophobicContact CD2-SD 3.9Å; L100-M299 HydrophobicContact CG-CE 4.27Å; L100-M299 HydrophobicContact CG-SD 4.48Å |
| 101 | V | 95.7 | Very high | 94.8 | Very high | 57 Ų | 57 | 42 Ų | 42 | 35% | 0.345 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -57.3 | -46.9 | 176.6 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | S97 A98 T103 L104 R105 M299 | S97-V101 WeakPolarHBondContact O-CG2 3.39Å; S97-V101 PolarHBondContact O-N 3.41Å; A98-V101 PolarHBondContact O-N 3.45Å; V101-T103 VanDerWaalsContact C-N 3.3Å; V101-T103 PolarHBondContact O-N 2.74Å; V101-L104 PolarHBondContact O-N 3.39Å; V101-R105 VanDerWaalsContact O-CB 3.28Å; V101-R105 WeakPolarHBondContact O-CB 3.09Å; V101-R105 PolarHBondContact O-N 3.48Å; V101-M299 HydrophobicContact CB-CE 4.36Å; V101-M299 HydrophobicContact CG2-CE 3.37Å |
| 102 | K | 94.6 | Very high | 94.8 | Very high | 51 Ų | 51 | 37.7 Ų | 37.7 | 22% | 0.222 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60 | -41.2 | 175.8 | -176.8 | 179.3 | 173.7 | -176 | 0 | 111.9 | D29 A98 V99 L100 F106 D140 | D29-K102 WeakPolarHBondContact OD2-CE 3.49Å; D29-K102 VanDerWaalsContact OD2-CG 3.29Å; D29-K102 WeakPolarHBondContact OD2-CG 3.41Å; A98-K102 PolarHBondContact O-N 3.29Å; A98-K102 VanDerWaalsContact O-N 3.13Å; V99-K102 PolarHBondContact O-N 3.38Å; L100-K102 VanDerWaalsContact C-N 3.31Å; L100-K102 PolarHBondContact O-N 3.37Å; K102-F106 WeakPolarHBondContact O-CB 3.42Å; K102-F106 PolarHBondContact O-N 3.24Å; K102-D140 VanDerWaalsContact NZ-CG 3.29Å; K102-D140 IonicContact NZ-OD1 2.8Å; K102-D140 PolarHBondContact NZ-OD1 2.93Å; K102-D140 IonicContact NZ-OD2 2.92Å; K102-D140 PolarHBondContact NZ-OD2 3.35Å |
| 103 | T | 95.4 | Very high | 94.8 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.031 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.2 | -49.8 | 177.9 | -62.9 | 0 | 0 | 0 | 0 | 111.9 | V99 L100 V101 F106 V107 L132 | V99-T103 WeakPolarHBondContact O-CB 3.46Å; V99-T103 PolarHBondContact O-N 3.28Å; V99-T103 PolarHBondContact O-OG1 3.28Å; L100-T103 WeakPolarHBondContact O-CA 3.42Å; L100-T103 WeakPolarHBondContact O-CB 3.27Å; L100-T103 PolarHBondContact O-N 3.22Å; L100-T103 VanDerWaalsContact O-N 3.09Å; V101-T103 VanDerWaalsContact C-N 3.3Å; V101-T103 PolarHBondContact O-N 2.74Å; T103-F106 WeakPolarHBondContact O-CB 3Å; T103-F106 PolarHBondContact O-N 3.07Å; T103-V107 WeakPolarHBondContact O-CG2 3.31Å; T103-V107 PolarHBondContact O-N 2.83Å; T103-L132 HydrophobicContact CG2-CB 3.41Å; T103-L132 VanDerWaalsContact CG2-CB 3.41Å; T103-L132 HydrophobicContact CG2-CD1 4.07Å; T103-L132 HydrophobicContact CG2-CG 4.38Å |
| 104 | L | 95.2 | Very high | 94.6 | Very high | 9 Ų | 9 | 45.7 Ų | 45.7 | 5% | 0.047 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.3 | -39.2 | 179.6 | -65.2 | -179 | 0 | 0 | 0 | 111.6 | L100 V101 F106 V107 K108 V125 L296 M299 F300 | L100-L104 HydrophobicContact CD1-CD1 4.46Å; L100-L104 HydrophobicContact CD1-CG 4.28Å; L100-L104 HydrophobicContact CG-CD1 4.29Å; L100-L104 HydrophobicContact CG-CG 4.45Å; L100-L104 WeakPolarHBondContact O-CG 3.31Å; L100-L104 PolarHBondContact O-N 2.93Å; V101-L104 PolarHBondContact O-N 3.39Å; L104-F106 VanDerWaalsContact C-N 3.35Å; L104-F106 PolarHBondContact O-N 3.44Å; L104-V107 PolarHBondContact O-N 3.33Å; L104-K108 WeakPolarHBondContact O-CB 3.42Å; L104-K108 PolarHBondContact O-N 2.92Å; L104-V125 HydrophobicContact CD2-CG1 4.1Å; L104-L296 HydrophobicContact CD1-CD2 4.18Å; L104-L296 HydrophobicContact CD2-CD2 4.18Å; L104-M299 HydrophobicContact CD1-CB 3.55Å; L104-M299 HydrophobicContact CD1-CE 4.08Å; L104-M299 HydrophobicContact CD1-CG 4.48Å; L104-M299 HydrophobicContact CD1-SD 4.17Å; L104-F300 HydrophobicContact CB-CD2 4.3Å; L104-F300 HydrophobicContact CD2-CD2 4.14Å |
| 105 | R | 93.7 | Very high | 94.5 | Very high | 116 Ų | 116 | 43.9 Ų | 43.9 | 44% | 0.438 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -58.8 | -46.6 | 172.7 | -176.4 | -175 | -61.1 | 127 | -0.7 | 111.5 | V101 K108 N109 | V101-R105 VanDerWaalsContact O-CB 3.28Å; V101-R105 WeakPolarHBondContact O-CB 3.09Å; V101-R105 PolarHBondContact O-N 3.48Å; R105-K108 PolarHBondContact O-N 2.97Å; R105-N109 WeakPolarHBondContact CG-ND2 3.35Å; R105-N109 WeakPolarHBondContact O-CB 3.4Å; R105-N109 VanDerWaalsContact O-CG 3.24Å; R105-N109 PolarHBondContact O-N 2.86Å; R105-N109 VanDerWaalsContact O-N 3.08Å; R105-N109 PolarHBondContact O-ND2 3.36Å |
| 106 | F | 93.8 | Very high | 94.5 | Very high | 5 Ų | 5 | 42.8 Ų | 42.8 | 2% | 0.022 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -54.7 | -54.6 | 174.4 | 156.6 | -98.9 | 0 | 0 | 0 | 110.5 | L26 K102 T103 L104 K108 N109 V110 K216 L220 | L26-F106 HydrophobicContact CB-CE2 4.13Å; L26-F106 HydrophobicContact CD2-CE2 3.79Å; L26-F106 HydrophobicContact CD2-CZ 3.7Å; L26-F106 WeakPolarHBondContact O-CE2 3.28Å; K102-F106 WeakPolarHBondContact O-CB 3.42Å; K102-F106 PolarHBondContact O-N 3.24Å; T103-F106 WeakPolarHBondContact O-CB 3Å; T103-F106 PolarHBondContact O-N 3.07Å; L104-F106 VanDerWaalsContact C-N 3.35Å; L104-F106 PolarHBondContact O-N 3.44Å; F106-K108 PolarHBondContact O-N 3.3Å; F106-N109 PolarHBondContact O-N 3.07Å; F106-N109 VanDerWaalsContact O-N 3.11Å; F106-V110 HydrophobicContact CD2-CG2 4.27Å; F106-V110 HydrophobicContact CE2-CG2 3.82Å; F106-V110 HydrophobicContact CZ-CG2 3.95Å; F106-V110 WeakPolarHBondContact O-CG2 3.37Å; F106-V110 PolarHBondContact O-N 2.98Å; F106-K216 HydrophobicContact CD1-CD 4.33Å; F106-K216 HydrophobicContact CE1-CB 3.82Å; F106-K216 HydrophobicContact CE1-CD 4.15Å; F106-K216 HydrophobicContact CE1-CG 4.45Å; F106-K216 HydrophobicContact CE2-CD 4.45Å; F106-K216 HydrophobicContact CZ-CB 3.68Å; F106-K216 HydrophobicContact CZ-CD 4.21Å; F106-L220 HydrophobicContact CE1-CD2 4.3Å |
| 107 | V | 94.9 | Very high | 94.4 | Very high | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.012 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.2 | -48.3 | -178.1 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | T103 L104 N109 V110 F113 V125 L132 L220 F300 | T103-V107 WeakPolarHBondContact O-CG2 3.31Å; T103-V107 PolarHBondContact O-N 2.83Å; L104-V107 PolarHBondContact O-N 3.33Å; V107-N109 PolarHBondContact O-N 2.93Å; V107-V110 PolarHBondContact O-N 3.49Å; V107-F113 HydrophobicContact CG1-CD1 3.98Å; V107-F113 HydrophobicContact CG1-CD2 3.97Å; V107-F113 HydrophobicContact CG1-CE1 3.76Å; V107-F113 HydrophobicContact CG1-CE2 3.71Å; V107-F113 HydrophobicContact CG1-CG 4.09Å; V107-F113 HydrophobicContact CG1-CZ 3.59Å; V107-V125 HydrophobicContact CG1-CG2 3.96Å; V107-L132 HydrophobicContact CG2-CD1 3.74Å; V107-L220 HydrophobicContact CB-CD1 4.43Å; V107-L220 HydrophobicContact CG1-CD1 3.71Å; V107-L220 HydrophobicContact CG1-CD2 4.32Å; V107-L220 HydrophobicContact CG2-CD1 3.9Å; V107-L220 HydrophobicContact CG2-CD2 4.34Å; V107-F300 HydrophobicContact CB-CE2 4.23Å; V107-F300 HydrophobicContact CG1-CE2 3.98Å; V107-F300 HydrophobicContact CG1-CZ 4.13Å |
| 108 | K | 92.3 | Very high | 94.3 | Very high | 95 Ų | 95 | 49 Ų | 49 | 41% | 0.413 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.8 | -28.2 | -179.7 | -169.4 | 169.5 | -177.7 | 166.3 | 0 | 113.1 | L104 R105 F106 R114 F300 | L104-K108 WeakPolarHBondContact O-CB 3.42Å; L104-K108 PolarHBondContact O-N 2.92Å; R105-K108 PolarHBondContact O-N 2.97Å; F106-K108 PolarHBondContact O-N 3.3Å; K108-R114 WeakPolarHBondContact O-CD 3.3Å; K108-R114 WeakPolarHBondContact O-CG 3.45Å; K108-F300 HydrophobicContact CB-CE2 3.9Å; K108-F300 HydrophobicContact CB-CZ 4.14Å; K108-F300 PolarHBondContact NZ-O 3.34Å |
| 109 | N | 91.4 | Very high | 94.2 | Very high | 63 Ų | 63 | 50.9 Ų | 50.9 | 34% | 0.337 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -92 | -3.8 | -177.5 | -72.3 | -20.2 | 0 | 0 | 0 | 114.4 | N28 R105 F106 V107 P111 | N28-N109 HydrophobicContact CB-CB 4.41Å; R105-N109 WeakPolarHBondContact CG-ND2 3.35Å; R105-N109 WeakPolarHBondContact O-CB 3.4Å; R105-N109 VanDerWaalsContact O-CG 3.24Å; R105-N109 PolarHBondContact O-N 2.86Å; R105-N109 VanDerWaalsContact O-N 3.08Å; R105-N109 PolarHBondContact O-ND2 3.36Å; F106-N109 PolarHBondContact O-N 3.07Å; F106-N109 VanDerWaalsContact O-N 3.11Å; V107-N109 PolarHBondContact O-N 2.93Å; N109-P111 VanDerWaalsContact O-CD 3.3Å; N109-P111 WeakPolarHBondContact O-CD 3.4Å |
| 110 | V | 93.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | trans | -75.4 | 115.7 | 175.6 | 173.4 | 0 | 0 | 0 | 0 | 109.4 | I25 L26 F106 V107 C112 F113 R114 L220 F221 | I25-V110 HydrophobicContact CG2-CG1 3.96Å; L26-V110 HydrophobicContact CD2-CG2 4.08Å; F106-V110 HydrophobicContact CD2-CG2 4.27Å; F106-V110 HydrophobicContact CE2-CG2 3.82Å; F106-V110 HydrophobicContact CZ-CG2 3.95Å; F106-V110 WeakPolarHBondContact O-CG2 3.37Å; F106-V110 PolarHBondContact O-N 2.98Å; V107-V110 PolarHBondContact O-N 3.49Å; V110-C112 WeakPolarHBondContact CG1-SG 3.14Å; V110-C112 PolarHBondContact O-N 3.41Å; V110-F113 HydrophobicContact CB-CB 3.87Å; V110-F113 HydrophobicContact CG1-CB 3.93Å; V110-F113 WeakPolarHBondContact O-CB 3.41Å; V110-F113 PolarHBondContact O-N 3.01Å; V110-R114 PolarHBondContact O-N 3.36Å; V110-L220 HydrophobicContact CG2-CD2 4.34Å; V110-F221 HydrophobicContact CG1-CZ 3.87Å | ||
| 111 | P | 91.6 | Very high | 94.1 | Very high | 54 Ų | 54 | 51.7 Ų | 51.7 | 35% | 0.351 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -59.5 | -45.5 | -173.8 | -28 | 38.8 | 0 | 0 | 0 | 113.9 | I25 N109 F113 R114 E115 | I25-P111 HydrophobicContact CG1-CG 4.4Å; N109-P111 VanDerWaalsContact O-CD 3.3Å; N109-P111 WeakPolarHBondContact O-CD 3.4Å; P111-F113 PolarHBondContact O-N 3.38Å; P111-R114 WeakPolarHBondContact O-CB 3.48Å; P111-R114 PolarHBondContact O-N 3.38Å; P111-E115 PolarHBondContact O-N 2.99Å |
| 112 | C | 92.3 | Very high | 94.1 | Very high | 14 Ų | 14 | 50.8 Ų | 50.8 | 10% | 0.095 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.3 | -18.5 | 177.7 | 51 | 0 | 0 | 0 | 0 | 113.8 | V110 F221 Y233 L237 | V110-C112 WeakPolarHBondContact CG1-SG 3.14Å; V110-C112 PolarHBondContact O-N 3.41Å; C112-F221 VanDerWaalsContact SG-CZ 3.55Å; C112-Y233 WeakPolarHBondContact CA-OH 3.19Å; C112-Y233 WeakPolarHBondContact CB-OH 3.47Å; C112-Y233 WeakPolarHBondContact O-CE1 3.27Å; C112-Y233 PolarHBondContact O-OH 3.43Å; C112-L237 HydrophobicContact CB-CD1 3.87Å; C112-L237 HydrophobicContact CB-CD2 3.82Å |
| 113 | F | 94.6 | Very high | 94.1 | Very high | 1 Ų | 1 | 50.6 Ų | 50.6 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -76.1 | -38.7 | 170.7 | -179.9 | -87.7 | 0 | 0 | 0 | 111 | V107 V110 P111 E115 L116 Q121 L124 V125 L220 F221 F300 | V107-F113 HydrophobicContact CG1-CD1 3.98Å; V107-F113 HydrophobicContact CG1-CD2 3.97Å; V107-F113 HydrophobicContact CG1-CE1 3.76Å; V107-F113 HydrophobicContact CG1-CE2 3.71Å; V107-F113 HydrophobicContact CG1-CG 4.09Å; V107-F113 HydrophobicContact CG1-CZ 3.59Å; V110-F113 HydrophobicContact CB-CB 3.87Å; V110-F113 HydrophobicContact CG1-CB 3.93Å; V110-F113 WeakPolarHBondContact O-CB 3.41Å; V110-F113 PolarHBondContact O-N 3.01Å; P111-F113 PolarHBondContact O-N 3.38Å; F113-E115 PolarHBondContact O-N 3.36Å; F113-L116 HydrophobicContact CD2-CD1 4.13Å; F113-L116 WeakPolarHBondContact O-CB 3.17Å; F113-L116 PolarHBondContact O-N 2.78Å; F113-L116 VanDerWaalsContact O-N 3.14Å; F113-Q121 HydrophobicContact CD1-CG 4.15Å; F113-Q121 HydrophobicContact CE1-CB 3.7Å; F113-Q121 HydrophobicContact CE1-CG 3.53Å; F113-Q121 HydrophobicContact CE2-CB 4.36Å; F113-Q121 HydrophobicContact CE2-CG 4.39Å; F113-Q121 HydrophobicContact CZ-CB 3.48Å; F113-Q121 VanDerWaalsContact CZ-CB 3.48Å; F113-Q121 HydrophobicContact CZ-CG 3.69Å; F113-L124 HydrophobicContact CD2-CD1 4.22Å; F113-L124 HydrophobicContact CE2-CB 4Å; F113-L124 HydrophobicContact CE2-CD1 3.9Å; F113-V125 HydrophobicContact CE2-CG2 4.45Å; F113-V125 HydrophobicContact CZ-CG2 3.79Å; F113-L220 HydrophobicContact CD2-CD1 3.87Å; F113-L220 HydrophobicContact CD2-CD2 4.1Å; F113-L220 HydrophobicContact CD2-CG 4.18Å; F113-L220 HydrophobicContact CE2-CD1 3.85Å; F113-F221 HydrophobicContact CB-CE1 4.3Å; F113-F221 HydrophobicContact CB-CZ 4.49Å; F113-F221 HydrophobicContact CD2-CE1 4.41Å; F113-F300 HydrophobicContact CE1-CE1 4.13Å; F113-F300 AromaticContact CE1-CZ 3.59Å; F113-F300 HydrophobicContact CE1-CZ 3.59Å; F113-F300 HydrophobicContact CZ-CZ 4.08Å |
| 114 | R | 93.3 | Very high | 94.2 | Very high | 175 Ų | 175 | 50.4 Ų | 50.4 | 66% | 0.66 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -67.2 | -19.3 | 179.4 | -63.9 | 174.4 | 62.7 | -175 | -1.7 | 113.7 | K108 V110 P111 L116 | K108-R114 WeakPolarHBondContact O-CD 3.3Å; K108-R114 WeakPolarHBondContact O-CG 3.45Å; V110-R114 PolarHBondContact O-N 3.36Å; P111-R114 WeakPolarHBondContact O-CB 3.48Å; P111-R114 PolarHBondContact O-N 3.38Å; R114-L116 VanDerWaalsContact C-N 3.27Å |
| 115 | E | 93.3 | Very high | 94.3 | Very high | 129 Ų | 129 | 50.2 Ų | 50.2 | 60% | 0.603 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -13.3 | 175.5 | -69.1 | 174.3 | -173.6 | 0 | 0 | 113.1 | P111 F113 Y233 | P111-E115 PolarHBondContact O-N 2.99Å; F113-E115 PolarHBondContact O-N 3.36Å; E115-Y233 PolarHBondContact OE2-OH 2.94Å |
| 116 | L | 94.9 | Very high | 94.3 | Very high | 7 Ų | 7 | 49.2 Ų | 49.2 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -77.1 | 152.1 | -179.9 | -65 | 171.4 | 0 | 0 | 0 | 111.8 | F113 R114 D120 Q121 L124 Y230 Y233 I234 | F113-L116 HydrophobicContact CD2-CD1 4.13Å; F113-L116 WeakPolarHBondContact O-CB 3.17Å; F113-L116 PolarHBondContact O-N 2.78Å; F113-L116 VanDerWaalsContact O-N 3.14Å; R114-L116 VanDerWaalsContact C-N 3.27Å; L116-D120 HydrophobicContact CB-CB 4.36Å; L116-Q121 HydrophobicContact CB-CG 3.81Å; L116-Q121 PolarHBondContact O-NE2 2.92Å; L116-L124 HydrophobicContact CD1-CD1 3.46Å; L116-L124 VanDerWaalsContact CD1-CD1 3.46Å; L116-Y230 HydrophobicContact CD2-CG 4.48Å; L116-Y233 HydrophobicContact CD2-CD1 3.58Å; L116-Y233 HydrophobicContact CD2-CE1 3.87Å; L116-Y233 HydrophobicContact CG-CE1 4.37Å; L116-I234 HydrophobicContact CD1-CD1 4.42Å; L116-I234 HydrophobicContact CD1-CG1 4.28Å; L116-I234 HydrophobicContact CD2-CD1 4.09Å; L116-I234 HydrophobicContact CD2-CG1 3.81Å |
| 117 | P | 95.1 | Very high | 94.4 | Very high | 33 Ų | 33 | 52.4 Ų | 52.4 | 21% | 0.214 | 25% | 0.251 | C | S | . | . | trans | -56.5 | 147.7 | 166.9 | -22.1 | 32.7 | 0 | 0 | 0 | 112 | D119 D120 Q121 Y230 | P117-D119 PolarHBondContact O-N 2.86Å; P117-D120 PolarHBondContact O-N 3.14Å; P117-Q121 WeakPolarHBondContact O-CG 3.49Å; P117-Q121 PolarHBondContact O-N 3.29Å; P117-Y230 HydrophobicContact CG-CD2 3.47Å; P117-Y230 VanDerWaalsContact CG-CD2 3.47Å; P117-Y230 HydrophobicContact CG-CE2 3.49Å; P117-Y230 VanDerWaalsContact CG-CE2 3.49Å; P117-Y230 HydrophobicContact CG-CG 4.45Å | ||
| 118 | E | 94.1 | Very high | 94.4 | Very high | 140 Ų | 140 | 52.5 Ų | 52.5 | 65% | 0.654 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -56.7 | -36.6 | -179.6 | -65.5 | -174.2 | 169.8 | 0 | 0 | 112.8 | D120 Q121 L122 | E118-D120 PolarHBondContact O-N 2.84Å; E118-Q121 PolarHBondContact O-N 3.45Å; E118-L122 WeakPolarHBondContact O-CB 3.3Å; E118-L122 PolarHBondContact O-N 3.18Å |
| 119 | D | 94.4 | Very high | 94.6 | Very high | 102 Ų | 102 | 48.6 Ų | 48.6 | 55% | 0.545 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.5 | -47.1 | 174.8 | -62.1 | -39.6 | 0 | 0 | 0 | 111.8 | P117 L122 L123 R229 | P117-D119 PolarHBondContact O-N 2.86Å; D119-L122 PolarHBondContact O-N 2.85Å; D119-L123 WeakPolarHBondContact O-CB 3.44Å; D119-L123 PolarHBondContact O-N 2.9Å; D119-R229 IonicContact OD2-NH1 3.61Å |
| 120 | D | 96.3 | Very high | 94.9 | Very high | 2 Ų | 2 | 45.6 Ų | 45.6 | 1% | 0.011 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -69.3 | -39.8 | 178.9 | -77.6 | 3.7 | 0 | 0 | 0 | 110.3 | L116 P117 E118 L123 L124 L228 R229 Y230 | L116-D120 HydrophobicContact CB-CB 4.36Å; P117-D120 PolarHBondContact O-N 3.14Å; E118-D120 PolarHBondContact O-N 2.84Å; D120-L123 PolarHBondContact O-N 3.24Å; D120-L124 WeakPolarHBondContact O-CB 3.17Å; D120-L124 VanDerWaalsContact O-CG 3.23Å; D120-L124 WeakPolarHBondContact O-CG 3.42Å; D120-L124 PolarHBondContact O-N 3.31Å; D120-L228 HydrophobicContact CB-CD2 4.19Å; D120-R229 PolarHBondContact OD1-N 3.16Å; D120-R229 PolarHBondContact OD2-N 2.97Å; D120-R229 VanDerWaalsContact OD2-N 3.17Å; D120-Y230 WeakPolarHBondContact OD2-CB 3.41Å; D120-Y230 PolarHBondContact OD2-N 3.48Å |
| 121 | Q | 96.2 | Very high | 95 | Very high | 25 Ų | 25 | 46.3 Ų | 46.3 | 12% | 0.117 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.9 | -49.5 | 174.9 | -69.5 | -173.8 | 34.7 | 0 | 0 | 111.3 | F113 L116 P117 E118 L123 L124 V125 | F113-Q121 HydrophobicContact CD1-CG 4.15Å; F113-Q121 HydrophobicContact CE1-CB 3.7Å; F113-Q121 HydrophobicContact CE1-CG 3.53Å; F113-Q121 HydrophobicContact CE2-CB 4.36Å; F113-Q121 HydrophobicContact CE2-CG 4.39Å; F113-Q121 HydrophobicContact CZ-CB 3.48Å; F113-Q121 VanDerWaalsContact CZ-CB 3.48Å; F113-Q121 HydrophobicContact CZ-CG 3.69Å; L116-Q121 HydrophobicContact CB-CG 3.81Å; L116-Q121 PolarHBondContact O-NE2 2.92Å; P117-Q121 WeakPolarHBondContact O-CG 3.49Å; P117-Q121 PolarHBondContact O-N 3.29Å; E118-Q121 PolarHBondContact O-N 3.45Å; Q121-L123 PolarHBondContact O-N 3.38Å; Q121-L124 PolarHBondContact O-N 2.97Å; Q121-V125 VanDerWaalsContact O-CG2 3.3Å; Q121-V125 WeakPolarHBondContact O-CG2 3.44Å; Q121-V125 PolarHBondContact O-N 3.5Å |
| 122 | L | 94.9 | Very high | 95.3 | Very high | 38 Ų | 38 | 43.8 Ų | 43.8 | 20% | 0.199 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.9 | -44.5 | 178.7 | 178.4 | 59.8 | 0 | 0 | 0 | 111.2 | E118 D119 L124 V125 R126 L297 Y301 | E118-L122 WeakPolarHBondContact O-CB 3.3Å; E118-L122 PolarHBondContact O-N 3.18Å; D119-L122 PolarHBondContact O-N 2.85Å; L122-L124 PolarHBondContact O-N 3Å; L122-V125 PolarHBondContact O-N 3.44Å; L122-R126 HydrophobicContact CD1-CG 4.1Å; L122-R126 HydrophobicContact CG-CG 4.47Å; L122-R126 WeakPolarHBondContact O-CB 3.37Å; L122-R126 WeakPolarHBondContact O-CG 3.34Å; L122-R126 PolarHBondContact O-N 2.8Å; L122-L297 HydrophobicContact CD1-CD1 3.64Å; L122-L297 HydrophobicContact CD2-CD1 4.35Å; L122-Y301 HydrophobicContact CD1-CE2 4.37Å |
| 123 | L | 95.8 | Very high | 95.6 | Very high | 47 Ų | 47 | 43.1 Ų | 43.1 | 25% | 0.246 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 178.8 | -174.8 | 61.5 | 0 | 0 | 0 | 111.5 | D119 D120 Q121 N127 L225 P226 L228 | D119-L123 WeakPolarHBondContact O-CB 3.44Å; D119-L123 PolarHBondContact O-N 2.9Å; D120-L123 PolarHBondContact O-N 3.24Å; Q121-L123 PolarHBondContact O-N 3.38Å; L123-N127 PolarHBondContact O-N 2.92Å; L123-N127 PolarHBondContact O-ND2 3.3Å; L123-L225 HydrophobicContact CD2-CB 4.15Å; L123-L225 HydrophobicContact CG-CB 4.38Å; L123-L225 HydrophobicContact CG-CD1 4.11Å; L123-P226 WeakPolarHBondContact CD2-O 3.41Å; L123-L228 HydrophobicContact CD2-CD2 3.81Å; L123-L228 HydrophobicContact CD2-CG 4.03Å; L123-L228 HydrophobicContact CG-CD2 4.48Å |
| 124 | L | 96.5 | Very high | 95.8 | Very high | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -63.1 | -48.4 | 175.3 | -69.4 | 174.2 | 0 | 0 | 0 | 111.2 | F113 L116 D120 Q121 L122 R126 N127 C128 L220 L225 L228 I234 | F113-L124 HydrophobicContact CD2-CD1 4.22Å; F113-L124 HydrophobicContact CE2-CB 4Å; F113-L124 HydrophobicContact CE2-CD1 3.9Å; L116-L124 HydrophobicContact CD1-CD1 3.46Å; L116-L124 VanDerWaalsContact CD1-CD1 3.46Å; D120-L124 WeakPolarHBondContact O-CB 3.17Å; D120-L124 VanDerWaalsContact O-CG 3.23Å; D120-L124 WeakPolarHBondContact O-CG 3.42Å; D120-L124 PolarHBondContact O-N 3.31Å; Q121-L124 PolarHBondContact O-N 2.97Å; L122-L124 PolarHBondContact O-N 3Å; L124-R126 PolarHBondContact O-N 3.22Å; L124-N127 PolarHBondContact O-N 3.15Å; L124-N127 VanDerWaalsContact O-N 3.15Å; L124-C128 WeakPolarHBondContact O-CB 3.39Å; L124-C128 PolarHBondContact O-N 3.46Å; L124-C128 PolarHBondContact O-SG 3.13Å; L124-L220 WeakPolarHBondContact CD2-O 3.41Å; L124-L225 HydrophobicContact CD2-CD1 3.95Å; L124-L228 HydrophobicContact CD2-CD2 4.36Å; L124-L228 HydrophobicContact CG-CD2 4.44Å; L124-I234 HydrophobicContact CD1-CD1 4.14Å; L124-I234 HydrophobicContact CD2-CG2 4.47Å |
| 125 | V | 96.2 | Very high | 96 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.03 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.3 | -47.4 | 179.9 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | L104 V107 F113 Q121 L122 N127 C128 W129 F300 | L104-V125 HydrophobicContact CD2-CG1 4.1Å; V107-V125 HydrophobicContact CG1-CG2 3.96Å; F113-V125 HydrophobicContact CE2-CG2 4.45Å; F113-V125 HydrophobicContact CZ-CG2 3.79Å; Q121-V125 VanDerWaalsContact O-CG2 3.3Å; Q121-V125 WeakPolarHBondContact O-CG2 3.44Å; Q121-V125 PolarHBondContact O-N 3.5Å; L122-V125 PolarHBondContact O-N 3.44Å; V125-N127 PolarHBondContact O-N 2.8Å; V125-C128 PolarHBondContact O-N 3.4Å; V125-W129 WeakPolarHBondContact O-CB 3.47Å; V125-W129 PolarHBondContact O-N 2.92Å; V125-F300 HydrophobicContact CG2-CD2 4.25Å; V125-F300 HydrophobicContact CG2-CE1 4.22Å; V125-F300 HydrophobicContact CG2-CE2 3.9Å; V125-F300 HydrophobicContact CG2-CZ 3.89Å |
| 126 | R | 94.9 | Very high | 96.2 | Very high | 95 Ų | 95 | 28.8 Ų | 28.8 | 36% | 0.358 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -57.4 | -30.9 | 177.5 | -79 | -178.4 | 167.8 | 167.2 | -3.9 | 113.3 | L122 L124 W129 E293 | L122-R126 HydrophobicContact CD1-CG 4.1Å; L122-R126 HydrophobicContact CG-CG 4.47Å; L122-R126 WeakPolarHBondContact O-CB 3.37Å; L122-R126 WeakPolarHBondContact O-CG 3.34Å; L122-R126 PolarHBondContact O-N 2.8Å; L124-R126 PolarHBondContact O-N 3.22Å; R126-W129 PolarHBondContact O-NE1 3.43Å; R126-E293 IonicContact CZ-OE2 3.48Å; R126-E293 IonicContact NE-OE2 3.3Å; R126-E293 PolarHBondContact NE-OE2 3.12Å; R126-E293 IonicContact NH2-OE2 3.58Å |
| 127 | N | 95.2 | Very high | 96.4 | Very high | 71 Ų | 71 | 28.4 Ų | 28.4 | 38% | 0.38 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -94.9 | -26.1 | -178.4 | -76.7 | -85.3 | 0 | 0 | 0 | 113.9 | L123 L124 V125 L225 | L123-N127 PolarHBondContact O-N 2.92Å; L123-N127 PolarHBondContact O-ND2 3.3Å; L124-N127 PolarHBondContact O-N 3.15Å; L124-N127 VanDerWaalsContact O-N 3.15Å; V125-N127 PolarHBondContact O-N 2.8Å; N127-L225 HydrophobicContact CB-CD1 3.73Å; N127-L225 HydrophobicContact CB-CD2 3.9Å; N127-L225 HydrophobicContact CB-CG 4.48Å; N127-L225 VanDerWaalsContact CG-CD2 3.5Å |
| 128 | C | 95.4 | Very high | 96.5 | Very high | 5 Ų | 5 | 26.9 Ų | 26.9 | 3% | 0.034 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -102.5 | -15.7 | -173.6 | 75.3 | 0 | 0 | 0 | 0 | 114.7 | L124 V125 A130 P131 L132 V219 | L124-C128 WeakPolarHBondContact O-CB 3.39Å; L124-C128 PolarHBondContact O-N 3.46Å; L124-C128 PolarHBondContact O-SG 3.13Å; V125-C128 PolarHBondContact O-N 3.4Å; C128-A130 PolarHBondContact O-N 3.09Å; C128-P131 WeakPolarHBondContact O-CD 3.23Å; C128-L132 HydrophobicContact CB-CD1 4.03Å; C128-L132 HydrophobicContact CB-CG 4.3Å; C128-L132 VanDerWaalsContact O-CB 3.3Å; C128-L132 WeakPolarHBondContact O-CB 3.29Å; C128-L132 VanDerWaalsContact O-CG 3.24Å; C128-L132 WeakPolarHBondContact O-CG 3.38Å; C128-L132 PolarHBondContact O-N 3.23Å; C128-L132 VanDerWaalsContact SG-CD1 3.55Å; C128-V219 HydrophobicContact CB-CG1 4.24Å |
| 129 | W | 96.3 | Very high | 96.6 | Very high | 12 Ų | 12 | 22.4 Ų | 22.4 | 5% | 0.045 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.4 | -45.5 | -174.2 | 73.4 | -89.1 | 0 | 0 | 0 | 113.1 | L100 V125 R126 L132 L133 P275 V278 A279 F283 M292 L296 | L100-W129 HydrophobicContact CD1-CE3 4.23Å; V125-W129 WeakPolarHBondContact O-CB 3.47Å; V125-W129 PolarHBondContact O-N 2.92Å; R126-W129 PolarHBondContact O-NE1 3.43Å; W129-L132 PolarHBondContact O-N 3.42Å; W129-L133 HydrophobicContact CZ3-CD2 4.32Å; W129-L133 WeakPolarHBondContact O-CB 3.48Å; W129-L133 PolarHBondContact O-N 2.87Å; W129-P275 HydrophobicContact CZ2-CB 3.82Å; W129-V278 HydrophobicContact CH2-CB 4.25Å; W129-V278 HydrophobicContact CH2-CG1 3.98Å; W129-V278 HydrophobicContact CZ3-CG1 3.78Å; W129-A279 HydrophobicContact CH2-CB 4Å; W129-A279 HydrophobicContact CZ2-CB 4.43Å; W129-F283 HydrophobicContact CZ3-CD2 4.32Å; W129-F283 AromaticContact CZ3-CE2 3.92Å; W129-F283 HydrophobicContact CZ3-CE2 3.92Å; W129-M292 HydrophobicContact CE3-CE 4.1Å; W129-M292 HydrophobicContact CH2-CE 4.28Å; W129-M292 HydrophobicContact CH2-CG 3.76Å; W129-M292 HydrophobicContact CH2-SD 4.45Å; W129-M292 HydrophobicContact CZ2-CG 3.78Å; W129-M292 HydrophobicContact CZ3-CE 3.86Å; W129-M292 HydrophobicContact CZ3-CG 4.28Å; W129-L296 HydrophobicContact CB-CD1 4.19Å; W129-L296 HydrophobicContact CB-CD2 3.95Å; W129-L296 HydrophobicContact CD2-CD1 3.78Å; W129-L296 HydrophobicContact CD2-CD2 4.25Å; W129-L296 HydrophobicContact CG-CD1 3.51Å; W129-L296 HydrophobicContact CG-CD2 4.01Å; W129-L296 HydrophobicContact CG-CG 4.42Å |
| 130 | A | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -70.8 | -49.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | C128 L132 L133 V134 P275 V278 | C128-A130 PolarHBondContact O-N 3.09Å; A130-L132 VanDerWaalsContact C-N 3.33Å; A130-L132 PolarHBondContact O-N 3.09Å; A130-L133 WeakPolarHBondContact O-CB 3.05Å; A130-L133 PolarHBondContact O-N 3.18Å; A130-V134 WeakPolarHBondContact O-CG2 3.12Å; A130-V134 PolarHBondContact O-N 2.87Å; A130-P275 HydrophobicContact CB-CB 3.75Å; A130-P275 HydrophobicContact CB-CG 4.1Å; A130-V278 HydrophobicContact CB-CB 4.11Å; A130-V278 HydrophobicContact CB-CG1 4.18Å; A130-V278 HydrophobicContact CB-CG2 4.18Å |
| 131 | P | 97.4 | Very high | 96.6 | Very high | 16 Ų | 16 | 26.4 Ų | 26.4 | 10% | 0.104 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -52.4 | -46.4 | 169.2 | -32.5 | 38.5 | 0 | 0 | 0 | 113.7 | C128 V134 L135 V219 L270 | C128-P131 WeakPolarHBondContact O-CD 3.23Å; P131-V134 PolarHBondContact O-N 2.86Å; P131-L135 WeakPolarHBondContact O-CB 3.33Å; P131-L135 PolarHBondContact O-N 3.2Å; P131-V219 HydrophobicContact CB-CG1 3.63Å; P131-L270 HydrophobicContact CB-CD1 4.35Å; P131-L270 HydrophobicContact CB-CD2 4.18Å; P131-L270 HydrophobicContact CB-CG 3.94Å; P131-L270 WeakPolarHBondContact O-CD1 3.39Å |
| 132 | L | 97.6 | Very high | 96.6 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.5 | -37 | -180 | -70.5 | 176.4 | 0 | 0 | 0 | 112.4 | T103 V107 C128 W129 A130 L135 G136 K216 V219 | T103-L132 HydrophobicContact CG2-CB 3.41Å; T103-L132 VanDerWaalsContact CG2-CB 3.41Å; T103-L132 HydrophobicContact CG2-CD1 4.07Å; T103-L132 HydrophobicContact CG2-CG 4.38Å; V107-L132 HydrophobicContact CG2-CD1 3.74Å; C128-L132 HydrophobicContact CB-CD1 4.03Å; C128-L132 HydrophobicContact CB-CG 4.3Å; C128-L132 VanDerWaalsContact O-CB 3.3Å; C128-L132 WeakPolarHBondContact O-CB 3.29Å; C128-L132 VanDerWaalsContact O-CG 3.24Å; C128-L132 WeakPolarHBondContact O-CG 3.38Å; C128-L132 PolarHBondContact O-N 3.23Å; C128-L132 VanDerWaalsContact SG-CD1 3.55Å; W129-L132 PolarHBondContact O-N 3.42Å; A130-L132 VanDerWaalsContact C-N 3.33Å; A130-L132 PolarHBondContact O-N 3.09Å; L132-L135 PolarHBondContact O-N 3.36Å; L132-G136 PolarHBondContact O-N 2.92Å; L132-K216 HydrophobicContact CD2-CB 3.9Å; L132-K216 HydrophobicContact CD2-CG 3.88Å; L132-V219 HydrophobicContact CD2-CB 3.86Å; L132-V219 HydrophobicContact CD2-CG1 3.71Å; L132-V219 HydrophobicContact CG-CB 4.48Å; L132-V219 HydrophobicContact CG-CG1 3.8Å |
| 133 | L | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.5 | -49.8 | 174.7 | -179.7 | 79.6 | 0 | 0 | 0 | 111.3 | A96 V99 L100 W129 A130 L135 G136 F137 V278 F283 | A96-L133 WeakPolarHBondContact O-CD1 3.37Å; V99-L133 HydrophobicContact CB-CD1 3.97Å; V99-L133 HydrophobicContact CG1-CD1 3.88Å; L100-L133 HydrophobicContact CB-CD1 3.75Å; L100-L133 HydrophobicContact CD1-CD1 4.29Å; L100-L133 VanDerWaalsContact N-CD1 3.35Å; W129-L133 HydrophobicContact CZ3-CD2 4.32Å; W129-L133 WeakPolarHBondContact O-CB 3.48Å; W129-L133 PolarHBondContact O-N 2.87Å; A130-L133 WeakPolarHBondContact O-CB 3.05Å; A130-L133 PolarHBondContact O-N 3.18Å; L133-L135 VanDerWaalsContact C-N 3.31Å; L133-L135 PolarHBondContact O-N 3.38Å; L133-G136 CarbonylContact O-C 3.5Å; L133-G136 VanDerWaalsContact O-CA 3.26Å; L133-G136 WeakPolarHBondContact O-CA 3.32Å; L133-G136 PolarHBondContact O-N 2.95Å; L133-F137 HydrophobicContact CD1-CE1 4.41Å; L133-F137 HydrophobicContact CD2-CZ 4.28Å; L133-F137 HydrophobicContact CG-CE1 4.4Å; L133-F137 HydrophobicContact CG-CZ 4.21Å; L133-F137 PolarHBondContact O-N 2.85Å; L133-V278 HydrophobicContact CD2-CG1 3.59Å; L133-F283 HydrophobicContact CD1-CZ 4.26Å; L133-F283 HydrophobicContact CD2-CE2 3.43Å; L133-F283 VanDerWaalsContact CD2-CE2 3.43Å; L133-F283 HydrophobicContact CD2-CZ 3.63Å |
| 134 | V | 98.2 | Very high | 96.4 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.1 | -35.8 | -179 | 177.9 | 0 | 0 | 0 | 0 | 111 | A130 P131 G136 F137 A138 I195 F198 L199 L270 I273 V278 | A130-V134 WeakPolarHBondContact O-CG2 3.12Å; A130-V134 PolarHBondContact O-N 2.87Å; P131-V134 PolarHBondContact O-N 2.86Å; V134-G136 VanDerWaalsContact C-N 3.27Å; V134-G136 PolarHBondContact O-N 2.79Å; V134-F137 WeakPolarHBondContact O-CB 3.25Å; V134-F137 PolarHBondContact O-N 3.45Å; V134-A138 PolarHBondContact O-N 2.91Å; V134-A138 VanDerWaalsContact O-N 3.12Å; V134-I195 HydrophobicContact CG1-CG2 4.07Å; V134-F198 HydrophobicContact CG1-CD1 3.53Å; V134-F198 HydrophobicContact CG1-CE1 3.69Å; V134-L199 HydrophobicContact CG1-CD2 4.26Å; V134-L270 HydrophobicContact CB-CD1 4.03Å; V134-L270 HydrophobicContact CG1-CD1 4.13Å; V134-I273 HydrophobicContact CB-CD1 4.5Å; V134-I273 HydrophobicContact CG1-CD1 3.81Å; V134-I273 HydrophobicContact CG2-CG2 4.4Å; V134-V278 HydrophobicContact CG2-CG2 3.88Å |
| 135 | L | 98.1 | Very high | 96.1 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63 | -36.6 | 169.3 | -172.1 | 68.2 | 0 | 0 | 0 | 111.6 | P131 L132 L133 A138 Q139 F198 Y212 I215 K216 L270 | P131-L135 WeakPolarHBondContact O-CB 3.33Å; P131-L135 PolarHBondContact O-N 3.2Å; L132-L135 PolarHBondContact O-N 3.36Å; L133-L135 VanDerWaalsContact C-N 3.31Å; L133-L135 PolarHBondContact O-N 3.38Å; L135-A138 WeakPolarHBondContact O-CB 3.29Å; L135-A138 PolarHBondContact O-N 3.39Å; L135-Q139 PolarHBondContact O-N 2.97Å; L135-F198 HydrophobicContact CD1-CZ 3.87Å; L135-Y212 HydrophobicContact CD1-CD1 3.73Å; L135-Y212 HydrophobicContact CD1-CE1 3.62Å; L135-Y212 HydrophobicContact CD2-CD1 4.49Å; L135-Y212 HydrophobicContact CG-CD1 3.91Å; L135-Y212 HydrophobicContact CG-CE1 4.12Å; L135-I215 HydrophobicContact CD1-CG2 4.02Å; L135-I215 HydrophobicContact CD2-CB 4.19Å; L135-I215 HydrophobicContact CD2-CG2 3.59Å; L135-I215 HydrophobicContact CG-CG2 4.49Å; L135-K216 HydrophobicContact CD2-CB 4.5Å; L135-K216 HydrophobicContact CD2-CG 3.62Å; L135-L270 HydrophobicContact CB-CD2 4.05Å; L135-L270 HydrophobicContact CD1-CD2 4.38Å; L135-L270 HydrophobicContact CD2-CD2 4.49Å |
| 136 | G | 97.8 | Very high | 95.9 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 2% | 0.021 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.2 | -41.7 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113 | L132 L133 V134 A138 Q139 D140 | L132-G136 PolarHBondContact O-N 2.92Å; L133-G136 CarbonylContact O-C 3.5Å; L133-G136 VanDerWaalsContact O-CA 3.26Å; L133-G136 WeakPolarHBondContact O-CA 3.32Å; L133-G136 PolarHBondContact O-N 2.95Å; V134-G136 VanDerWaalsContact C-N 3.27Å; V134-G136 PolarHBondContact O-N 2.79Å; G136-A138 VanDerWaalsContact C-N 3.32Å; G136-A138 PolarHBondContact O-N 3.47Å; G136-Q139 PolarHBondContact O-N 2.87Å; G136-D140 WeakPolarHBondContact O-CB 3.35Å; G136-D140 PolarHBondContact O-N 3.42Å |
| 137 | F | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.7 | -43.5 | 171.3 | -70 | -15.4 | 0 | 0 | 0 | 112.4 | A96 V99 L133 V134 Q139 R141 V142 L199 F282 | A96-F137 HydrophobicContact CB-CE1 4.14Å; A96-F137 HydrophobicContact CB-CZ 3.63Å; V99-F137 HydrophobicContact CB-CD1 4.17Å; V99-F137 HydrophobicContact CB-CE1 4.01Å; V99-F137 HydrophobicContact CG1-CD1 4.11Å; V99-F137 HydrophobicContact CG1-CE1 4.33Å; V99-F137 HydrophobicContact CG2-CD1 4Å; V99-F137 HydrophobicContact CG2-CE1 4.07Å; L133-F137 HydrophobicContact CD1-CE1 4.41Å; L133-F137 HydrophobicContact CD2-CZ 4.28Å; L133-F137 HydrophobicContact CG-CE1 4.4Å; L133-F137 HydrophobicContact CG-CZ 4.21Å; L133-F137 PolarHBondContact O-N 2.85Å; V134-F137 WeakPolarHBondContact O-CB 3.25Å; V134-F137 PolarHBondContact O-N 3.45Å; F137-Q139 VanDerWaalsContact C-N 3.31Å; F137-Q139 PolarHBondContact O-N 3.44Å; F137-R141 WeakPolarHBondContact O-CA 3.44Å; F137-R141 PolarHBondContact O-N 3.44Å; F137-V142 HydrophobicContact CB-CB 4.04Å; F137-V142 HydrophobicContact CD1-CB 3.84Å; F137-V142 HydrophobicContact CD1-CG1 4.02Å; F137-V142 HydrophobicContact CD1-CG2 3.99Å; F137-V142 HydrophobicContact CE1-CG1 4.3Å; F137-V142 HydrophobicContact CG-CB 4.09Å; F137-V142 HydrophobicContact CG-CG1 4.34Å; F137-V142 PolarHBondContact O-N 2.83Å; F137-L199 HydrophobicContact CB-CD2 3.75Å; F137-F282 HydrophobicContact CD2-CZ 4.41Å; F137-F282 HydrophobicContact CE2-CD1 4.13Å; F137-F282 HydrophobicContact CE2-CD2 4.08Å; F137-F282 AromaticContact CE2-CE1 3.88Å; F137-F282 HydrophobicContact CE2-CE1 3.88Å; F137-F282 AromaticContact CE2-CE2 3.82Å; F137-F282 HydrophobicContact CE2-CE2 3.82Å; F137-F282 HydrophobicContact CE2-CG 4.22Å; F137-F282 AromaticContact CE2-CZ 3.72Å; F137-F282 HydrophobicContact CE2-CZ 3.72Å; F137-F282 HydrophobicContact CZ-CD1 4.34Å; F137-F282 HydrophobicContact CZ-CE1 4.46Å; F137-F282 HydrophobicContact CZ-CG 4.41Å |
| 138 | A | 97.7 | Very high | 95 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -62.1 | -42.5 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | V134 L135 G136 R141 F198 L199 C202 W203 Y212 | V134-A138 PolarHBondContact O-N 2.91Å; V134-A138 VanDerWaalsContact O-N 3.12Å; L135-A138 WeakPolarHBondContact O-CB 3.29Å; L135-A138 PolarHBondContact O-N 3.39Å; G136-A138 VanDerWaalsContact C-N 3.32Å; G136-A138 PolarHBondContact O-N 3.47Å; A138-R141 PolarHBondContact O-NH1 3.5Å; A138-F198 HydrophobicContact CB-CE1 4.15Å; A138-L199 HydrophobicContact CB-CD2 3.83Å; A138-C202 HydrophobicContact CB-CB 3.61Å; A138-W203 PolarHBondContact O-NE1 2.89Å; A138-Y212 HydrophobicContact CB-CE1 4.23Å; A138-Y212 PolarHBondContact O-OH 3.23Å |
| 139 | Q | 97.1 | Very high | 93.8 | Very high | 47 Ų | 47 | 35.9 Ų | 35.9 | 22% | 0.22 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -68.7 | -43.2 | -179.2 | -173.6 | 175.3 | 1.2 | 0 | 0 | 112.5 | L135 G136 F137 R141 Y212 | L135-Q139 PolarHBondContact O-N 2.97Å; G136-Q139 PolarHBondContact O-N 2.87Å; F137-Q139 VanDerWaalsContact C-N 3.31Å; F137-Q139 PolarHBondContact O-N 3.44Å; Q139-R141 VanDerWaalsContact C-N 3.27Å; Q139-R141 PolarHBondContact O-N 3.39Å; Q139-Y212 HydrophobicContact CB-CD1 4.04Å; Q139-Y212 HydrophobicContact CB-CD2 4.18Å; Q139-Y212 HydrophobicContact CB-CE1 3.94Å; Q139-Y212 HydrophobicContact CB-CE2 4.06Å; Q139-Y212 HydrophobicContact CB-CG 4.17Å; Q139-Y212 HydrophobicContact CG-CD1 4.42Å; Q139-Y212 HydrophobicContact CG-CD2 3.87Å; Q139-Y212 HydrophobicContact CG-CE2 4.1Å; Q139-Y212 HydrophobicContact CG-CG 4.05Å |
| 140 | D | 96.3 | Very high | 92.2 | Very high | 69 Ų | 69 | 39.9 Ų | 39.9 | 37% | 0.369 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | 6.9 | -177.6 | -66.4 | -8.2 | 0 | 0 | 0 | 112.3 | K102 G136 V142 | K102-D140 VanDerWaalsContact NZ-CG 3.29Å; K102-D140 IonicContact NZ-OD1 2.8Å; K102-D140 PolarHBondContact NZ-OD1 2.93Å; K102-D140 IonicContact NZ-OD2 2.92Å; K102-D140 PolarHBondContact NZ-OD2 3.35Å; G136-D140 WeakPolarHBondContact O-CB 3.35Å; G136-D140 PolarHBondContact O-N 3.42Å; D140-V142 VanDerWaalsContact C-N 3.27Å; D140-V142 HydrophobicContact CB-CG2 4.23Å; D140-V142 PolarHBondContact O-N 2.93Å |
| 141 | R | 94.8 | Very high | 90.3 | Very high | 118 Ų | 118 | 42.6 Ų | 42.6 | 45% | 0.445 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 39.2 | 179.8 | -60 | -61.9 | -158.8 | -128.5 | 11.7 | 113.2 | F137 A138 Q139 D143 D206 | F137-R141 WeakPolarHBondContact O-CA 3.44Å; F137-R141 PolarHBondContact O-N 3.44Å; A138-R141 PolarHBondContact O-NH1 3.5Å; Q139-R141 VanDerWaalsContact C-N 3.27Å; Q139-R141 PolarHBondContact O-N 3.39Å; R141-D143 PolarHBondContact O-N 3.25Å; R141-D206 IonicContact NH2-OD1 3.9Å |
| 142 | V | 94.6 | Very high | 88.4 | Confident | 23 Ų | 23 | 44.3 Ų | 44.3 | 14% | 0.139 | 24% | 0.239 | C | C | . | . | trans | -77.1 | 113.6 | 174.2 | -178.2 | 0 | 0 | 0 | 0 | 108.9 | A95 V99 F137 D140 | A95-V142 HydrophobicContact CB-CG1 4.22Å; V99-V142 HydrophobicContact CG2-CG2 4.4Å; F137-V142 HydrophobicContact CB-CB 4.04Å; F137-V142 HydrophobicContact CD1-CB 3.84Å; F137-V142 HydrophobicContact CD1-CG1 4.02Å; F137-V142 HydrophobicContact CD1-CG2 3.99Å; F137-V142 HydrophobicContact CE1-CG1 4.3Å; F137-V142 HydrophobicContact CG-CB 4.09Å; F137-V142 HydrophobicContact CG-CG1 4.34Å; F137-V142 PolarHBondContact O-N 2.83Å; D140-V142 VanDerWaalsContact C-N 3.27Å; D140-V142 HydrophobicContact CB-CG2 4.23Å; D140-V142 PolarHBondContact O-N 2.93Å | ||
| 143 | D | 92.6 | Very high | 86.8 | Confident | 99 Ų | 99 | 46.6 Ų | 46.6 | 53% | 0.529 | 26% | 0.255 | S | S | . | . | trans | -105.5 | 158.7 | 168.3 | -162.1 | 10.5 | 0 | 0 | 0 | 110.4 | R141 W203 | R141-D143 PolarHBondContact O-N 3.25Å; D143-W203 HydrophobicContact CB-CH2 3.76Å; D143-W203 HydrophobicContact CB-CZ3 4.43Å | ||
| 144 | F | 94.1 | Very high | 85.1 | Confident | 5 Ų | 5 | 52.9 Ų | 52.9 | 2% | 0.022 | 29% | 0.286 | C | S | . | . | trans | -147.5 | 144.9 | 180 | 61.2 | -90.2 | 0 | 0 | 0 | 112.5 | L86 T92 I146 I192 I195 K196 L199 L281 F282 | L86-F144 HydrophobicContact CD2-CB 4.2Å; L86-F144 HydrophobicContact CD2-CD2 3.67Å; L86-F144 HydrophobicContact CD2-CE2 4.41Å; L86-F144 HydrophobicContact CD2-CG 4.18Å; T92-F144 HydrophobicContact CG2-CB 3.59Å; T92-F144 HydrophobicContact CG2-CG 4.28Å; F144-I146 HydrophobicContact CD2-CG1 4.21Å; F144-I146 HydrophobicContact CE2-CD1 4.37Å; F144-I146 HydrophobicContact CE2-CG1 4.15Å; F144-I192 HydrophobicContact CE2-CG2 3.71Å; F144-I192 HydrophobicContact CZ-CG2 4.26Å; F144-I195 HydrophobicContact CE1-CG2 4.02Å; F144-I195 HydrophobicContact CZ-CB 4.41Å; F144-I195 HydrophobicContact CZ-CG2 3.86Å; F144-K196 HydrophobicContact CE2-CD 4.49Å; F144-K196 HydrophobicContact CE2-CG 4.15Å; F144-K196 HydrophobicContact CZ-CG 3.89Å; F144-K196 WeakPolarHBondContact O-CE 3.2Å; F144-K196 PolarHBondContact O-NZ 3.32Å; F144-L199 HydrophobicContact CD1-CD1 4.31Å; F144-L199 HydrophobicContact CE1-CD1 3.72Å; F144-L281 HydrophobicContact CE2-CD2 4.14Å; F144-L281 HydrophobicContact CZ-CD2 4.47Å; F144-F282 AromaticContact CD1-CE1 3.98Å; F144-F282 HydrophobicContact CD1-CE1 3.98Å; F144-F282 HydrophobicContact CD1-CZ 4.05Å; F144-F282 HydrophobicContact CD2-CE1 4.39Å; F144-F282 HydrophobicContact CE1-CE1 4.07Å; F144-F282 AromaticContact CE1-CZ 3.65Å; F144-F282 HydrophobicContact CE1-CZ 3.65Å; F144-F282 HydrophobicContact CE2-CE1 4.47Å; F144-F282 HydrophobicContact CE2-CZ 4.23Å; F144-F282 HydrophobicContact CG-CE1 4.16Å; F144-F282 HydrophobicContact CZ-CE1 4.33Å; F144-F282 AromaticContact CZ-CZ 3.76Å; F144-F282 HydrophobicContact CZ-CZ 3.76Å | ||
| 145 | E | 91.5 | Very high | 83.6 | Confident | 103 Ų | 103 | 58.6 Ų | 58.6 | 48% | 0.481 | 32% | 0.316 | S | S | . | . | trans | -97.6 | 150.1 | 177.6 | -65.9 | -174.4 | -173.2 | 0 | 0 | 111.5 | R87 | R87-E145 HydrophobicContact CB-CB 3.8Å; R87-E145 WeakPolarHBondContact CD-OE2 3.33Å; R87-E145 IonicContact CZ-OE2 3.11Å; R87-E145 PolarHBondContact N-O 2.92Å; R87-E145 IonicContact NE-OE2 2.88Å; R87-E145 IonicContact NH1-OE2 3.76Å; R87-E145 PolarHBondContact NH1-OE2 3.21Å | ||
| 146 | I | 90.8 | Very high | 81.9 | Confident | 35 Ų | 35 | 63.1 Ų | 63.1 | 18% | 0.179 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 141.1 | -176.9 | -51.8 | 155.3 | 0 | 0 | 0 | 108 | S85 F144 I192 K196 | S85-I146 CarbonylContact O-C 3.5Å; S85-I146 VanDerWaalsContact O-CA 3.25Å; S85-I146 WeakPolarHBondContact O-CA 3.37Å; S85-I146 VanDerWaalsContact O-CG2 3.3Å; S85-I146 WeakPolarHBondContact O-CG2 3.44Å; F144-I146 HydrophobicContact CD2-CG1 4.21Å; F144-I146 HydrophobicContact CE2-CD1 4.37Å; F144-I146 HydrophobicContact CE2-CG1 4.15Å; I146-I192 HydrophobicContact CD1-CB 4.03Å; I146-I192 HydrophobicContact CD1-CG2 3.2Å; I146-I192 HydrophobicContact CG1-CG2 3.81Å; I146-I192 HydrophobicContact CG2-CD1 4.07Å; I146-K196 HydrophobicContact CD1-CD 3.76Å; I146-K196 VanDerWaalsContact CD1-CE 3.41Å |
| 147 | T | 87.4 | Confident | 80.5 | Confident | 64 Ų | 64 | 68.4 Ų | 68.4 | 39% | 0.393 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 124.9 | 165.6 | -58.7 | 0 | 0 | 0 | 0 | 108.4 | G84 S85 T149 | G84-T147 WeakPolarHBondContact CA-O 3.37Å; S85-T147 PolarHBondContact N-O 2.88Å; S85-T147 PolarHBondContact O-N 3.21Å; T147-T149 PolarHBondContact O-N 2.92Å |
| 148 | E | 83.8 | Confident | 79.3 | Confident | 110 Ų | 110 | 74.4 Ų | 74.4 | 51% | 0.514 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 120.9 | 174.1 | -71.9 | -172.7 | -160.6 | 0 | 0 | 109.3 | R82 L189 | R82-E148 IonicContact NH1-OE2 3.37Å; R82-E148 PolarHBondContact NH1-OE2 2.96Å; E148-L189 HydrophobicContact CG-CD1 4.49Å; E148-L189 HydrophobicContact CG-CD2 4.47Å |
| 149 | T | 70.3 | Confident | 77.8 | Confident | 48 Ų | 48 | 81.3 Ų | 81.3 | 29% | 0.294 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 104.7 | 170.7 | 54.1 | 0 | 0 | 0 | 0 | 107.3 | R83 T147 E151 | R83-T149 PolarHBondContact O-N 3.18Å; R83-T149 PolarHBondContact O-OG1 3.15Å; T147-T149 PolarHBondContact O-N 2.92Å; T149-E151 PolarHBondContact O-N 3.3Å; T149-E151 VanDerWaalsContact O-N 3.08Å |
| 150 | A | 62.3 | Low | 76.4 | Confident | 96 Ų | 96 | 84.3 Ų | 84.3 | 79% | 0.793 | 45% | 0.445 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 97.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||
| 151 | E | 58.5 | Low | 74 | Confident | 58 Ų | 58 | 83 Ų | 83 | 27% | 0.271 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 126.9 | 168.5 | -76.7 | -98 | 154.7 | 0 | 0 | 108.1 | T149 S153 | T149-E151 PolarHBondContact O-N 3.3Å; T149-E151 VanDerWaalsContact O-N 3.08Å; E151-S153 PolarHBondContact O-N 3.46Å |
| 152 | P | 58.1 | Low | 71.9 | Confident | 52 Ų | 52 | 81.2 Ų | 81.2 | 34% | 0.338 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 138 | 174.3 | 22.7 | -30.9 | 0 | 0 | 0 | 108.7 | Q156 R157 | P152-Q156 HydrophobicContact CB-CB 3.83Å; P152-Q156 HydrophobicContact CB-CG 3.6Å; P152-R157 HydrophobicContact CB-CG 4.42Å; P152-R157 HydrophobicContact CG-CG 3.97Å |
| 153 | S | 63.1 | Low | 69.8 | Low | 48 Ų | 48 | 84.8 Ų | 84.8 | 34% | 0.336 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -52.6 | 154.1 | 179.4 | 68.9 | 0 | 0 | 0 | 0 | 110.7 | E151 L155 Q156 R157 | E151-S153 PolarHBondContact O-N 3.46Å; S153-L155 PolarHBondContact O-N 2.91Å; S153-L155 VanDerWaalsContact O-N 3.12Å; S153-Q156 CarbonylContact O-C 3.48Å; S153-Q156 WeakPolarHBondContact O-CA 3.32Å; S153-Q156 WeakPolarHBondContact O-CB 3.49Å; S153-Q156 PolarHBondContact O-N 3.06Å; S153-Q156 WeakPolarHBondContact OG-CB 3.22Å; S153-Q156 PolarHBondContact OG-N 3.33Å; S153-R157 PolarHBondContact O-N 3.3Å |
| 154 | M | 63.1 | Low | 67.5 | Low | 132 Ų | 132 | 83.9 Ų | 83.9 | 65% | 0.65 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -54.2 | -36.2 | 176.8 | -65.1 | -159.9 | -50.7 | 0 | 0 | 111.4 | R157 I158 | M154-R157 PolarHBondContact O-N 2.87Å; M154-I158 WeakPolarHBondContact O-CD1 3.47Å; M154-I158 VanDerWaalsContact O-CG1 3.24Å; M154-I158 WeakPolarHBondContact O-CG1 3.49Å; M154-I158 PolarHBondContact O-N 3.3Å |
| 155 | L | 65.6 | Low | 65.2 | Low | 121 Ų | 121 | 88.1 Ų | 88.1 | 63% | 0.634 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.7 | -45.7 | 171.2 | -71.2 | 175.9 | 0 | 0 | 0 | 111.9 | S153 R157 I158 L159 | S153-L155 PolarHBondContact O-N 2.91Å; S153-L155 VanDerWaalsContact O-N 3.12Å; L155-R157 VanDerWaalsContact C-N 3.31Å; L155-R157 PolarHBondContact O-N 3.01Å; L155-I158 PolarHBondContact O-N 2.8Å; L155-L159 HydrophobicContact CB-CD1 4.37Å; L155-L159 WeakPolarHBondContact O-CB 3.26Å; L155-L159 WeakPolarHBondContact O-CD1 3.47Å; L155-L159 WeakPolarHBondContact O-CG 3.29Å; L155-L159 PolarHBondContact O-N 3.48Å |
| 156 | Q | 62 | Low | 62.9 | Low | 95 Ų | 95 | 92.3 Ų | 92.3 | 44% | 0.444 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.3 | -39.1 | 175.1 | -172.7 | 175.7 | -0.1 | 0 | 0 | 111.6 | P152 S153 L159 T160 | P152-Q156 HydrophobicContact CB-CB 3.83Å; P152-Q156 HydrophobicContact CB-CG 3.6Å; S153-Q156 CarbonylContact O-C 3.48Å; S153-Q156 WeakPolarHBondContact O-CA 3.32Å; S153-Q156 WeakPolarHBondContact O-CB 3.49Å; S153-Q156 PolarHBondContact O-N 3.06Å; S153-Q156 WeakPolarHBondContact OG-CB 3.22Å; S153-Q156 PolarHBondContact OG-N 3.33Å; Q156-L159 PolarHBondContact O-N 3.07Å; Q156-T160 HydrophobicContact CG-CG2 4.43Å; Q156-T160 WeakPolarHBondContact O-CB 3.33Å; Q156-T160 PolarHBondContact O-N 3.34Å; Q156-T160 PolarHBondContact O-OG1 2.78Å |
| 157 | R | 68.3 | Low | 60.7 | Low | 114 Ų | 114 | 96.5 Ų | 96.5 | 43% | 0.43 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.1 | -42.5 | 173 | -71.9 | -177.1 | 62.7 | 165.7 | -6.3 | 112.4 | P152 S153 M154 L155 | P152-R157 HydrophobicContact CB-CG 4.42Å; P152-R157 HydrophobicContact CG-CG 3.97Å; S153-R157 PolarHBondContact O-N 3.3Å; M154-R157 PolarHBondContact O-N 2.87Å; L155-R157 VanDerWaalsContact C-N 3.31Å; L155-R157 PolarHBondContact O-N 3.01Å |
| 158 | I | 74.1 | Confident | 58.1 | Low | 126 Ų | 126 | 96.6 Ų | 96.6 | 65% | 0.646 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66 | -41.6 | 175.8 | -66.5 | 162.7 | 0 | 0 | 0 | 110.7 | M154 L155 | M154-I158 WeakPolarHBondContact O-CD1 3.47Å; M154-I158 VanDerWaalsContact O-CG1 3.24Å; M154-I158 WeakPolarHBondContact O-CG1 3.49Å; M154-I158 PolarHBondContact O-N 3.3Å; L155-I158 PolarHBondContact O-N 2.8Å |
| 159 | L | 65.5 | Low | 56.4 | Low | 144 Ų | 144 | 99.8 Ų | 99.8 | 75% | 0.754 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -80 | -29.7 | -174.1 | -68.7 | 168.9 | 0 | 0 | 0 | 114 | L155 Q156 | L155-L159 HydrophobicContact CB-CD1 4.37Å; L155-L159 WeakPolarHBondContact O-CB 3.26Å; L155-L159 WeakPolarHBondContact O-CD1 3.47Å; L155-L159 WeakPolarHBondContact O-CG 3.29Å; L155-L159 PolarHBondContact O-N 3.48Å; Q156-L159 PolarHBondContact O-N 3.07Å |
| 160 | T | 66.9 | Low | 54.8 | Low | 110 Ų | 110 | 103.7 Ų | 103.7 | 68% | 0.675 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 5.1 | -179.5 | 47.4 | 0 | 0 | 0 | 0 | 114.6 | Q156 | Q156-T160 HydrophobicContact CG-CG2 4.43Å; Q156-T160 WeakPolarHBondContact O-CB 3.33Å; Q156-T160 PolarHBondContact O-N 3.34Å; Q156-T160 PolarHBondContact O-OG1 2.78Å |
| 161 | G | 46.9 | Very low | 53.8 | Low | 43 Ų | 43 | 106.4 Ų | 106.4 | 44% | 0.443 | 65% | 0.647 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 124.4 | 101.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S163 | G161-S163 PolarHBondContact O-N 3.07Š|
| 162 | G | 50.6 | Low | 52.7 | Low | 80 Ų | 80 | 114.1 Ų | 114.1 | 83% | 0.825 | 67% | 0.674 | S | S | * | * | trans | -64.5 | 53.6 | 134 | 0 | 0 | 0 | 0 | 0 | 110.9 | G164 | G162-G164 PolarHBondContact O-N 3.14Š| ||
| 163 | S | 50.9 | Low | 51.7 | Low | 98 Ų | 98 | 120.6 Ų | 120.6 | 69% | 0.685 | 70% | 0.7 | S | S | * | * | trans | -99.1 | 65.1 | 177 | -161.9 | 0 | 0 | 0 | 0 | 109.2 | G161 | G161-S163 PolarHBondContact O-N 3.07Š| ||
| 164 | G | 44.4 | Very low | 50.2 | Low | 79 Ų | 79 | 122 Ų | 122 | 81% | 0.814 | 72% | 0.721 | S | S | * | * | trans | -92 | 90.8 | 148 | 0 | 0 | 0 | 0 | 0 | 106.8 | G162 | G162-G164 PolarHBondContact O-N 3.14Š| ||
| 165 | S | 45.2 | Very low | 48.7 | Very low | 94 Ų | 94 | 123.5 Ų | 123.5 | 66% | 0.657 | 73% | 0.727 | S | S | * | * | trans | -70.6 | 124.7 | 174.5 | -72.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 166 | Q | 42.3 | Very low | 47.3 | Very low | 191 Ų | 191 | 123.3 Ų | 123.3 | 89% | 0.893 | 73% | 0.733 | S | S | * | * | 176.6 | 140.7 | 105.5 | -93 | -178.5 | 85.8 | 0 | 0 | 113.7 | |||||
| 167 | S | 45.8 | Very low | 46 | Very low | 123 Ų | 123 | 126.3 Ų | 126.3 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | trans | -52.7 | 141.8 | 172.5 | -175.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 168 | G | 33.3 | Very low | 44.5 | Very low | 67 Ų | 67 | 128.7 Ų | 128.7 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | trans | -173.1 | 99.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | T170 | G168-T170 PolarHBondContact O-N 2.97Å; G168-T170 VanDerWaalsContact O-N 3.08Å | ||
| 169 | L | 46.7 | Very low | 42.6 | Very low | 176 Ų | 176 | 131.9 Ų | 131.9 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | trans | -62.2 | 102.4 | 167.6 | -75.4 | 156.9 | 0 | 0 | 0 | 109.4 | ||||
| 170 | T | 36.4 | Very low | 41.2 | Very low | 131 Ų | 131 | 133.9 Ų | 133.9 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -146.3 | 109.8 | 151.8 | 49.3 | 0 | 0 | 0 | 0 | 109.6 | G168 | G168-T170 PolarHBondContact O-N 2.97Å; G168-T170 VanDerWaalsContact O-N 3.08Å | ||
| 171 | D | 41.4 | Very low | 39.6 | Very low | 153 Ų | 153 | 132.7 Ų | 132.7 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -50.1 | 131.7 | 154.9 | -171.5 | 13.4 | 0 | 0 | 0 | 109.9 | ||||
| 172 | R | 36.4 | Very low | 39 | Very low | 219 Ų | 219 | 135.5 Ų | 135.5 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | trans | 158.4 | 111.5 | 144.2 | -85.7 | 178.2 | 117.1 | 124 | 10.1 | 113.8 | ||||
| 173 | Q | 37 | Very low | 38.9 | Very low | 189 Ų | 189 | 137.8 Ų | 137.8 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | trans | 11.1 | 124.4 | 142.6 | -62.5 | 175 | -25.2 | 0 | 0 | 119.2 | ||||
| 174 | G | 32 | Very low | 39.1 | Very low | 76 Ų | 76 | 135.7 Ų | 135.7 | 78% | 0.784 | 77% | 0.766 | S | S | * | * | trans | 139.4 | 119.6 | 148.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 175 | E | 31.5 | Very low | 39.9 | Very low | 165 Ų | 165 | 137.1 Ų | 137.1 | 77% | 0.771 | 76% | 0.763 | S | S | * | * | trans | 79.9 | 119.5 | 159.6 | -71.7 | -64.9 | 101.6 | 0 | 0 | 121.4 | L177 | E175-L177 PolarHBondContact O-N 3.34Š| ||
| 176 | P | 35.5 | Very low | 41.2 | Very low | 117 Ų | 117 | 132.8 Ų | 132.8 | 76% | 0.76 | 73% | 0.734 | S | S | * | * | trans | -84.2 | 86.4 | 167.8 | 34.1 | -27.7 | 0 | 0 | 0 | 109.7 | L178 | P176-L178 PolarHBondContact O-N 3.48Š| ||
| 177 | L | 33.9 | Very low | 43.4 | Very low | 157 Ų | 157 | 123.9 Ų | 123.9 | 82% | 0.822 | 69% | 0.692 | S | S | * | * | trans | -75.4 | 110.3 | 166.4 | -87.2 | 162.8 | 0 | 0 | 0 | 109.2 | E175 E179 | E175-L177 PolarHBondContact O-N 3.34Å; L177-E179 PolarHBondContact O-N 3.34Å | ||
| 178 | L | 38.7 | Very low | 45.5 | Very low | 165 Ų | 165 | 119.4 Ų | 119.4 | 86% | 0.864 | 66% | 0.661 | S | S | * | * | trans | -34.2 | 105.9 | 172.3 | -73.1 | 151.5 | 0 | 0 | 0 | 112 | P176 Q180 | P176-L178 PolarHBondContact O-N 3.48Å; L178-Q180 VanDerWaalsContact C-N 3.35Å; L178-Q180 PolarHBondContact O-N 3.33Å | ||
| 179 | E | 33 | Very low | 48.2 | Very low | 192 Ų | 192 | 117.4 Ų | 117.4 | 90% | 0.897 | 63% | 0.634 | S | S | * | * | trans | -54.2 | 102.1 | 158.5 | -77.3 | 179.4 | 144.3 | 0 | 0 | 107.7 | L177 S181 | L177-E179 PolarHBondContact O-N 3.34Å; E179-S181 PolarHBondContact O-N 3.11Å | ||
| 180 | Q | 35.4 | Very low | 50.3 | Low | 186 Ų | 186 | 112 Ų | 112 | 87% | 0.869 | 62% | 0.615 | S | S | * | * | trans | -71.4 | 88.5 | 174.8 | -142.7 | 153.2 | 26.6 | 0 | 0 | 107.1 | L178 T182 | L178-Q180 VanDerWaalsContact C-N 3.35Å; L178-Q180 PolarHBondContact O-N 3.33Å; Q180-T182 PolarHBondContact O-N 3.28Å | ||
| 181 | S | 34.4 | Very low | 53 | Low | 86 Ų | 86 | 109.3 Ų | 109.3 | 60% | 0.601 | 60% | 0.596 | S | S | * | * | trans | 5 | 114.2 | 160.3 | 39.9 | 0 | 0 | 0 | 0 | 114.4 | E179 E183 | E179-S181 PolarHBondContact O-N 3.11Å; S181-E183 PolarHBondContact O-N 3.43Å | ||
| 182 | T | 34.8 | Very low | 55.5 | Low | 101 Ų | 101 | 102 Ų | 102 | 62% | 0.62 | 56% | 0.557 | S | S | * | * | trans | -41.1 | 102.2 | 156.5 | 38.9 | 0 | 0 | 0 | 0 | 109.6 | Q180 T184 | Q180-T182 PolarHBondContact O-N 3.28Å; T182-T184 PolarHBondContact O-N 3.48Å | ||
| 183 | E | 48.6 | Very low | 58.2 | Low | 128 Ų | 128 | 95.8 Ų | 95.8 | 60% | 0.598 | 54% | 0.537 | S | S | * | . | trans | -64.9 | 109.1 | -178.7 | -69.1 | -158.8 | 131.3 | 0 | 0 | 108.8 | S181 S185 K284 | S181-E183 PolarHBondContact O-N 3.43Å; E183-S185 PolarHBondContact O-N 3Å; E183-K284 IonicContact OE1-NZ 3.7Å; E183-K284 PolarHBondContact OE1-NZ 3.25Å; E183-K284 IonicContact OE2-NZ 2.72Å; E183-K284 PolarHBondContact OE2-NZ 2.98Å | ||
| 184 | T | 53.5 | Low | 61 | Low | 55 Ų | 55 | 88.4 Ų | 88.4 | 34% | 0.337 | 51% | 0.512 | S | S | . | . | trans | -61.1 | 106.7 | 174.7 | 56.5 | 0 | 0 | 0 | 0 | 108.5 | T182 G186 | T182-T184 PolarHBondContact O-N 3.48Å; T184-G186 PolarHBondContact O-N 3.31Å | ||
| 185 | S | 61.8 | Low | 64.1 | Low | 108 Ų | 108 | 84.8 Ų | 84.8 | 76% | 0.755 | 48% | 0.475 | S | S | * | . | trans | -73.7 | 18.3 | -166.9 | -132.9 | 0 | 0 | 0 | 0 | 114.7 | E183 | E183-S185 PolarHBondContact O-N 3Š| ||
| 186 | G | 72.8 | Confident | 67.2 | Low | 3 Ų | 3 | 78.6 Ų | 78.6 | 3% | 0.031 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -150 | 151.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | R83 T184 | R83-G186 WeakPolarHBondContact CD-O 3.21Å; R83-G186 PolarHBondContact NH1-O 3.46Å; T184-G186 PolarHBondContact O-N 3.31Å |
| 187 | V | 87.8 | Confident | 70.1 | Confident | 4 Ų | 4 | 75.2 Ų | 75.2 | 2% | 0.024 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 147.7 | 179.3 | 173.6 | 0 | 0 | 0 | 0 | 109.4 | R83 G84 L189 D191 I192 V277 Q280 L281 | R83-V187 CarbonylContact C-O 3.45Å; R83-V187 VanDerWaalsContact CA-O 3.22Å; R83-V187 WeakPolarHBondContact CA-O 3.41Å; G84-V187 PolarHBondContact N-O 2.84Å; G84-V187 PolarHBondContact O-N 3.43Å; V187-L189 PolarHBondContact O-N 3.2Å; V187-D191 HydrophobicContact CG1-CB 4.33Å; V187-I192 HydrophobicContact CB-CD1 4.05Å; V187-I192 HydrophobicContact CB-CG1 4.03Å; V187-I192 HydrophobicContact CG1-CD1 4.25Å; V187-I192 HydrophobicContact CG1-CG1 3.68Å; V187-V277 HydrophobicContact CG1-CB 4.4Å; V187-V277 HydrophobicContact CG1-CG1 3.56Å; V187-V277 HydrophobicContact CG1-CG2 4.29Å; V187-Q280 HydrophobicContact CG2-CB 3.92Å; V187-Q280 HydrophobicContact CG2-CG 3.69Å; V187-L281 HydrophobicContact CG2-CB 4.15Å; V187-L281 HydrophobicContact CG2-CD1 4.36Å |
| 188 | S | 90.1 | Very high | 73.1 | Confident | 30 Ų | 30 | 67.8 Ų | 67.8 | 21% | 0.21 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.5 | 128.2 | 174.6 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | A190 D191 I192 | S188-A190 PolarHBondContact O-N 3.45Å; S188-A190 PolarHBondContact OG-N 2.99Å; S188-D191 WeakPolarHBondContact CB-OD2 3.47Å; S188-D191 PolarHBondContact O-N 3.27Å; S188-D191 VanDerWaalsContact O-N 3.08Å; S188-I192 WeakPolarHBondContact O-CG1 3.3Å; S188-I192 PolarHBondContact O-N 3.35Å |
| 189 | L | 89.9 | Confident | 75.9 | Confident | 24 Ų | 24 | 60 Ų | 60 | 13% | 0.126 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.3 | -34.3 | -179.9 | -176.1 | 62.9 | 0 | 0 | 0 | 111.8 | R82 E148 V187 D191 I192 Q193 | R82-L189 HydrophobicContact CB-CB 3.99Å; R82-L189 HydrophobicContact CB-CD2 3.98Å; R82-L189 WeakPolarHBondContact O-CB 3.46Å; R82-L189 PolarHBondContact O-N 3.23Å; E148-L189 HydrophobicContact CG-CD1 4.49Å; E148-L189 HydrophobicContact CG-CD2 4.47Å; V187-L189 PolarHBondContact O-N 3.2Å; L189-D191 VanDerWaalsContact C-N 3.34Å; L189-D191 PolarHBondContact O-N 3.46Å; L189-I192 PolarHBondContact O-N 3.04Å; L189-Q193 HydrophobicContact CD1-CG 4.39Å; L189-Q193 HydrophobicContact CG-CG 4.31Å; L189-Q193 WeakPolarHBondContact O-CB 3.24Å; L189-Q193 VanDerWaalsContact O-CG 3.26Å; L189-Q193 WeakPolarHBondContact O-CG 3.24Å; L189-Q193 PolarHBondContact O-N 2.75Å |
| 190 | A | 90.9 | Very high | 79 | Confident | 63 Ų | 63 | 57 Ų | 57 | 52% | 0.521 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.4 | -42.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S188 Q193 G194 | S188-A190 PolarHBondContact O-N 3.45Å; S188-A190 PolarHBondContact OG-N 2.99Å; A190-Q193 PolarHBondContact O-N 2.99Å; A190-G194 PolarHBondContact O-N 3.47Å |
| 191 | D | 92.9 | Very high | 81.9 | Confident | 75 Ų | 75 | 52 Ų | 52 | 40% | 0.401 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -68.6 | -40.8 | 179.8 | -59.1 | -34 | 0 | 0 | 0 | 110.8 | V187 S188 L189 Q193 G194 I195 V277 | V187-D191 HydrophobicContact CG1-CB 4.33Å; S188-D191 WeakPolarHBondContact CB-OD2 3.47Å; S188-D191 PolarHBondContact O-N 3.27Å; S188-D191 VanDerWaalsContact O-N 3.08Å; L189-D191 VanDerWaalsContact C-N 3.34Å; L189-D191 PolarHBondContact O-N 3.46Å; D191-Q193 VanDerWaalsContact C-N 3.33Å; D191-Q193 PolarHBondContact O-N 2.84Å; D191-G194 WeakPolarHBondContact O-CA 3.28Å; D191-G194 PolarHBondContact O-N 2.78Å; D191-G194 VanDerWaalsContact O-N 3.11Å; D191-I195 PolarHBondContact O-N 3.45Å; D191-I195 VanDerWaalsContact O-N 3.08Å; D191-V277 HydrophobicContact CB-CB 4.47Å; D191-V277 HydrophobicContact CB-CG1 3.88Å; D191-V277 HydrophobicContact CB-CG2 3.89Å |
| 192 | I | 93.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.7 | -40.3 | 176.7 | -46.5 | 170.8 | 0 | 0 | 0 | 110.7 | F144 I146 V187 S188 L189 G194 I195 K196 L281 | F144-I192 HydrophobicContact CE2-CG2 3.71Å; F144-I192 HydrophobicContact CZ-CG2 4.26Å; I146-I192 HydrophobicContact CD1-CB 4.03Å; I146-I192 HydrophobicContact CD1-CG2 3.2Å; I146-I192 HydrophobicContact CG1-CG2 3.81Å; I146-I192 HydrophobicContact CG2-CD1 4.07Å; V187-I192 HydrophobicContact CB-CD1 4.05Å; V187-I192 HydrophobicContact CB-CG1 4.03Å; V187-I192 HydrophobicContact CG1-CD1 4.25Å; V187-I192 HydrophobicContact CG1-CG1 3.68Å; S188-I192 WeakPolarHBondContact O-CG1 3.3Å; S188-I192 PolarHBondContact O-N 3.35Å; L189-I192 PolarHBondContact O-N 3.04Å; I192-G194 VanDerWaalsContact C-N 3.27Å; I192-G194 PolarHBondContact O-N 3.19Å; I192-I195 PolarHBondContact O-N 3.46Å; I192-K196 PolarHBondContact O-N 2.88Å; I192-L281 HydrophobicContact CD1-CD1 4.38Å; I192-L281 HydrophobicContact CG1-CD2 4.25Å; I192-L281 HydrophobicContact CG2-CD2 3.9Å |
| 193 | Q | 93.8 | Very high | 87.9 | Confident | 88 Ų | 88 | 45.6 Ų | 45.6 | 41% | 0.411 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.8 | -33.1 | 173.7 | -67.5 | -56.7 | -19.6 | 0 | 0 | 111.9 | L189 A190 D191 K196 A197 | L189-Q193 HydrophobicContact CD1-CG 4.39Å; L189-Q193 HydrophobicContact CG-CG 4.31Å; L189-Q193 WeakPolarHBondContact O-CB 3.24Å; L189-Q193 VanDerWaalsContact O-CG 3.26Å; L189-Q193 WeakPolarHBondContact O-CG 3.24Å; L189-Q193 PolarHBondContact O-N 2.75Å; A190-Q193 PolarHBondContact O-N 2.99Å; D191-Q193 VanDerWaalsContact C-N 3.33Å; D191-Q193 PolarHBondContact O-N 2.84Å; Q193-K196 PolarHBondContact O-N 2.77Å; Q193-A197 WeakPolarHBondContact O-CB 3.49Å; Q193-A197 PolarHBondContact O-N 3.12Å |
| 194 | G | 95.3 | Very high | 90.2 | Very high | 34 Ų | 34 | 43.3 Ų | 43.3 | 35% | 0.351 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.7 | -48.8 | 171 | 0 | 0 | 0 | 0 | 0 | 112.3 | A190 D191 I192 A197 F198 | A190-G194 PolarHBondContact O-N 3.47Å; D191-G194 WeakPolarHBondContact O-CA 3.28Å; D191-G194 PolarHBondContact O-N 2.78Å; D191-G194 VanDerWaalsContact O-N 3.11Å; I192-G194 VanDerWaalsContact C-N 3.27Å; I192-G194 PolarHBondContact O-N 3.19Å; G194-A197 PolarHBondContact O-N 2.89Å; G194-F198 PolarHBondContact O-N 3.29Å |
| 195 | I | 97.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.7 | -49 | 175.6 | -60.8 | 173.4 | 0 | 0 | 0 | 110.3 | V134 F144 D191 I192 A197 F198 L199 I273 V277 V278 L281 F282 | V134-I195 HydrophobicContact CG1-CG2 4.07Å; F144-I195 HydrophobicContact CE1-CG2 4.02Å; F144-I195 HydrophobicContact CZ-CB 4.41Å; F144-I195 HydrophobicContact CZ-CG2 3.86Å; D191-I195 PolarHBondContact O-N 3.45Å; D191-I195 VanDerWaalsContact O-N 3.08Å; I192-I195 PolarHBondContact O-N 3.46Å; I195-A197 VanDerWaalsContact C-N 3.35Å; I195-A197 PolarHBondContact O-N 3.26Å; I195-F198 WeakPolarHBondContact O-CB 3.46Å; I195-F198 PolarHBondContact O-N 2.71Å; I195-L199 HydrophobicContact CG2-CD1 4.41Å; I195-L199 WeakPolarHBondContact O-CG 3.45Å; I195-L199 PolarHBondContact O-N 2.82Å; I195-I273 HydrophobicContact CD1-CG2 4.2Å; I195-I273 HydrophobicContact CG1-CD1 4.1Å; I195-I273 HydrophobicContact CG1-CG1 4.3Å; I195-I273 HydrophobicContact CG1-CG2 3.87Å; I195-V277 HydrophobicContact CD1-CG1 4.03Å; I195-V278 HydrophobicContact CD1-CG2 4.27Å; I195-L281 HydrophobicContact CD1-CD2 4.42Å; I195-F282 HydrophobicContact CD1-CE2 4.18Å |
| 196 | K | 96.4 | Very high | 93.8 | Very high | 35 Ų | 35 | 41.8 Ų | 41.8 | 15% | 0.152 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.7 | -40.2 | 179.3 | -75.8 | -168.1 | 163.3 | -171.8 | 0 | 113.1 | F144 I146 I192 Q193 F198 L199 K200 | F144-K196 HydrophobicContact CE2-CD 4.49Å; F144-K196 HydrophobicContact CE2-CG 4.15Å; F144-K196 HydrophobicContact CZ-CG 3.89Å; F144-K196 WeakPolarHBondContact O-CE 3.2Å; F144-K196 PolarHBondContact O-NZ 3.32Å; I146-K196 HydrophobicContact CD1-CD 3.76Å; I146-K196 VanDerWaalsContact CD1-CE 3.41Å; I192-K196 PolarHBondContact O-N 2.88Å; Q193-K196 PolarHBondContact O-N 2.77Å; K196-F198 VanDerWaalsContact C-N 3.33Å; K196-L199 PolarHBondContact O-N 3.14Å; K196-K200 WeakPolarHBondContact O-CB 3.32Å; K196-K200 WeakPolarHBondContact O-CG 3.46Å; K196-K200 PolarHBondContact O-N 3.2Å |
| 197 | A | 96.8 | Very high | 94.9 | Very high | 46 Ų | 46 | 42.1 Ų | 42.1 | 38% | 0.38 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.5 | -41.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q193 G194 I195 K201 M269 | Q193-A197 WeakPolarHBondContact O-CB 3.49Å; Q193-A197 PolarHBondContact O-N 3.12Å; G194-A197 PolarHBondContact O-N 2.89Å; I195-A197 VanDerWaalsContact C-N 3.35Å; I195-A197 PolarHBondContact O-N 3.26Å; A197-K201 VanDerWaalsContact O-CB 3.3Å; A197-K201 WeakPolarHBondContact O-CB 3.36Å; A197-K201 PolarHBondContact O-N 3.3Å; A197-M269 HydrophobicContact CB-CE 4.16Å |
| 198 | F | 97.8 | Very high | 95.3 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.6 | -47.8 | 174 | 169.2 | -93.6 | 0 | 0 | 0 | 112.2 | V134 L135 A138 G194 I195 K196 K201 C202 T266 M269 L270 I273 | V134-F198 HydrophobicContact CG1-CD1 3.53Å; V134-F198 HydrophobicContact CG1-CE1 3.69Å; L135-F198 HydrophobicContact CD1-CZ 3.87Å; A138-F198 HydrophobicContact CB-CE1 4.15Å; G194-F198 PolarHBondContact O-N 3.29Å; I195-F198 WeakPolarHBondContact O-CB 3.46Å; I195-F198 PolarHBondContact O-N 2.71Å; K196-F198 VanDerWaalsContact C-N 3.33Å; F198-K201 PolarHBondContact O-N 3.39Å; F198-C202 VanDerWaalsContact CE2-SG 3.59Å; F198-C202 WeakPolarHBondContact CZ-SG 3.4Å; F198-C202 PolarHBondContact O-N 3.3Å; F198-C202 PolarHBondContact O-SG 3.27Å; F198-C202 VanDerWaalsContact O-SG 3.33Å; F198-T266 HydrophobicContact CD2-CG2 4.05Å; F198-T266 HydrophobicContact CE2-CG2 3.58Å; F198-T266 WeakPolarHBondContact CE2-O 3.38Å; F198-T266 HydrophobicContact CZ-CG2 4.45Å; F198-M269 HydrophobicContact CB-CE 4.36Å; F198-M269 HydrophobicContact CD2-CB 4.12Å; F198-L270 HydrophobicContact CD1-CD1 4.31Å; F198-L270 HydrophobicContact CD2-CB 4.11Å; F198-L270 HydrophobicContact CD2-CD1 4.36Å; F198-L270 HydrophobicContact CE1-CD1 3.85Å; F198-L270 HydrophobicContact CE2-CB 3.64Å; F198-L270 HydrophobicContact CE2-CD1 3.89Å; F198-L270 HydrophobicContact CE2-CD2 4.35Å; F198-L270 HydrophobicContact CE2-CG 4.15Å; F198-L270 HydrophobicContact CZ-CB 4.16Å; F198-L270 HydrophobicContact CZ-CD1 3.61Å; F198-L270 HydrophobicContact CZ-CD2 4.12Å; F198-L270 HydrophobicContact CZ-CG 4.17Å; F198-I273 HydrophobicContact CB-CD1 4.14Å; F198-I273 HydrophobicContact CD1-CD1 4.4Å; F198-I273 HydrophobicContact CG-CD1 4.22Å |
| 199 | L | 97.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 46.5 Ų | 46.5 | 1% | 0.005 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60 | -50.3 | 179.2 | -65.4 | -178.7 | 0 | 0 | 0 | 111.5 | V134 F137 A138 F144 I195 K196 K201 C202 W203 | V134-L199 HydrophobicContact CG1-CD2 4.26Å; F137-L199 HydrophobicContact CB-CD2 3.75Å; A138-L199 HydrophobicContact CB-CD2 3.83Å; F144-L199 HydrophobicContact CD1-CD1 4.31Å; F144-L199 HydrophobicContact CE1-CD1 3.72Å; I195-L199 HydrophobicContact CG2-CD1 4.41Å; I195-L199 WeakPolarHBondContact O-CG 3.45Å; I195-L199 PolarHBondContact O-N 2.82Å; K196-L199 PolarHBondContact O-N 3.14Å; L199-K201 VanDerWaalsContact C-N 3.28Å; L199-K201 PolarHBondContact O-N 3.46Å; L199-C202 WeakPolarHBondContact O-CB 3.38Å; L199-C202 PolarHBondContact O-N 2.84Å; L199-C202 VanDerWaalsContact O-N 3.16Å; L199-W203 HydrophobicContact CB-CH2 4.02Å; L199-W203 HydrophobicContact CB-CZ2 3.93Å; L199-W203 HydrophobicContact CB-CZ3 4.42Å; L199-W203 HydrophobicContact CD1-CH2 4.39Å; L199-W203 HydrophobicContact CD1-CZ2 4.4Å; L199-W203 PolarHBondContact O-N 2.9Å |
| 200 | K | 97.1 | Very high | 95.6 | Very high | 130 Ų | 130 | 48.5 Ų | 48.5 | 57% | 0.565 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -57.6 | -40.8 | 176.4 | -72.3 | 176.7 | -179.7 | -178.3 | 0 | 112 | K196 W203 A204 | K196-K200 WeakPolarHBondContact O-CB 3.32Å; K196-K200 WeakPolarHBondContact O-CG 3.46Å; K196-K200 PolarHBondContact O-N 3.2Å; K200-W203 PolarHBondContact O-N 3.4Å; K200-A204 WeakPolarHBondContact O-CB 3.43Å; K200-A204 PolarHBondContact O-N 3.39Å |
| 201 | K | 97.3 | Very high | 95.9 | Very high | 79 Ų | 79 | 45.5 Ų | 45.5 | 34% | 0.343 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.5 | -44.6 | 177.6 | -175.3 | 62.2 | 172.5 | -175.7 | 0 | 111.6 | A197 F198 L199 W203 A204 L205 M269 | A197-K201 VanDerWaalsContact O-CB 3.3Å; A197-K201 WeakPolarHBondContact O-CB 3.36Å; A197-K201 PolarHBondContact O-N 3.3Å; F198-K201 PolarHBondContact O-N 3.39Å; L199-K201 VanDerWaalsContact C-N 3.28Å; L199-K201 PolarHBondContact O-N 3.46Å; K201-W203 VanDerWaalsContact C-N 3.32Å; K201-W203 PolarHBondContact O-N 3.45Å; K201-A204 PolarHBondContact O-N 3.2Å; K201-L205 HydrophobicContact CD-CD1 4.44Å; K201-L205 HydrophobicContact CD-CG 4.49Å; K201-L205 HydrophobicContact CG-CD1 4.24Å; K201-L205 WeakPolarHBondContact O-CG 3.39Å; K201-L205 PolarHBondContact O-N 2.93Å; K201-L205 VanDerWaalsContact O-N 3.09Å; K201-M269 HydrophobicContact CB-CE 4.46Å; K201-M269 HydrophobicContact CB-SD 4.42Å; K201-M269 HydrophobicContact CG-SD 4.2Å |
| 202 | C | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.4 | -41.8 | 176.4 | -68.7 | 0 | 0 | 0 | 0 | 112.1 | A138 F198 L199 L205 D206 I207 T266 | A138-C202 HydrophobicContact CB-CB 3.61Å; F198-C202 VanDerWaalsContact CE2-SG 3.59Å; F198-C202 WeakPolarHBondContact CZ-SG 3.4Å; F198-C202 PolarHBondContact O-N 3.3Å; F198-C202 PolarHBondContact O-SG 3.27Å; F198-C202 VanDerWaalsContact O-SG 3.33Å; L199-C202 WeakPolarHBondContact O-CB 3.38Å; L199-C202 PolarHBondContact O-N 2.84Å; L199-C202 VanDerWaalsContact O-N 3.16Å; C202-L205 PolarHBondContact O-N 3.49Å; C202-D206 PolarHBondContact O-N 3.33Å; C202-I207 HydrophobicContact CB-CD1 3.89Å; C202-T266 VanDerWaalsContact SG-CG2 3.53Å |
| 203 | W | 97.3 | Very high | 96.1 | Very high | 54 Ų | 54 | 42.6 Ų | 42.6 | 21% | 0.205 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.8 | -40 | 179.1 | -59.7 | -15.2 | 0 | 0 | 0 | 111.9 | A138 D143 L199 K200 K201 L205 D206 | A138-W203 PolarHBondContact O-NE1 2.89Å; D143-W203 HydrophobicContact CB-CH2 3.76Å; D143-W203 HydrophobicContact CB-CZ3 4.43Å; L199-W203 HydrophobicContact CB-CH2 4.02Å; L199-W203 HydrophobicContact CB-CZ2 3.93Å; L199-W203 HydrophobicContact CB-CZ3 4.42Å; L199-W203 HydrophobicContact CD1-CH2 4.39Å; L199-W203 HydrophobicContact CD1-CZ2 4.4Å; L199-W203 PolarHBondContact O-N 2.9Å; K200-W203 PolarHBondContact O-N 3.4Å; K201-W203 VanDerWaalsContact C-N 3.32Å; K201-W203 PolarHBondContact O-N 3.45Å; W203-L205 VanDerWaalsContact C-N 3.28Å; W203-L205 PolarHBondContact O-N 3.2Å; W203-D206 PolarHBondContact O-N 3.14Å |
| 204 | A | 97.2 | Very high | 96.2 | Very high | 80 Ų | 80 | 38.8 Ų | 38.8 | 66% | 0.661 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -69.9 | -21.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | K200 K201 | K200-A204 WeakPolarHBondContact O-CB 3.43Å; K200-A204 PolarHBondContact O-N 3.39Å; K201-A204 PolarHBondContact O-N 3.2Å |
| 205 | L | 95.5 | Very high | 96.3 | Very high | 18 Ų | 18 | 37.5 Ų | 37.5 | 9% | 0.094 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -8.7 | 177 | -74.7 | 177.5 | 0 | 0 | 0 | 113.4 | K201 C202 W203 I207 R259 K262 L263 T266 | K201-L205 HydrophobicContact CD-CD1 4.44Å; K201-L205 HydrophobicContact CD-CG 4.49Å; K201-L205 HydrophobicContact CG-CD1 4.24Å; K201-L205 WeakPolarHBondContact O-CG 3.39Å; K201-L205 PolarHBondContact O-N 2.93Å; K201-L205 VanDerWaalsContact O-N 3.09Å; C202-L205 PolarHBondContact O-N 3.49Å; W203-L205 VanDerWaalsContact C-N 3.28Å; W203-L205 PolarHBondContact O-N 3.2Å; L205-I207 VanDerWaalsContact C-N 3.32Å; L205-I207 HydrophobicContact CB-CG1 3.95Å; L205-I207 PolarHBondContact O-N 3.17Å; L205-R259 PolarHBondContact O-NH1 3.18Å; L205-R259 PolarHBondContact O-NH2 3.28Å; L205-K262 HydrophobicContact CD1-CB 4.31Å; L205-K262 HydrophobicContact CD2-CB 3.96Å; L205-K262 HydrophobicContact CD2-CD 3.89Å; L205-K262 HydrophobicContact CD2-CG 4.42Å; L205-L263 HydrophobicContact CD1-CD2 4.32Å; L205-T266 VanDerWaalsContact CD1-OG1 3.24Å; L205-T266 WeakPolarHBondContact CD1-OG1 3.49Å |
| 206 | D | 94.9 | Very high | 96.2 | Very high | 112 Ų | 112 | 38 Ų | 38 | 60% | 0.599 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.3 | 57.4 | -173.9 | -68.9 | -43.3 | 0 | 0 | 0 | 111.6 | R141 C202 W203 S208 R259 | R141-D206 IonicContact NH2-OD1 3.9Å; C202-D206 PolarHBondContact O-N 3.33Å; W203-D206 PolarHBondContact O-N 3.14Å; D206-S208 PolarHBondContact O-N 3.05Å; D206-R259 PolarHBondContact O-NH2 3.38Å |
| 207 | I | 96.1 | Very high | 96.2 | Very high | 11 Ų | 11 | 36.4 Ų | 36.4 | 6% | 0.056 | 20% | 0.201 | C | C | . | . | trans | -64 | 123.1 | 179 | -55 | 179 | 0 | 0 | 0 | 108.7 | C202 L205 E211 Y212 I215 L263 T266 | C202-I207 HydrophobicContact CB-CD1 3.89Å; L205-I207 VanDerWaalsContact C-N 3.32Å; L205-I207 HydrophobicContact CB-CG1 3.95Å; L205-I207 PolarHBondContact O-N 3.17Å; I207-E211 HydrophobicContact CG2-CB 3.61Å; I207-Y212 HydrophobicContact CB-CD2 4.03Å; I207-Y212 HydrophobicContact CB-CE1 4.35Å; I207-Y212 HydrophobicContact CB-CE2 3.56Å; I207-Y212 HydrophobicContact CD1-CE1 4.36Å; I207-Y212 HydrophobicContact CG2-CD1 4.08Å; I207-Y212 HydrophobicContact CG2-CD2 3.6Å; I207-Y212 HydrophobicContact CG2-CE1 4.13Å; I207-Y212 HydrophobicContact CG2-CE2 3.67Å; I207-Y212 HydrophobicContact CG2-CG 3.81Å; I207-Y212 WeakPolarHBondContact O-CD2 3.44Å; I207-Y212 WeakPolarHBondContact O-CE2 3.2Å; I207-I215 HydrophobicContact CD1-CD1 4.45Å; I207-I215 HydrophobicContact CG2-CD1 4.14Å; I207-L263 HydrophobicContact CD1-CD2 4Å; I207-L263 HydrophobicContact CG1-CD2 3.87Å; I207-T266 HydrophobicContact CD1-CG2 4.46Å | ||
| 208 | S | 94.9 | Very high | 96.2 | Very high | 39 Ų | 39 | 34.3 Ų | 34.3 | 27% | 0.273 | 18% | 0.183 | S | C | . | . | trans | -75.5 | 162.3 | 179.6 | 69.4 | 0 | 0 | 0 | 0 | 112 | D206 K210 E211 Y212 | D206-S208 PolarHBondContact O-N 3.05Å; S208-K210 PolarHBondContact O-N 3.22Å; S208-E211 WeakPolarHBondContact CB-OE2 3.41Å; S208-E211 PolarHBondContact N-OE2 3.04Å; S208-E211 PolarHBondContact O-N 3.16Å; S208-E211 VanDerWaalsContact O-N 3.15Å; S208-E211 VanDerWaalsContact OG-CD 3.31Å; S208-E211 VanDerWaalsContact OG-CG 3.25Å; S208-E211 WeakPolarHBondContact OG-CG 3.44Å; S208-E211 PolarHBondContact OG-N 3.22Å; S208-E211 PolarHBondContact OG-OE2 3.03Å; S208-Y212 VanDerWaalsContact O-CD2 3.32Å; S208-Y212 WeakPolarHBondContact O-CD2 3.48Å; S208-Y212 PolarHBondContact O-N 3.1Å | ||
| 209 | T | 93.3 | Very high | 96.1 | Very high | 87 Ų | 87 | 34.8 Ų | 34.8 | 53% | 0.534 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -57.9 | -34.7 | 177.3 | -46.8 | 0 | 0 | 0 | 0 | 112.9 | A213 | T209-A213 PolarHBondContact O-N 3.34Å; T209-A213 VanDerWaalsContact O-N 3.12Å |
| 210 | K | 93.9 | Very high | 96.1 | Very high | 66 Ų | 66 | 34.7 Ų | 34.7 | 29% | 0.287 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -69.3 | -44.5 | 176.8 | -81.2 | -175.8 | 173.6 | -178.4 | 0 | 111.3 | Y23 S208 A213 Y214 | Y23-K210 HydrophobicContact CD1-CG 4.21Å; Y23-K210 HydrophobicContact CD2-CB 4.28Å; Y23-K210 HydrophobicContact CD2-CG 3.68Å; Y23-K210 HydrophobicContact CE1-CD 4.46Å; Y23-K210 HydrophobicContact CE1-CG 3.97Å; Y23-K210 HydrophobicContact CE2-CB 4.16Å; Y23-K210 HydrophobicContact CE2-CG 3.46Å; Y23-K210 VanDerWaalsContact CE2-CG 3.46Å; Y23-K210 HydrophobicContact CG-CG 4.06Å; S208-K210 PolarHBondContact O-N 3.22Å; K210-A213 WeakPolarHBondContact O-CB 3.49Å; K210-A213 PolarHBondContact O-N 3.16Å; K210-Y214 HydrophobicContact CB-CE2 4.27Å; K210-Y214 WeakPolarHBondContact O-CD2 3.37Å; K210-Y214 PolarHBondContact O-N 2.84Å; K210-Y214 VanDerWaalsContact O-N 3.09Å |
| 211 | E | 96.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.1 | -43.1 | 176.6 | -67.5 | 165.7 | 133.8 | 0 | 0 | 111.5 | I207 S208 A213 Y214 I215 L245 H253 R259 L263 | I207-E211 HydrophobicContact CG2-CB 3.61Å; S208-E211 WeakPolarHBondContact CB-OE2 3.41Å; S208-E211 PolarHBondContact N-OE2 3.04Å; S208-E211 PolarHBondContact O-N 3.16Å; S208-E211 VanDerWaalsContact O-N 3.15Å; S208-E211 VanDerWaalsContact OG-CD 3.31Å; S208-E211 VanDerWaalsContact OG-CG 3.25Å; S208-E211 WeakPolarHBondContact OG-CG 3.44Å; S208-E211 PolarHBondContact OG-N 3.22Å; S208-E211 PolarHBondContact OG-OE2 3.03Å; E211-A213 VanDerWaalsContact C-N 3.29Å; E211-A213 PolarHBondContact O-N 3.45Å; E211-Y214 PolarHBondContact O-N 3.31Å; E211-I215 WeakPolarHBondContact O-CB 3.35Å; E211-I215 WeakPolarHBondContact O-CG1 3.17Å; E211-I215 PolarHBondContact O-N 2.96Å; E211-L245 HydrophobicContact CB-CD1 3.96Å; E211-L245 HydrophobicContact CG-CD1 3.84Å; E211-H253 IonicContact OE1-CD2 3.84Å; E211-H253 IonicContact OE1-NE2 3.77Å; E211-R259 VanDerWaalsContact CD-NH2 3.31Å; E211-R259 IonicContact OE1-CZ 2.81Å; E211-R259 VanDerWaalsContact OE1-CZ 3.32Å; E211-R259 IonicContact OE1-NE 3.6Å; E211-R259 PolarHBondContact OE1-NE 3.11Å; E211-R259 IonicContact OE1-NH2 3.12Å; E211-R259 PolarHBondContact OE1-NH2 3.21Å; E211-R259 VanDerWaalsContact OE1-NH2 3.12Å; E211-R259 IonicContact OE2-CZ 3.15Å; E211-R259 IonicContact OE2-NE 3.06Å; E211-R259 IonicContact OE2-NH2 2.77Å; E211-R259 PolarHBondContact OE2-NH2 3.03Å; E211-L263 HydrophobicContact CG-CD1 4.42Å |
| 212 | Y | 96.5 | Very high | 95.9 | Very high | 5 Ų | 5 | 26.1 Ų | 26.1 | 2% | 0.02 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -56.4 | -43.1 | 172.7 | -85.9 | -64.8 | 0 | 0 | 0 | 112.2 | L135 A138 Q139 I207 S208 I215 K216 | L135-Y212 HydrophobicContact CD1-CD1 3.73Å; L135-Y212 HydrophobicContact CD1-CE1 3.62Å; L135-Y212 HydrophobicContact CD2-CD1 4.49Å; L135-Y212 HydrophobicContact CG-CD1 3.91Å; L135-Y212 HydrophobicContact CG-CE1 4.12Å; A138-Y212 HydrophobicContact CB-CE1 4.23Å; A138-Y212 PolarHBondContact O-OH 3.23Å; Q139-Y212 HydrophobicContact CB-CD1 4.04Å; Q139-Y212 HydrophobicContact CB-CD2 4.18Å; Q139-Y212 HydrophobicContact CB-CE1 3.94Å; Q139-Y212 HydrophobicContact CB-CE2 4.06Å; Q139-Y212 HydrophobicContact CB-CG 4.17Å; Q139-Y212 HydrophobicContact CG-CD1 4.42Å; Q139-Y212 HydrophobicContact CG-CD2 3.87Å; Q139-Y212 HydrophobicContact CG-CE2 4.1Å; Q139-Y212 HydrophobicContact CG-CG 4.05Å; I207-Y212 HydrophobicContact CB-CD2 4.03Å; I207-Y212 HydrophobicContact CB-CE1 4.35Å; I207-Y212 HydrophobicContact CB-CE2 3.56Å; I207-Y212 HydrophobicContact CD1-CE1 4.36Å; I207-Y212 HydrophobicContact CG2-CD1 4.08Å; I207-Y212 HydrophobicContact CG2-CD2 3.6Å; I207-Y212 HydrophobicContact CG2-CE1 4.13Å; I207-Y212 HydrophobicContact CG2-CE2 3.67Å; I207-Y212 HydrophobicContact CG2-CG 3.81Å; I207-Y212 WeakPolarHBondContact O-CD2 3.44Å; I207-Y212 WeakPolarHBondContact O-CE2 3.2Å; S208-Y212 VanDerWaalsContact O-CD2 3.32Å; S208-Y212 WeakPolarHBondContact O-CD2 3.48Å; S208-Y212 PolarHBondContact O-N 3.1Å; Y212-I215 PolarHBondContact O-N 3.35Å; Y212-K216 WeakPolarHBondContact O-CB 3.49Å; Y212-K216 VanDerWaalsContact O-CG 3.29Å; Y212-K216 WeakPolarHBondContact O-CG 3.3Å; Y212-K216 PolarHBondContact O-N 3.33Å |
| 213 | A | 95.6 | Very high | 95.7 | Very high | 8 Ų | 8 | 26.8 Ų | 26.8 | 7% | 0.066 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.1 | -48.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y23 L26 T209 K210 E211 I215 K216 G217 | Y23-A213 HydrophobicContact CD2-CB 3.79Å; Y23-A213 HydrophobicContact CE2-CB 3.95Å; L26-A213 HydrophobicContact CB-CB 3.96Å; L26-A213 WeakPolarHBondContact CD1-O 3.44Å; T209-A213 PolarHBondContact O-N 3.34Å; T209-A213 VanDerWaalsContact O-N 3.12Å; K210-A213 WeakPolarHBondContact O-CB 3.49Å; K210-A213 PolarHBondContact O-N 3.16Å; E211-A213 VanDerWaalsContact C-N 3.29Å; E211-A213 PolarHBondContact O-N 3.45Å; A213-I215 PolarHBondContact O-N 2.88Å; A213-K216 WeakPolarHBondContact O-CB 3.26Å; A213-K216 PolarHBondContact O-N 3.16Å; A213-G217 PolarHBondContact O-N 3.46Å |
| 214 | Y | 95.9 | Very high | 95.5 | Very high | 9 Ų | 9 | 29 Ų | 29 | 4% | 0.035 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.5 | -38.5 | 178.3 | -56.3 | -46 | 0 | 0 | 0 | 113 | S20 L22 L26 K210 E211 G217 A218 A244 L245 H248 | S20-Y214 WeakPolarHBondContact CB-OH 3.08Å; L22-Y214 HydrophobicContact CD2-CD1 3.44Å; L22-Y214 VanDerWaalsContact CD2-CD1 3.44Å; L22-Y214 HydrophobicContact CD2-CE1 3.62Å; L26-Y214 HydrophobicContact CD1-CD1 4.25Å; K210-Y214 HydrophobicContact CB-CE2 4.27Å; K210-Y214 WeakPolarHBondContact O-CD2 3.37Å; K210-Y214 PolarHBondContact O-N 2.84Å; K210-Y214 VanDerWaalsContact O-N 3.09Å; E211-Y214 PolarHBondContact O-N 3.31Å; Y214-G217 PolarHBondContact O-N 3.36Å; Y214-A218 WeakPolarHBondContact O-CB 3.44Å; Y214-A218 PolarHBondContact O-N 2.93Å; Y214-A244 HydrophobicContact CD1-CB 3.79Å; Y214-A244 HydrophobicContact CE1-CB 3.6Å; Y214-A244 HydrophobicContact CG-CB 4.34Å; Y214-L245 HydrophobicContact CD2-CB 4.2Å; Y214-L245 HydrophobicContact CD2-CD1 4.06Å; Y214-L245 HydrophobicContact CG-CB 4.29Å; Y214-H248 HydrophobicContact CD2-CB 4.37Å; Y214-H248 HydrophobicContact CE2-CB 3.69Å; Y214-H248 AromaticContact CE2-CG 3.91Å |
| 215 | I | 96.6 | Very high | 95.3 | Very high | 6 Ų | 6 | 26 Ų | 26 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.8 | -42.1 | 174.6 | -65 | 165.9 | 0 | 0 | 0 | 110.1 | L135 I207 E211 Y212 A213 G217 A218 V219 L245 L263 L267 | L135-I215 HydrophobicContact CD1-CG2 4.02Å; L135-I215 HydrophobicContact CD2-CB 4.19Å; L135-I215 HydrophobicContact CD2-CG2 3.59Å; L135-I215 HydrophobicContact CG-CG2 4.49Å; I207-I215 HydrophobicContact CD1-CD1 4.45Å; I207-I215 HydrophobicContact CG2-CD1 4.14Å; E211-I215 WeakPolarHBondContact O-CB 3.35Å; E211-I215 WeakPolarHBondContact O-CG1 3.17Å; E211-I215 PolarHBondContact O-N 2.96Å; Y212-I215 PolarHBondContact O-N 3.35Å; A213-I215 PolarHBondContact O-N 2.88Å; I215-G217 VanDerWaalsContact C-N 3.33Å; I215-G217 PolarHBondContact O-N 2.99Å; I215-A218 PolarHBondContact O-N 2.97Å; I215-V219 HydrophobicContact CG2-CG2 4.37Å; I215-V219 VanDerWaalsContact O-CG2 3.28Å; I215-V219 WeakPolarHBondContact O-CG2 3.23Å; I215-V219 PolarHBondContact O-N 3.01Å; I215-L245 HydrophobicContact CG1-CD2 4.05Å; I215-L263 HydrophobicContact CD1-CD2 4.24Å; I215-L267 HydrophobicContact CG2-CD1 4.28Å |
| 216 | K | 96.3 | Very high | 95.2 | Very high | 12 Ų | 12 | 30.8 Ų | 30.8 | 5% | 0.052 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -58.7 | -44.1 | 173.3 | -74.2 | -179.9 | -175.3 | -177 | 0 | 111.5 | F106 L132 L135 Y212 A213 V219 L220 | F106-K216 HydrophobicContact CD1-CD 4.33Å; F106-K216 HydrophobicContact CE1-CB 3.82Å; F106-K216 HydrophobicContact CE1-CD 4.15Å; F106-K216 HydrophobicContact CE1-CG 4.45Å; F106-K216 HydrophobicContact CE2-CD 4.45Å; F106-K216 HydrophobicContact CZ-CB 3.68Å; F106-K216 HydrophobicContact CZ-CD 4.21Å; L132-K216 HydrophobicContact CD2-CB 3.9Å; L132-K216 HydrophobicContact CD2-CG 3.88Å; L135-K216 HydrophobicContact CD2-CB 4.5Å; L135-K216 HydrophobicContact CD2-CG 3.62Å; Y212-K216 WeakPolarHBondContact O-CB 3.49Å; Y212-K216 VanDerWaalsContact O-CG 3.29Å; Y212-K216 WeakPolarHBondContact O-CG 3.3Å; Y212-K216 PolarHBondContact O-N 3.33Å; A213-K216 WeakPolarHBondContact O-CB 3.26Å; A213-K216 PolarHBondContact O-N 3.16Å; K216-V219 PolarHBondContact O-N 3.36Å; K216-L220 VanDerWaalsContact O-CB 3.24Å; K216-L220 WeakPolarHBondContact O-CB 3.43Å; K216-L220 PolarHBondContact O-N 3.3Å |
| 217 | G | 96.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60 | -45.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A213 Y214 I215 V219 L220 F221 | A213-G217 PolarHBondContact O-N 3.46Å; Y214-G217 PolarHBondContact O-N 3.36Å; I215-G217 VanDerWaalsContact C-N 3.33Å; I215-G217 PolarHBondContact O-N 2.99Å; G217-V219 VanDerWaalsContact C-N 3.3Å; G217-V219 PolarHBondContact O-N 3.47Å; G217-L220 PolarHBondContact O-N 3.31Å; G217-F221 WeakPolarHBondContact O-CD2 3.37Å; G217-F221 PolarHBondContact O-N 3.39Å |
| 218 | A | 95.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 29.2 Ų | 29.2 | 2% | 0.017 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.6 | -32.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y214 I215 A241 H242 L267 | Y214-A218 WeakPolarHBondContact O-CB 3.44Å; Y214-A218 PolarHBondContact O-N 2.93Å; I215-A218 PolarHBondContact O-N 2.97Å; A218-A241 HydrophobicContact CB-CB 4.34Å; A218-H242 VanDerWaalsContact CB-CE1 3.43Å; A218-H242 WeakPolarHBondContact CB-CE1 3.35Å; A218-L267 HydrophobicContact CB-CD2 4.36Å |
| 219 | V | 96.4 | Very high | 95 | Very high | 11 Ų | 11 | 35.8 Ų | 35.8 | 7% | 0.067 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -77.4 | -43.9 | 175.1 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | C128 P131 L132 I215 K216 G217 L267 L270 | C128-V219 HydrophobicContact CB-CG1 4.24Å; P131-V219 HydrophobicContact CB-CG1 3.63Å; L132-V219 HydrophobicContact CD2-CB 3.86Å; L132-V219 HydrophobicContact CD2-CG1 3.71Å; L132-V219 HydrophobicContact CG-CB 4.48Å; L132-V219 HydrophobicContact CG-CG1 3.8Å; I215-V219 HydrophobicContact CG2-CG2 4.37Å; I215-V219 VanDerWaalsContact O-CG2 3.28Å; I215-V219 WeakPolarHBondContact O-CG2 3.23Å; I215-V219 PolarHBondContact O-N 3.01Å; K216-V219 PolarHBondContact O-N 3.36Å; G217-V219 VanDerWaalsContact C-N 3.3Å; G217-V219 PolarHBondContact O-N 3.47Å; V219-L267 HydrophobicContact CG2-CD1 3.34Å; V219-L270 HydrophobicContact CG2-CD2 3.9Å |
| 220 | L | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.7 | -48.3 | -178.4 | 175.5 | 58 | 0 | 0 | 0 | 111.4 | F106 V107 V110 F113 L124 K216 G217 N222 | F106-L220 HydrophobicContact CE1-CD2 4.3Å; V107-L220 HydrophobicContact CB-CD1 4.43Å; V107-L220 HydrophobicContact CG1-CD1 3.71Å; V107-L220 HydrophobicContact CG1-CD2 4.32Å; V107-L220 HydrophobicContact CG2-CD1 3.9Å; V107-L220 HydrophobicContact CG2-CD2 4.34Å; V110-L220 HydrophobicContact CG2-CD2 4.34Å; F113-L220 HydrophobicContact CD2-CD1 3.87Å; F113-L220 HydrophobicContact CD2-CD2 4.1Å; F113-L220 HydrophobicContact CD2-CG 4.18Å; F113-L220 HydrophobicContact CE2-CD1 3.85Å; L124-L220 WeakPolarHBondContact CD2-O 3.41Å; K216-L220 VanDerWaalsContact O-CB 3.24Å; K216-L220 WeakPolarHBondContact O-CB 3.43Å; K216-L220 PolarHBondContact O-N 3.3Å; G217-L220 PolarHBondContact O-N 3.31Å; L220-N222 VanDerWaalsContact C-N 3.25Å; L220-N222 PolarHBondContact O-N 3.44Å |
| 221 | F | 96.8 | Very high | 95.1 | Very high | 4 Ų | 4 | 37.9 Ų | 37.9 | 2% | 0.018 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -86.5 | 61.9 | -177.2 | -58.9 | -59 | 0 | 0 | 0 | 111.6 | V110 C112 F113 G217 S223 I234 L237 R238 | V110-F221 HydrophobicContact CG1-CZ 3.87Å; C112-F221 VanDerWaalsContact SG-CZ 3.55Å; F113-F221 HydrophobicContact CB-CE1 4.3Å; F113-F221 HydrophobicContact CB-CZ 4.49Å; F113-F221 HydrophobicContact CD2-CE1 4.41Å; G217-F221 WeakPolarHBondContact O-CD2 3.37Å; G217-F221 PolarHBondContact O-N 3.39Å; F221-S223 PolarHBondContact O-N 2.88Å; F221-I234 HydrophobicContact CB-CG2 4.06Å; F221-L237 HydrophobicContact CB-CB 4.16Å; F221-L237 HydrophobicContact CD1-CB 4.08Å; F221-L237 HydrophobicContact CD1-CD1 3.69Å; F221-L237 HydrophobicContact CD2-CB 3.72Å; F221-L237 HydrophobicContact CD2-CD1 4.46Å; F221-L237 HydrophobicContact CE1-CB 4.45Å; F221-L237 HydrophobicContact CE1-CD1 3.49Å; F221-L237 VanDerWaalsContact CE1-CD1 3.49Å; F221-L237 HydrophobicContact CE2-CB 4.12Å; F221-L237 HydrophobicContact CE2-CD1 4.29Å; F221-L237 HydrophobicContact CG-CB 3.71Å; F221-L237 HydrophobicContact CG-CD1 4.19Å; F221-L237 HydrophobicContact CZ-CB 4.46Å; F221-L237 HydrophobicContact CZ-CD1 3.81Å; F221-R238 HydrophobicContact CB-CB 4.16Å; F221-R238 VanDerWaalsContact O-CB 3.29Å; F221-R238 WeakPolarHBondContact O-CB 3.33Å; F221-R238 WeakPolarHBondContact O-CD 3.36Å; F221-R238 WeakPolarHBondContact O-CG 3.43Å |
| 222 | N | 94.1 | Very high | 95.1 | Very high | 25 Ų | 25 | 44.8 Ų | 44.8 | 13% | 0.134 | 24% | 0.236 | C | C | . | . | trans | -79.7 | 101.3 | 177.3 | -172.4 | 22.2 | 0 | 0 | 0 | 111.4 | L220 D224 L225 L228 R271 | L220-N222 VanDerWaalsContact C-N 3.25Å; L220-N222 PolarHBondContact O-N 3.44Å; N222-D224 PolarHBondContact O-N 3.26Å; N222-D224 PolarHBondContact OD1-N 3.12Å; N222-D224 PolarHBondContact OD1-OD2 2.96Å; N222-L225 HydrophobicContact CB-CD1 4.42Å; N222-L225 HydrophobicContact CB-CG 4.36Å; N222-L225 WeakPolarHBondContact ND2-CD2 3.42Å; N222-L228 WeakPolarHBondContact O-CD1 3.44Å; N222-R271 PolarHBondContact OD1-NH2 3.33Å | ||
| 223 | S | 93.6 | Very high | 95.1 | Very high | 13 Ų | 13 | 47.9 Ų | 47.9 | 9% | 0.091 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -10.2 | 177.1 | 56 | 0 | 0 | 0 | 0 | 114.9 | F221 L225 L231 R238 | F221-S223 PolarHBondContact O-N 2.88Å; S223-L225 PolarHBondContact O-N 3.36Å; S223-L231 WeakPolarHBondContact O-CD1 3.32Å; S223-R238 PolarHBondContact OG-NH1 3.3Å; S223-R238 VanDerWaalsContact OG-NH1 3.14Å |
| 224 | D | 93.2 | Very high | 95.1 | Very high | 100 Ų | 100 | 47.5 Ų | 47.5 | 54% | 0.535 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 8.2 | -170 | -49.5 | -28.1 | 0 | 0 | 0 | 112.4 | N222 R238 R271 | N222-D224 PolarHBondContact O-N 3.26Å; N222-D224 PolarHBondContact OD1-N 3.12Å; N222-D224 PolarHBondContact OD1-OD2 2.96Å; D224-R238 IonicContact OD1-NH1 3.07Å; D224-R238 PolarHBondContact OD1-NH1 3.22Å; D224-R238 VanDerWaalsContact OD1-NH1 3.07Å; D224-R238 IonicContact OD2-CZ 3.6Å; D224-R238 IonicContact OD2-NH1 2.78Å; D224-R238 PolarHBondContact OD2-NH1 3.31Å; D224-R238 IonicContact OD2-NH2 3.48Å; D224-R238 PolarHBondContact OD2-NH2 3.5Å; D224-R271 IonicContact OD2-NH2 3.74Å; D224-R271 PolarHBondContact OD2-NH2 3.06Å; D224-R271 VanDerWaalsContact OD2-NH2 3.11Å |
| 225 | L | 93.5 | Very high | 95.1 | Very high | 19 Ų | 19 | 50.8 Ų | 50.8 | 10% | 0.099 | 26% | 0.26 | C | S | . | . | trans | -86 | 129.1 | -176.8 | -57.6 | 178 | 0 | 0 | 0 | 111 | L123 L124 N127 N222 S223 L228 | L123-L225 HydrophobicContact CD2-CB 4.15Å; L123-L225 HydrophobicContact CG-CB 4.38Å; L123-L225 HydrophobicContact CG-CD1 4.11Å; L124-L225 HydrophobicContact CD2-CD1 3.95Å; N127-L225 HydrophobicContact CB-CD1 3.73Å; N127-L225 HydrophobicContact CB-CD2 3.9Å; N127-L225 HydrophobicContact CB-CG 4.48Å; N127-L225 VanDerWaalsContact CG-CD2 3.5Å; N222-L225 HydrophobicContact CB-CD1 4.42Å; N222-L225 HydrophobicContact CB-CG 4.36Å; N222-L225 WeakPolarHBondContact ND2-CD2 3.42Å; S223-L225 PolarHBondContact O-N 3.36Å; L225-L228 HydrophobicContact CB-CD1 3.9Å; L225-L228 HydrophobicContact CB-CG 4.05Å; L225-L228 WeakPolarHBondContact O-CG 3.43Å | ||
| 226 | P | 93.4 | Very high | 95.1 | Very high | 117 Ų | 117 | 52.8 Ų | 52.8 | 76% | 0.76 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | 141.1 | 174.6 | 29.3 | -33.8 | 0 | 0 | 0 | 110.4 | L123 | L123-P226 WeakPolarHBondContact CD2-O 3.41Š|
| 227 | G | 92.3 | Very high | 95.1 | Very high | 69 Ų | 69 | 53.4 Ų | 53.4 | 71% | 0.711 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.8 | -0.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | R229 | G227-R229 PolarHBondContact O-N 3.09Š|
| 228 | L | 95.1 | Very high | 95.1 | Very high | 21 Ų | 21 | 55.5 Ų | 55.5 | 11% | 0.11 | 29% | 0.287 | C | S | . | . | trans | -65.5 | 128.6 | 174.9 | -72 | 173.4 | 0 | 0 | 0 | 112 | D120 L123 L124 N222 L225 L231 I234 | D120-L228 HydrophobicContact CB-CD2 4.19Å; L123-L228 HydrophobicContact CD2-CD2 3.81Å; L123-L228 HydrophobicContact CD2-CG 4.03Å; L123-L228 HydrophobicContact CG-CD2 4.48Å; L124-L228 HydrophobicContact CD2-CD2 4.36Å; L124-L228 HydrophobicContact CG-CD2 4.44Å; N222-L228 WeakPolarHBondContact O-CD1 3.44Å; L225-L228 HydrophobicContact CB-CD1 3.9Å; L225-L228 HydrophobicContact CB-CG 4.05Å; L225-L228 WeakPolarHBondContact O-CG 3.43Å; L228-L231 HydrophobicContact CD1-CD1 4.43Å; L228-I234 HydrophobicContact CD1-CD1 4Å; L228-I234 HydrophobicContact CD2-CD1 3.66Å; L228-I234 HydrophobicContact CG-CD1 4.29Å | ||
| 229 | R | 94.2 | Very high | 95.1 | Very high | 178 Ų | 178 | 61.6 Ų | 61.6 | 67% | 0.672 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -84 | -37.9 | 178 | -59.5 | 177.6 | 69 | 159.6 | 1.9 | 111.7 | D119 D120 G227 | D119-R229 IonicContact OD2-NH1 3.61Å; D120-R229 PolarHBondContact OD1-N 3.16Å; D120-R229 PolarHBondContact OD2-N 2.97Å; D120-R229 VanDerWaalsContact OD2-N 3.17Å; G227-R229 PolarHBondContact O-N 3.09Å |
| 230 | Y | 94.4 | Very high | 95.1 | Very high | 124 Ų | 124 | 65.3 Ų | 65.3 | 49% | 0.486 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -101 | 43.9 | -178.8 | -84.5 | -111 | 0 | 0 | 0 | 112.8 | L116 P117 D120 H232 Y233 I234 | L116-Y230 HydrophobicContact CD2-CG 4.48Å; P117-Y230 HydrophobicContact CG-CD2 3.47Å; P117-Y230 VanDerWaalsContact CG-CD2 3.47Å; P117-Y230 HydrophobicContact CG-CE2 3.49Å; P117-Y230 VanDerWaalsContact CG-CE2 3.49Å; P117-Y230 HydrophobicContact CG-CG 4.45Å; D120-Y230 WeakPolarHBondContact OD2-CB 3.41Å; D120-Y230 PolarHBondContact OD2-N 3.48Å; Y230-H232 PolarHBondContact O-N 2.88Å; Y230-Y233 PolarHBondContact O-N 2.96Å; Y230-I234 WeakPolarHBondContact O-CG1 3.36Å; Y230-I234 PolarHBondContact O-N 2.89Å |
| 231 | L | 95.4 | Very high | 95 | Very high | 72 Ų | 72 | 65.4 Ų | 65.4 | 38% | 0.377 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -51.7 | -50.8 | -175.1 | 178.3 | 62.1 | 0 | 0 | 0 | 113.5 | S223 L228 Y233 I234 Q235 | S223-L231 WeakPolarHBondContact O-CD1 3.32Å; L228-L231 HydrophobicContact CD1-CD1 4.43Å; L231-Y233 VanDerWaalsContact C-N 3.33Å; L231-Y233 PolarHBondContact O-N 3.15Å; L231-I234 PolarHBondContact O-N 3Å; L231-Q235 VanDerWaalsContact O-CB 3.27Å; L231-Q235 WeakPolarHBondContact O-CB 3.27Å; L231-Q235 PolarHBondContact O-N 3.05Å |
| 232 | H | 95.6 | Very high | 95 | Very high | 146 Ų | 146 | 67.2 Ų | 67.2 | 68% | 0.676 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.8 | -35.1 | -176.8 | -71.2 | -61.8 | 0 | 0 | 0 | 113.2 | Y230 S236 | Y230-H232 PolarHBondContact O-N 2.88Å; H232-S236 WeakPolarHBondContact O-CB 3.24Å; H232-S236 PolarHBondContact O-N 2.79Å; H232-S236 PolarHBondContact O-OG 3.15Å |
| 233 | Y | 95.6 | Very high | 95.1 | Very high | 70 Ų | 70 | 70.5 Ų | 70.5 | 28% | 0.275 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -68.2 | -50.1 | 176.8 | 177.7 | -110.3 | 0 | 0 | 0 | 110.2 | C112 E115 L116 Y230 L231 Q235 S236 L237 | C112-Y233 WeakPolarHBondContact CA-OH 3.19Å; C112-Y233 WeakPolarHBondContact CB-OH 3.47Å; C112-Y233 WeakPolarHBondContact O-CE1 3.27Å; C112-Y233 PolarHBondContact O-OH 3.43Å; E115-Y233 PolarHBondContact OE2-OH 2.94Å; L116-Y233 HydrophobicContact CD2-CD1 3.58Å; L116-Y233 HydrophobicContact CD2-CE1 3.87Å; L116-Y233 HydrophobicContact CG-CE1 4.37Å; Y230-Y233 PolarHBondContact O-N 2.96Å; L231-Y233 VanDerWaalsContact C-N 3.33Å; L231-Y233 PolarHBondContact O-N 3.15Å; Y233-Q235 VanDerWaalsContact C-N 3.32Å; Y233-Q235 PolarHBondContact O-N 3.28Å; Y233-S236 WeakPolarHBondContact O-CA 3.49Å; Y233-S236 WeakPolarHBondContact O-CB 3.48Å; Y233-S236 PolarHBondContact O-N 3.31Å; Y233-L237 HydrophobicContact CD1-CD1 4Å; Y233-L237 HydrophobicContact CE1-CD1 3.54Å; Y233-L237 HydrophobicContact CE1-CG 4.33Å; Y233-L237 HydrophobicContact CE2-CD1 4.48Å; Y233-L237 HydrophobicContact CE2-CD2 4.47Å; Y233-L237 HydrophobicContact CE2-CG 4.48Å; Y233-L237 WeakPolarHBondContact O-CG 3.33Å; Y233-L237 PolarHBondContact O-N 3.45Å |
| 234 | I | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.9 | -43.6 | 176.6 | -64.6 | 167.1 | 0 | 0 | 0 | 111 | L116 L124 F221 L228 Y230 L231 S236 L237 R238 | L116-I234 HydrophobicContact CD1-CD1 4.42Å; L116-I234 HydrophobicContact CD1-CG1 4.28Å; L116-I234 HydrophobicContact CD2-CD1 4.09Å; L116-I234 HydrophobicContact CD2-CG1 3.81Å; L124-I234 HydrophobicContact CD1-CD1 4.14Å; L124-I234 HydrophobicContact CD2-CG2 4.47Å; F221-I234 HydrophobicContact CB-CG2 4.06Å; L228-I234 HydrophobicContact CD1-CD1 4Å; L228-I234 HydrophobicContact CD2-CD1 3.66Å; L228-I234 HydrophobicContact CG-CD1 4.29Å; Y230-I234 WeakPolarHBondContact O-CG1 3.36Å; Y230-I234 PolarHBondContact O-N 2.89Å; L231-I234 PolarHBondContact O-N 3Å; I234-S236 VanDerWaalsContact C-N 3.27Å; I234-S236 PolarHBondContact O-N 3.03Å; I234-L237 PolarHBondContact O-N 2.63Å; I234-R238 WeakPolarHBondContact O-CB 3.42Å; I234-R238 PolarHBondContact O-N 3.32Å |
| 235 | Q | 96.4 | Very high | 95.3 | Very high | 77 Ų | 77 | 65.6 Ų | 65.6 | 36% | 0.36 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.5 | -37.1 | 176.7 | -165.1 | -170.9 | 6.6 | 0 | 0 | 111.7 | L231 Y233 R238 R239 | L231-Q235 VanDerWaalsContact O-CB 3.27Å; L231-Q235 WeakPolarHBondContact O-CB 3.27Å; L231-Q235 PolarHBondContact O-N 3.05Å; Y233-Q235 VanDerWaalsContact C-N 3.32Å; Y233-Q235 PolarHBondContact O-N 3.28Å; Q235-R238 PolarHBondContact O-N 3.3Å; Q235-R239 WeakPolarHBondContact O-CG 3.47Å; Q235-R239 PolarHBondContact O-N 3.27Å |
| 236 | S | 96.5 | Very high | 95.4 | Very high | 49 Ų | 49 | 66.8 Ų | 66.8 | 34% | 0.343 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.7 | -44 | 177.2 | -57.5 | 0 | 0 | 0 | 0 | 111.7 | H232 Y233 I234 R238 R239 E240 | H232-S236 WeakPolarHBondContact O-CB 3.24Å; H232-S236 PolarHBondContact O-N 2.79Å; H232-S236 PolarHBondContact O-OG 3.15Å; Y233-S236 WeakPolarHBondContact O-CA 3.49Å; Y233-S236 WeakPolarHBondContact O-CB 3.48Å; Y233-S236 PolarHBondContact O-N 3.31Å; I234-S236 VanDerWaalsContact C-N 3.27Å; I234-S236 PolarHBondContact O-N 3.03Å; S236-R238 VanDerWaalsContact C-N 3.31Å; S236-R238 PolarHBondContact O-N 2.94Å; S236-R239 PolarHBondContact O-N 3.47Å; S236-R239 PolarHBondContact OG-NH2 3.06Å; S236-E240 PolarHBondContact O-N 3.17Å |
| 237 | L | 95.7 | Very high | 95.5 | Very high | 24 Ų | 24 | 66.2 Ų | 66.2 | 13% | 0.126 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -60 | -41.1 | 173.3 | -64.6 | 177.3 | 0 | 0 | 0 | 112.1 | C112 F221 Y233 I234 E240 A241 | C112-L237 HydrophobicContact CB-CD1 3.87Å; C112-L237 HydrophobicContact CB-CD2 3.82Å; F221-L237 HydrophobicContact CB-CB 4.16Å; F221-L237 HydrophobicContact CD1-CB 4.08Å; F221-L237 HydrophobicContact CD1-CD1 3.69Å; F221-L237 HydrophobicContact CD2-CB 3.72Å; F221-L237 HydrophobicContact CD2-CD1 4.46Å; F221-L237 HydrophobicContact CE1-CB 4.45Å; F221-L237 HydrophobicContact CE1-CD1 3.49Å; F221-L237 VanDerWaalsContact CE1-CD1 3.49Å; F221-L237 HydrophobicContact CE2-CB 4.12Å; F221-L237 HydrophobicContact CE2-CD1 4.29Å; F221-L237 HydrophobicContact CG-CB 3.71Å; F221-L237 HydrophobicContact CG-CD1 4.19Å; F221-L237 HydrophobicContact CZ-CB 4.46Å; F221-L237 HydrophobicContact CZ-CD1 3.81Å; Y233-L237 HydrophobicContact CD1-CD1 4Å; Y233-L237 HydrophobicContact CE1-CD1 3.54Å; Y233-L237 HydrophobicContact CE1-CG 4.33Å; Y233-L237 HydrophobicContact CE2-CD1 4.48Å; Y233-L237 HydrophobicContact CE2-CD2 4.47Å; Y233-L237 HydrophobicContact CE2-CG 4.48Å; Y233-L237 WeakPolarHBondContact O-CG 3.33Å; Y233-L237 PolarHBondContact O-N 3.45Å; I234-L237 PolarHBondContact O-N 2.63Å; L237-E240 PolarHBondContact O-N 3.42Å; L237-A241 PolarHBondContact O-N 3.23Å |
| 238 | R | 95.7 | Very high | 95.6 | Very high | 44 Ų | 44 | 64.1 Ų | 64.1 | 17% | 0.166 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61 | -45.9 | 174.9 | -169.6 | -176.7 | 176.3 | 171.4 | 0.5 | 111.6 | F221 S223 D224 I234 Q235 S236 E240 A241 H242 | F221-R238 HydrophobicContact CB-CB 4.16Å; F221-R238 VanDerWaalsContact O-CB 3.29Å; F221-R238 WeakPolarHBondContact O-CB 3.33Å; F221-R238 WeakPolarHBondContact O-CD 3.36Å; F221-R238 WeakPolarHBondContact O-CG 3.43Å; S223-R238 PolarHBondContact OG-NH1 3.3Å; S223-R238 VanDerWaalsContact OG-NH1 3.14Å; D224-R238 IonicContact OD1-NH1 3.07Å; D224-R238 PolarHBondContact OD1-NH1 3.22Å; D224-R238 VanDerWaalsContact OD1-NH1 3.07Å; D224-R238 IonicContact OD2-CZ 3.6Å; D224-R238 IonicContact OD2-NH1 2.78Å; D224-R238 PolarHBondContact OD2-NH1 3.31Å; D224-R238 IonicContact OD2-NH2 3.48Å; D224-R238 PolarHBondContact OD2-NH2 3.5Å; I234-R238 WeakPolarHBondContact O-CB 3.42Å; I234-R238 PolarHBondContact O-N 3.32Å; Q235-R238 PolarHBondContact O-N 3.3Å; S236-R238 VanDerWaalsContact C-N 3.31Å; S236-R238 PolarHBondContact O-N 2.94Å; R238-E240 VanDerWaalsContact C-N 3.34Å; R238-A241 PolarHBondContact O-N 2.95Å; R238-H242 PolarHBondContact O-N 3.33Å; R238-H242 VanDerWaalsContact O-N 3.14Å; R238-H242 PolarHBondContact O-ND1 3.48Å |
| 239 | R | 96 | Very high | 95.6 | Very high | 130 Ų | 130 | 63.3 Ų | 63.3 | 49% | 0.491 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.4 | -44.8 | 177.5 | -73.6 | -167.6 | -49.8 | -84.2 | -3.4 | 110.9 | Q235 S236 A241 H242 Q243 | Q235-R239 WeakPolarHBondContact O-CG 3.47Å; Q235-R239 PolarHBondContact O-N 3.27Å; S236-R239 PolarHBondContact O-N 3.47Å; S236-R239 PolarHBondContact OG-NH2 3.06Å; R239-A241 VanDerWaalsContact C-N 3.33Å; R239-A241 PolarHBondContact O-N 3.17Å; R239-H242 PolarHBondContact O-N 2.91Å; R239-Q243 WeakPolarHBondContact O-CB 3.45Å; R239-Q243 PolarHBondContact O-N 3.21Å |
| 240 | E | 95.6 | Very high | 95.6 | Very high | 90 Ų | 90 | 61.3 Ų | 61.3 | 42% | 0.421 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 178.4 | -164.1 | 66.4 | -153.7 | 0 | 0 | 111.6 | L22 S236 L237 R238 H242 Q243 A244 | L22-E240 HydrophobicContact CD1-CB 4.1Å; L22-E240 HydrophobicContact CD1-CG 3.66Å; S236-E240 PolarHBondContact O-N 3.17Å; L237-E240 PolarHBondContact O-N 3.42Å; R238-E240 VanDerWaalsContact C-N 3.34Å; E240-H242 PolarHBondContact O-N 3.48Å; E240-Q243 PolarHBondContact O-N 3.44Å; E240-A244 VanDerWaalsContact O-CB 3.3Å; E240-A244 WeakPolarHBondContact O-CB 3.44Å; E240-A244 PolarHBondContact O-N 3.17Å |
| 241 | A | 95.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | A218 L237 R238 R239 L245 | A218-A241 HydrophobicContact CB-CB 4.34Å; L237-A241 PolarHBondContact O-N 3.23Å; R238-A241 PolarHBondContact O-N 2.95Å; R239-A241 VanDerWaalsContact C-N 3.33Å; R239-A241 PolarHBondContact O-N 3.17Å; A241-L245 WeakPolarHBondContact O-CB 3.3Å; A241-L245 PolarHBondContact O-N 3.27Å; A241-L245 VanDerWaalsContact O-N 3.07Å |
| 242 | H | 95.5 | Very high | 95.5 | Very high | 42 Ų | 42 | 60 Ų | 60 | 19% | 0.194 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.5 | -38.5 | 176.1 | -73.2 | 80.9 | 0 | 0 | 0 | 112.2 | A218 R238 R239 E240 L245 N246 | A218-H242 VanDerWaalsContact CB-CE1 3.43Å; A218-H242 WeakPolarHBondContact CB-CE1 3.35Å; R238-H242 PolarHBondContact O-N 3.33Å; R238-H242 VanDerWaalsContact O-N 3.14Å; R238-H242 PolarHBondContact O-ND1 3.48Å; R239-H242 PolarHBondContact O-N 2.91Å; E240-H242 PolarHBondContact O-N 3.48Å; H242-L245 PolarHBondContact O-N 3.26Å; H242-N246 WeakPolarHBondContact O-CB 3.48Å; H242-N246 PolarHBondContact O-N 3.45Å |
| 243 | Q | 96.7 | Very high | 95.3 | Very high | 95 Ų | 95 | 55.7 Ų | 55.7 | 44% | 0.444 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.4 | -49.6 | 177.6 | 178.9 | 168.6 | -11.6 | 0 | 0 | 110.9 | R239 E240 L245 N246 E247 | R239-Q243 WeakPolarHBondContact O-CB 3.45Å; R239-Q243 PolarHBondContact O-N 3.21Å; E240-Q243 PolarHBondContact O-N 3.44Å; Q243-L245 VanDerWaalsContact C-N 3.25Å; Q243-L245 PolarHBondContact O-N 3.09Å; Q243-N246 WeakPolarHBondContact O-CB 3.4Å; Q243-N246 PolarHBondContact O-N 2.91Å; Q243-N246 VanDerWaalsContact O-N 3.07Å; Q243-E247 HydrophobicContact CG-CG 4.35Å; Q243-E247 VanDerWaalsContact CG-OE1 3.31Å; Q243-E247 WeakPolarHBondContact CG-OE1 3.44Å; Q243-E247 PolarHBondContact NE2-OE1 3.4Å; Q243-E247 WeakPolarHBondContact O-CG 3.36Å; Q243-E247 PolarHBondContact O-N 3.26Å |
| 244 | A | 96 | Very high | 95 | Very high | 5 Ų | 5 | 61.2 Ų | 61.2 | 4% | 0.041 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59 | -37.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | L22 Y214 E240 H248 | L22-A244 HydrophobicContact CD2-CB 3.95Å; Y214-A244 HydrophobicContact CD1-CB 3.79Å; Y214-A244 HydrophobicContact CE1-CB 3.6Å; Y214-A244 HydrophobicContact CG-CB 4.34Å; E240-A244 VanDerWaalsContact O-CB 3.3Å; E240-A244 WeakPolarHBondContact O-CB 3.44Å; E240-A244 PolarHBondContact O-N 3.17Å; A244-H248 WeakPolarHBondContact O-CB 3.44Å; A244-H248 PolarHBondContact O-N 3.29Å |
| 245 | L | 95.8 | Very high | 94.8 | Very high | 5 Ų | 5 | 69 Ų | 69 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63 | -49.2 | 172.5 | -178.2 | 60.5 | 0 | 0 | 0 | 111.9 | E211 Y214 I215 A241 H242 Q243 H248 V249 F260 L263 | E211-L245 HydrophobicContact CB-CD1 3.96Å; E211-L245 HydrophobicContact CG-CD1 3.84Å; Y214-L245 HydrophobicContact CD2-CB 4.2Å; Y214-L245 HydrophobicContact CD2-CD1 4.06Å; Y214-L245 HydrophobicContact CG-CB 4.29Å; I215-L245 HydrophobicContact CG1-CD2 4.05Å; A241-L245 WeakPolarHBondContact O-CB 3.3Å; A241-L245 PolarHBondContact O-N 3.27Å; A241-L245 VanDerWaalsContact O-N 3.07Å; H242-L245 PolarHBondContact O-N 3.26Å; Q243-L245 VanDerWaalsContact C-N 3.25Å; Q243-L245 PolarHBondContact O-N 3.09Å; L245-H248 PolarHBondContact O-N 3.23Å; L245-V249 HydrophobicContact CD1-CG2 4.29Å; L245-V249 WeakPolarHBondContact O-CB 3.31Å; L245-V249 VanDerWaalsContact O-CG2 3.3Å; L245-V249 WeakPolarHBondContact O-CG2 3.34Å; L245-V249 PolarHBondContact O-N 2.93Å; L245-F260 HydrophobicContact CB-CE2 4.22Å; L245-F260 HydrophobicContact CD2-CD2 4.36Å; L245-F260 HydrophobicContact CD2-CE2 4.05Å; L245-F260 HydrophobicContact CG-CD2 4.13Å; L245-F260 HydrophobicContact CG-CE2 4Å; L245-L263 HydrophobicContact CD1-CD1 3.97Å; L245-L263 HydrophobicContact CD2-CB 4.49Å; L245-L263 HydrophobicContact CD2-CD1 4.43Å; L245-L263 HydrophobicContact CG-CD1 4.43Å |
| 246 | N | 96.1 | Very high | 94.6 | Very high | 43 Ų | 43 | 67.5 Ų | 67.5 | 23% | 0.23 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.9 | -45.6 | -179.1 | -171.1 | 23.2 | 0 | 0 | 0 | 111.8 | H242 Q243 V249 K250 F260 | H242-N246 WeakPolarHBondContact O-CB 3.48Å; H242-N246 PolarHBondContact O-N 3.45Å; Q243-N246 WeakPolarHBondContact O-CB 3.4Å; Q243-N246 PolarHBondContact O-N 2.91Å; Q243-N246 VanDerWaalsContact O-N 3.07Å; N246-V249 PolarHBondContact O-N 3.19Å; N246-K250 WeakPolarHBondContact O-CB 3.48Å; N246-K250 WeakPolarHBondContact O-CG 3.02Å; N246-K250 PolarHBondContact O-N 2.8Å; N246-K250 WeakPolarHBondContact OD1-CE 3.42Å; N246-F260 HydrophobicContact CB-CD2 3.86Å; N246-F260 HydrophobicContact CB-CE1 4.34Å; N246-F260 HydrophobicContact CB-CE2 3.57Å; N246-F260 HydrophobicContact CB-CG 4.38Å; N246-F260 HydrophobicContact CB-CZ 3.83Å |
| 247 | E | 95.3 | Very high | 94.3 | Very high | 106 Ų | 106 | 71.2 Ų | 71.2 | 50% | 0.495 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 176.9 | -71.8 | 175.6 | -174.9 | 0 | 0 | 111.4 | Q243 K250 L251 | Q243-E247 HydrophobicContact CG-CG 4.35Å; Q243-E247 VanDerWaalsContact CG-OE1 3.31Å; Q243-E247 WeakPolarHBondContact CG-OE1 3.44Å; Q243-E247 PolarHBondContact NE2-OE1 3.4Å; Q243-E247 WeakPolarHBondContact O-CG 3.36Å; Q243-E247 PolarHBondContact O-N 3.26Å; E247-K250 PolarHBondContact O-N 3.06Å; E247-L251 VanDerWaalsContact O-CB 3.27Å; E247-L251 WeakPolarHBondContact O-CB 3.48Å; E247-L251 PolarHBondContact O-N 3.38Å |
| 248 | H | 94.6 | Very high | 94.3 | Very high | 24 Ų | 24 | 73.2 Ų | 73.2 | 11% | 0.111 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 176.7 | -177.3 | 65.8 | 0 | 0 | 0 | 112.4 | Y214 A244 L245 L251 I252 | Y214-H248 HydrophobicContact CD2-CB 4.37Å; Y214-H248 HydrophobicContact CE2-CB 3.69Å; Y214-H248 AromaticContact CE2-CG 3.91Å; A244-H248 WeakPolarHBondContact O-CB 3.44Å; A244-H248 PolarHBondContact O-N 3.29Å; L245-H248 PolarHBondContact O-N 3.23Å; H248-L251 PolarHBondContact O-N 2.83Å; H248-I252 VanDerWaalsContact CE1-CG1 3.42Å; H248-I252 WeakPolarHBondContact CE1-CG1 3.44Å; H248-I252 WeakPolarHBondContact O-CG1 3.46Å; H248-I252 PolarHBondContact O-N 3.39Å |
| 249 | V | 95.1 | Very high | 94.4 | Very high | 5 Ų | 5 | 71.8 Ų | 71.8 | 3% | 0.03 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -60.9 | -48.1 | 176.2 | 167.9 | 0 | 0 | 0 | 0 | 110.7 | L245 N246 L251 I252 H253 R259 F260 L263 | L245-V249 HydrophobicContact CD1-CG2 4.29Å; L245-V249 WeakPolarHBondContact O-CB 3.31Å; L245-V249 VanDerWaalsContact O-CG2 3.3Å; L245-V249 WeakPolarHBondContact O-CG2 3.34Å; L245-V249 PolarHBondContact O-N 2.93Å; N246-V249 PolarHBondContact O-N 3.19Å; V249-L251 PolarHBondContact O-N 3Å; V249-I252 PolarHBondContact O-N 3.06Å; V249-H253 HydrophobicContact CG1-CB 4.45Å; V249-H253 CarbonylContact O-C 3.59Å; V249-H253 WeakPolarHBondContact O-CA 3.37Å; V249-H253 WeakPolarHBondContact O-CB 3.1Å; V249-H253 PolarHBondContact O-N 2.99Å; V249-R259 HydrophobicContact CG1-CB 3.75Å; V249-R259 HydrophobicContact CG1-CG 4.07Å; V249-R259 HydrophobicContact CG2-CG 4.42Å; V249-F260 HydrophobicContact CG1-CB 4.17Å; V249-L263 HydrophobicContact CG2-CD1 3.78Å |
| 250 | K | 94.3 | Very high | 94.4 | Very high | 136 Ų | 136 | 67.7 Ų | 67.7 | 59% | 0.591 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -60.8 | -32.6 | 177.2 | -74.6 | 175.3 | 177.5 | 179.1 | 0 | 112.6 | N246 E247 R254 | N246-K250 WeakPolarHBondContact O-CB 3.48Å; N246-K250 WeakPolarHBondContact O-CG 3.02Å; N246-K250 PolarHBondContact O-N 2.8Å; N246-K250 WeakPolarHBondContact OD1-CE 3.42Å; E247-K250 PolarHBondContact O-N 3.06Å; K250-R254 WeakPolarHBondContact O-CG 3.43Å |
| 251 | L | 94 | Very high | 94.4 | Very high | 71 Ų | 71 | 65.9 Ų | 65.9 | 37% | 0.372 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -77.5 | -44.8 | -177.9 | -171.5 | 145.1 | 0 | 0 | 0 | 112.4 | E247 H248 V249 R254 | E247-L251 VanDerWaalsContact O-CB 3.27Å; E247-L251 WeakPolarHBondContact O-CB 3.48Å; E247-L251 PolarHBondContact O-N 3.38Å; H248-L251 PolarHBondContact O-N 2.83Å; V249-L251 PolarHBondContact O-N 3Å; L251-R254 PolarHBondContact O-NE 2.97Å |
| 252 | I | 93.6 | Very high | 94.5 | Very high | 96 Ų | 96 | 69 Ų | 69 | 49% | 0.492 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -91.1 | -38.2 | -173.8 | -58.9 | -65.9 | 0 | 0 | 0 | 112.4 | H248 V249 | H248-I252 VanDerWaalsContact CE1-CG1 3.42Å; H248-I252 WeakPolarHBondContact CE1-CG1 3.44Å; H248-I252 WeakPolarHBondContact O-CG1 3.46Å; H248-I252 PolarHBondContact O-N 3.39Å; V249-I252 PolarHBondContact O-N 3.06Å |
| 253 | H | 91.1 | Very high | 94.5 | Very high | 57 Ų | 57 | 67.1 Ų | 67.1 | 26% | 0.264 | 34% | 0.337 | S | S | . | . | trans | -114.2 | 56.1 | -173.8 | -59.8 | -78.9 | 0 | 0 | 0 | 111.1 | E211 V249 D255 D256 R259 | E211-H253 IonicContact OE1-CD2 3.84Å; E211-H253 IonicContact OE1-NE2 3.77Å; V249-H253 HydrophobicContact CG1-CB 4.45Å; V249-H253 CarbonylContact O-C 3.59Å; V249-H253 WeakPolarHBondContact O-CA 3.37Å; V249-H253 WeakPolarHBondContact O-CB 3.1Å; V249-H253 PolarHBondContact O-N 2.99Å; H253-D255 PolarHBondContact O-N 3.38Å; H253-D256 PolarHBondContact O-N 3.23Å; H253-D256 VanDerWaalsContact O-N 3.14Å; H253-R259 WeakPolarHBondContact CD2-CD 3.44Å; H253-R259 PolarHBondContact CD2-NE 3.01Å; H253-R259 PolarHBondContact NE2-NE 3.32Å; H253-R259 VanDerWaalsContact NE2-NE 3.19Å | ||
| 254 | R | 88.8 | Confident | 94.5 | Very high | 186 Ų | 186 | 65.3 Ų | 65.3 | 70% | 0.702 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.6 | -34.6 | -176.5 | -67.6 | 178.4 | -174 | -159.6 | 0.1 | 113.3 | K250 L251 | K250-R254 WeakPolarHBondContact O-CG 3.43Å; L251-R254 PolarHBondContact O-NE 2.97Å |
| 255 | D | 92.3 | Very high | 94.5 | Very high | 164 Ų | 164 | 69.9 Ų | 69.9 | 88% | 0.877 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -16.1 | -176.6 | -53.7 | -48.5 | 0 | 0 | 0 | 113.3 | H253 | H253-D255 PolarHBondContact O-N 3.38Š|
| 256 | D | 92.4 | Very high | 94.5 | Very high | 44 Ų | 44 | 69.8 Ų | 69.8 | 24% | 0.235 | 35% | 0.352 | C | S | . | . | trans | -104.8 | 77.6 | 175.2 | -171 | 0.8 | 0 | 0 | 0 | 110.9 | H253 T258 R259 K262 | H253-D256 PolarHBondContact O-N 3.23Å; H253-D256 VanDerWaalsContact O-N 3.14Å; D256-T258 PolarHBondContact O-N 2.95Å; D256-T258 PolarHBondContact OD1-N 3.01Å; D256-T258 VanDerWaalsContact OD1-N 3.16Å; D256-T258 PolarHBondContact OD1-OG1 3.44Å; D256-R259 HydrophobicContact CB-CB 4.11Å; D256-R259 WeakPolarHBondContact O-CB 3.13Å; D256-R259 PolarHBondContact O-N 3.46Å; D256-R259 PolarHBondContact OD1-N 2.9Å; D256-R259 VanDerWaalsContact OD1-N 3.17Å; D256-K262 IonicContact OD1-NZ 2.71Å; D256-K262 PolarHBondContact OD1-NZ 3.17Å; D256-K262 VanDerWaalsContact OD1-NZ 3.15Å; D256-K262 IonicContact OD2-NZ 3.32Å; D256-K262 PolarHBondContact OD2-NZ 3.47Å | ||
| 257 | T | 91 | Very high | 94.5 | Very high | 128 Ų | 128 | 68.5 Ų | 68.5 | 79% | 0.785 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -18.1 | 177 | 60 | 0 | 0 | 0 | 0 | 113.3 | ||
| 258 | T | 95.6 | Very high | 94.4 | Very high | 65 Ų | 65 | 67.1 Ų | 67.1 | 40% | 0.399 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -8.5 | -179.4 | 68.7 | 0 | 0 | 0 | 0 | 113.5 | D256 F260 A261 K262 | D256-T258 PolarHBondContact O-N 2.95Å; D256-T258 PolarHBondContact OD1-N 3.01Å; D256-T258 VanDerWaalsContact OD1-N 3.16Å; D256-T258 PolarHBondContact OD1-OG1 3.44Å; T258-F260 PolarHBondContact O-N 3.4Å; T258-A261 PolarHBondContact O-N 2.88Å; T258-A261 VanDerWaalsContact O-N 3.15Å; T258-K262 WeakPolarHBondContact O-CG 3.42Å; T258-K262 PolarHBondContact O-N 3.27Å; T258-K262 WeakPolarHBondContact OG1-CE 3.37Å; T258-K262 PolarHBondContact OG1-NZ 3.44Å |
| 259 | R | 96.1 | Very high | 94.5 | Very high | 14 Ų | 14 | 68.9 Ų | 68.9 | 5% | 0.053 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.8 | -45.1 | -174.9 | -174.9 | 173.1 | -180 | 85.2 | -4.2 | 112.6 | L205 D206 E211 V249 H253 D256 A261 K262 L263 | L205-R259 PolarHBondContact O-NH1 3.18Å; L205-R259 PolarHBondContact O-NH2 3.28Å; D206-R259 PolarHBondContact O-NH2 3.38Å; E211-R259 VanDerWaalsContact CD-NH2 3.31Å; E211-R259 IonicContact OE1-CZ 2.81Å; E211-R259 VanDerWaalsContact OE1-CZ 3.32Å; E211-R259 IonicContact OE1-NE 3.6Å; E211-R259 PolarHBondContact OE1-NE 3.11Å; E211-R259 IonicContact OE1-NH2 3.12Å; E211-R259 PolarHBondContact OE1-NH2 3.21Å; E211-R259 VanDerWaalsContact OE1-NH2 3.12Å; E211-R259 IonicContact OE2-CZ 3.15Å; E211-R259 IonicContact OE2-NE 3.06Å; E211-R259 IonicContact OE2-NH2 2.77Å; E211-R259 PolarHBondContact OE2-NH2 3.03Å; V249-R259 HydrophobicContact CG1-CB 3.75Å; V249-R259 HydrophobicContact CG1-CG 4.07Å; V249-R259 HydrophobicContact CG2-CG 4.42Å; H253-R259 WeakPolarHBondContact CD2-CD 3.44Å; H253-R259 PolarHBondContact CD2-NE 3.01Å; H253-R259 PolarHBondContact NE2-NE 3.32Å; H253-R259 VanDerWaalsContact NE2-NE 3.19Å; D256-R259 HydrophobicContact CB-CB 4.11Å; D256-R259 WeakPolarHBondContact O-CB 3.13Å; D256-R259 PolarHBondContact O-N 3.46Å; D256-R259 PolarHBondContact OD1-N 2.9Å; D256-R259 VanDerWaalsContact OD1-N 3.17Å; R259-A261 VanDerWaalsContact C-N 3.32Å; R259-A261 PolarHBondContact O-N 2.89Å; R259-K262 WeakPolarHBondContact O-CB 3.39Å; R259-K262 PolarHBondContact O-N 3.41Å; R259-K262 VanDerWaalsContact O-N 3.14Å; R259-L263 HydrophobicContact CG-CD1 4.22Å; R259-L263 HydrophobicContact CG-CG 4.43Å; R259-L263 WeakPolarHBondContact O-CG 3.29Å; R259-L263 PolarHBondContact O-N 2.94Å |
| 260 | F | 96.3 | Very high | 94.5 | Very high | 44 Ų | 44 | 68.7 Ų | 68.7 | 19% | 0.193 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -58.8 | -45.3 | 178.7 | -176.3 | -111.1 | 0 | 0 | 0 | 111.2 | L245 N246 V249 T258 K262 L263 L264 | L245-F260 HydrophobicContact CB-CE2 4.22Å; L245-F260 HydrophobicContact CD2-CD2 4.36Å; L245-F260 HydrophobicContact CD2-CE2 4.05Å; L245-F260 HydrophobicContact CG-CD2 4.13Å; L245-F260 HydrophobicContact CG-CE2 4Å; N246-F260 HydrophobicContact CB-CD2 3.86Å; N246-F260 HydrophobicContact CB-CE1 4.34Å; N246-F260 HydrophobicContact CB-CE2 3.57Å; N246-F260 HydrophobicContact CB-CG 4.38Å; N246-F260 HydrophobicContact CB-CZ 3.83Å; V249-F260 HydrophobicContact CG1-CB 4.17Å; T258-F260 PolarHBondContact O-N 3.4Å; F260-K262 PolarHBondContact O-N 3.08Å; F260-L263 PolarHBondContact O-N 2.77Å; F260-L264 HydrophobicContact CD1-CD1 4.05Å; F260-L264 HydrophobicContact CD1-CG 4.42Å; F260-L264 HydrophobicContact CE1-CD1 3.57Å; F260-L264 HydrophobicContact CE1-CD2 4.49Å; F260-L264 HydrophobicContact CE1-CG 4.12Å; F260-L264 HydrophobicContact CE2-CD2 4.41Å; F260-L264 HydrophobicContact CZ-CD1 4Å; F260-L264 HydrophobicContact CZ-CD2 4.1Å; F260-L264 HydrophobicContact CZ-CG 4.2Å; F260-L264 WeakPolarHBondContact O-CG 3.26Å; F260-L264 PolarHBondContact O-N 2.97Å |
| 261 | A | 96.5 | Very high | 94.4 | Very high | 52 Ų | 52 | 67.1 Ų | 67.1 | 43% | 0.43 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T258 R259 L263 L264 I265 | T258-A261 PolarHBondContact O-N 2.88Å; T258-A261 VanDerWaalsContact O-N 3.15Å; R259-A261 VanDerWaalsContact C-N 3.32Å; R259-A261 PolarHBondContact O-N 2.89Å; A261-L263 VanDerWaalsContact C-N 3.29Å; A261-L263 PolarHBondContact O-N 3.46Å; A261-L264 PolarHBondContact O-N 3.45Å; A261-I265 VanDerWaalsContact O-CG1 3.31Å; A261-I265 WeakPolarHBondContact O-CG1 3.3Å; A261-I265 PolarHBondContact O-N 3.24Å |
| 262 | K | 97.1 | Very high | 94.4 | Very high | 67 Ų | 67 | 67.7 Ų | 67.7 | 29% | 0.291 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.7 | -39 | 174.6 | -67.4 | 168.3 | -174.7 | 157.2 | 0 | 111.9 | L205 D256 T258 R259 F260 T266 | L205-K262 HydrophobicContact CD1-CB 4.31Å; L205-K262 HydrophobicContact CD2-CB 3.96Å; L205-K262 HydrophobicContact CD2-CD 3.89Å; L205-K262 HydrophobicContact CD2-CG 4.42Å; D256-K262 IonicContact OD1-NZ 2.71Å; D256-K262 PolarHBondContact OD1-NZ 3.17Å; D256-K262 VanDerWaalsContact OD1-NZ 3.15Å; D256-K262 IonicContact OD2-NZ 3.32Å; D256-K262 PolarHBondContact OD2-NZ 3.47Å; T258-K262 WeakPolarHBondContact O-CG 3.42Å; T258-K262 PolarHBondContact O-N 3.27Å; T258-K262 WeakPolarHBondContact OG1-CE 3.37Å; T258-K262 PolarHBondContact OG1-NZ 3.44Å; R259-K262 WeakPolarHBondContact O-CB 3.39Å; R259-K262 PolarHBondContact O-N 3.41Å; R259-K262 VanDerWaalsContact O-N 3.14Å; F260-K262 PolarHBondContact O-N 3.08Å; K262-T266 PolarHBondContact O-N 3.39Å; K262-T266 PolarHBondContact O-OG1 2.91Å |
| 263 | L | 97.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.01 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.4 | -39.3 | 176.3 | -65.2 | 173.5 | 0 | 0 | 0 | 111.8 | L205 I207 E211 I215 L245 V249 R259 F260 A261 T266 L267 | L205-L263 HydrophobicContact CD1-CD2 4.32Å; I207-L263 HydrophobicContact CD1-CD2 4Å; I207-L263 HydrophobicContact CG1-CD2 3.87Å; E211-L263 HydrophobicContact CG-CD1 4.42Å; I215-L263 HydrophobicContact CD1-CD2 4.24Å; L245-L263 HydrophobicContact CD1-CD1 3.97Å; L245-L263 HydrophobicContact CD2-CB 4.49Å; L245-L263 HydrophobicContact CD2-CD1 4.43Å; L245-L263 HydrophobicContact CG-CD1 4.43Å; V249-L263 HydrophobicContact CG2-CD1 3.78Å; R259-L263 HydrophobicContact CG-CD1 4.22Å; R259-L263 HydrophobicContact CG-CG 4.43Å; R259-L263 WeakPolarHBondContact O-CG 3.29Å; R259-L263 PolarHBondContact O-N 2.94Å; F260-L263 PolarHBondContact O-N 2.77Å; A261-L263 VanDerWaalsContact C-N 3.29Å; A261-L263 PolarHBondContact O-N 3.46Å; L263-T266 WeakPolarHBondContact O-CB 3.42Å; L263-T266 PolarHBondContact O-N 2.89Å; L263-L267 PolarHBondContact O-N 3.34Å |
| 264 | L | 95.9 | Very high | 94.6 | Very high | 58 Ų | 58 | 63.5 Ų | 63.5 | 30% | 0.304 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.8 | -39.7 | 173.7 | -65.9 | -174.7 | 0 | 0 | 0 | 112.5 | F260 A261 T266 L267 S268 | F260-L264 HydrophobicContact CD1-CD1 4.05Å; F260-L264 HydrophobicContact CD1-CG 4.42Å; F260-L264 HydrophobicContact CE1-CD1 3.57Å; F260-L264 HydrophobicContact CE1-CD2 4.49Å; F260-L264 HydrophobicContact CE1-CG 4.12Å; F260-L264 HydrophobicContact CE2-CD2 4.41Å; F260-L264 HydrophobicContact CZ-CD1 4Å; F260-L264 HydrophobicContact CZ-CD2 4.1Å; F260-L264 HydrophobicContact CZ-CG 4.2Å; F260-L264 WeakPolarHBondContact O-CG 3.26Å; F260-L264 PolarHBondContact O-N 2.97Å; A261-L264 PolarHBondContact O-N 3.45Å; L264-T266 VanDerWaalsContact C-N 3.28Å; L264-T266 PolarHBondContact O-N 3.11Å; L264-L267 WeakPolarHBondContact O-CB 3.46Å; L264-L267 PolarHBondContact O-N 3.06Å; L264-S268 PolarHBondContact O-N 3.08Å; L264-S268 PolarHBondContact O-OG 3.34Å |
| 265 | I | 95.9 | Very high | 94.9 | Very high | 101 Ų | 101 | 57.1 Ų | 57.1 | 52% | 0.518 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -61.5 | -41 | 173 | -68.1 | 163.8 | 0 | 0 | 0 | 110.4 | A261 L267 S268 M269 | A261-I265 VanDerWaalsContact O-CG1 3.31Å; A261-I265 WeakPolarHBondContact O-CG1 3.3Å; A261-I265 PolarHBondContact O-N 3.24Å; I265-L267 VanDerWaalsContact C-N 3.33Å; I265-L267 PolarHBondContact O-N 2.81Å; I265-S268 WeakPolarHBondContact O-CB 3.46Å; I265-S268 PolarHBondContact O-N 2.9Å; I265-M269 WeakPolarHBondContact O-CG 3.44Å; I265-M269 PolarHBondContact O-N 3.24Å |
| 266 | T | 95.9 | Very high | 94.9 | Very high | 3 Ų | 3 | 52.4 Ų | 52.4 | 2% | 0.018 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.9 | -40.3 | 176.1 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | F198 C202 L205 I207 K262 L263 L264 M269 L270 | F198-T266 HydrophobicContact CD2-CG2 4.05Å; F198-T266 HydrophobicContact CE2-CG2 3.58Å; F198-T266 WeakPolarHBondContact CE2-O 3.38Å; F198-T266 HydrophobicContact CZ-CG2 4.45Å; C202-T266 VanDerWaalsContact SG-CG2 3.53Å; L205-T266 VanDerWaalsContact CD1-OG1 3.24Å; L205-T266 WeakPolarHBondContact CD1-OG1 3.49Å; I207-T266 HydrophobicContact CD1-CG2 4.46Å; K262-T266 PolarHBondContact O-N 3.39Å; K262-T266 PolarHBondContact O-OG1 2.91Å; L263-T266 WeakPolarHBondContact O-CB 3.42Å; L263-T266 PolarHBondContact O-N 2.89Å; L264-T266 VanDerWaalsContact C-N 3.28Å; L264-T266 PolarHBondContact O-N 3.11Å; T266-M269 WeakPolarHBondContact O-CB 3.48Å; T266-M269 PolarHBondContact O-N 2.79Å; T266-L270 PolarHBondContact O-N 3.36Å |
| 267 | L | 95 | Very high | 95.1 | Very high | 15 Ų | 15 | 51 Ų | 51 | 8% | 0.079 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.9 | -39.6 | 172.7 | -179.2 | 61.8 | 0 | 0 | 0 | 112 | I215 A218 V219 L263 L264 I265 L270 R271 | I215-L267 HydrophobicContact CG2-CD1 4.28Å; A218-L267 HydrophobicContact CB-CD2 4.36Å; V219-L267 HydrophobicContact CG2-CD1 3.34Å; L263-L267 PolarHBondContact O-N 3.34Å; L264-L267 WeakPolarHBondContact O-CB 3.46Å; L264-L267 PolarHBondContact O-N 3.06Å; I265-L267 VanDerWaalsContact C-N 3.33Å; I265-L267 PolarHBondContact O-N 2.81Å; L267-L270 WeakPolarHBondContact O-CB 2.99Å; L267-L270 PolarHBondContact O-N 2.72Å; L267-R271 WeakPolarHBondContact O-CG 3.38Å; L267-R271 PolarHBondContact O-N 3.41Å |
| 268 | S | 94.8 | Very high | 95.3 | Very high | 77 Ų | 77 | 44.9 Ų | 44.9 | 54% | 0.538 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 174.6 | -59.8 | 0 | 0 | 0 | 0 | 112.4 | L264 I265 L270 R271 A272 | L264-S268 PolarHBondContact O-N 3.08Å; L264-S268 PolarHBondContact O-OG 3.34Å; I265-S268 WeakPolarHBondContact O-CB 3.46Å; I265-S268 PolarHBondContact O-N 2.9Å; S268-L270 VanDerWaalsContact C-N 3.28Å; S268-L270 PolarHBondContact O-N 3.47Å; S268-R271 PolarHBondContact O-N 2.81Å; S268-A272 PolarHBondContact O-N 2.89Å |
| 269 | M | 95.8 | Very high | 95.3 | Very high | 61 Ų | 61 | 42.7 Ų | 42.7 | 30% | 0.3 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.6 | -40.8 | 172.9 | -67.9 | 175.6 | 69.7 | 0 | 0 | 111.4 | A197 F198 K201 I265 T266 R271 A272 | A197-M269 HydrophobicContact CB-CE 4.16Å; F198-M269 HydrophobicContact CB-CE 4.36Å; F198-M269 HydrophobicContact CD2-CB 4.12Å; K201-M269 HydrophobicContact CB-CE 4.46Å; K201-M269 HydrophobicContact CB-SD 4.42Å; K201-M269 HydrophobicContact CG-SD 4.2Å; I265-M269 WeakPolarHBondContact O-CG 3.44Å; I265-M269 PolarHBondContact O-N 3.24Å; T266-M269 WeakPolarHBondContact O-CB 3.48Å; T266-M269 PolarHBondContact O-N 2.79Å; M269-R271 PolarHBondContact O-N 2.97Å; M269-A272 WeakPolarHBondContact O-CB 3.48Å; M269-A272 PolarHBondContact O-N 2.83Å |
| 270 | L | 95.5 | Very high | 95.2 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 177.9 | -171 | 57.5 | 0 | 0 | 0 | 112.3 | P131 V134 L135 F198 V219 T266 L267 S268 A272 I273 | P131-L270 HydrophobicContact CB-CD1 4.35Å; P131-L270 HydrophobicContact CB-CD2 4.18Å; P131-L270 HydrophobicContact CB-CG 3.94Å; P131-L270 WeakPolarHBondContact O-CD1 3.39Å; V134-L270 HydrophobicContact CB-CD1 4.03Å; V134-L270 HydrophobicContact CG1-CD1 4.13Å; L135-L270 HydrophobicContact CB-CD2 4.05Å; L135-L270 HydrophobicContact CD1-CD2 4.38Å; L135-L270 HydrophobicContact CD2-CD2 4.49Å; F198-L270 HydrophobicContact CD1-CD1 4.31Å; F198-L270 HydrophobicContact CD2-CB 4.11Å; F198-L270 HydrophobicContact CD2-CD1 4.36Å; F198-L270 HydrophobicContact CE1-CD1 3.85Å; F198-L270 HydrophobicContact CE2-CB 3.64Å; F198-L270 HydrophobicContact CE2-CD1 3.89Å; F198-L270 HydrophobicContact CE2-CD2 4.35Å; F198-L270 HydrophobicContact CE2-CG 4.15Å; F198-L270 HydrophobicContact CZ-CB 4.16Å; F198-L270 HydrophobicContact CZ-CD1 3.61Å; F198-L270 HydrophobicContact CZ-CD2 4.12Å; F198-L270 HydrophobicContact CZ-CG 4.17Å; V219-L270 HydrophobicContact CG2-CD2 3.9Å; T266-L270 PolarHBondContact O-N 3.36Å; L267-L270 WeakPolarHBondContact O-CB 2.99Å; L267-L270 PolarHBondContact O-N 2.72Å; S268-L270 VanDerWaalsContact C-N 3.28Å; S268-L270 PolarHBondContact O-N 3.47Å; L270-A272 PolarHBondContact O-N 3.3Å; L270-I273 HydrophobicContact CD1-CD1 4.07Å; L270-I273 WeakPolarHBondContact O-CB 3.33Å; L270-I273 PolarHBondContact O-N 3.02Å |
| 271 | R | 92.9 | Very high | 95.1 | Very high | 104 Ų | 104 | 43.4 Ų | 43.4 | 39% | 0.392 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -65.7 | -21.8 | 177.1 | -67.7 | 177.8 | 93.6 | 98.5 | -4 | 113.2 | N222 D224 L267 S268 M269 I273 | N222-R271 PolarHBondContact OD1-NH2 3.33Å; D224-R271 IonicContact OD2-NH2 3.74Å; D224-R271 PolarHBondContact OD2-NH2 3.06Å; D224-R271 VanDerWaalsContact OD2-NH2 3.11Å; L267-R271 WeakPolarHBondContact O-CG 3.38Å; L267-R271 PolarHBondContact O-N 3.41Å; S268-R271 PolarHBondContact O-N 2.81Å; M269-R271 PolarHBondContact O-N 2.97Å; R271-I273 VanDerWaalsContact C-N 3.29Å |
| 272 | A | 93.1 | Very high | 95.1 | Very high | 83 Ų | 83 | 40.9 Ų | 40.9 | 69% | 0.686 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79 | -10.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S268 M269 L270 S274 | S268-A272 PolarHBondContact O-N 2.89Å; M269-A272 WeakPolarHBondContact O-CB 3.48Å; M269-A272 PolarHBondContact O-N 2.83Å; L270-A272 PolarHBondContact O-N 3.3Å; A272-S274 PolarHBondContact O-N 3.45Å |
| 273 | I | 93.9 | Very high | 95 | Very high | 15 Ų | 15 | 37.9 Ų | 37.9 | 8% | 0.077 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -80.7 | 119.9 | -178.9 | -62.1 | 174.3 | 0 | 0 | 0 | 109.7 | V134 I195 F198 L270 R271 V278 | V134-I273 HydrophobicContact CB-CD1 4.5Å; V134-I273 HydrophobicContact CG1-CD1 3.81Å; V134-I273 HydrophobicContact CG2-CG2 4.4Å; I195-I273 HydrophobicContact CD1-CG2 4.2Å; I195-I273 HydrophobicContact CG1-CD1 4.1Å; I195-I273 HydrophobicContact CG1-CG1 4.3Å; I195-I273 HydrophobicContact CG1-CG2 3.87Å; F198-I273 HydrophobicContact CB-CD1 4.14Å; F198-I273 HydrophobicContact CD1-CD1 4.4Å; F198-I273 HydrophobicContact CG-CD1 4.22Å; L270-I273 HydrophobicContact CD1-CD1 4.07Å; L270-I273 WeakPolarHBondContact O-CB 3.33Å; L270-I273 PolarHBondContact O-N 3.02Å; R271-I273 VanDerWaalsContact C-N 3.29Å; I273-V278 HydrophobicContact CG2-CG2 3.6Å |
| 274 | S | 94.2 | Very high | 94.8 | Very high | 50 Ų | 50 | 41.1 Ų | 41.1 | 35% | 0.35 | 24% | 0.24 | S | C | . | . | trans | -71.9 | 129.5 | 179.5 | 173.5 | 0 | 0 | 0 | 0 | 112 | A272 A276 V277 V278 | A272-S274 PolarHBondContact O-N 3.45Å; S274-A276 PolarHBondContact O-N 3.05Å; S274-A276 PolarHBondContact OG-N 2.96Å; S274-V277 WeakPolarHBondContact O-CB 3.45Å; S274-V277 PolarHBondContact O-N 2.91Å; S274-V278 PolarHBondContact O-N 3.48Å | ||
| 275 | P | 94.9 | Very high | 94.6 | Very high | 51 Ų | 51 | 41.8 Ų | 41.8 | 33% | 0.331 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.2 | -35 | 172.9 | -24 | 33.5 | 0 | 0 | 0 | 113.2 | W129 A130 V277 V278 A279 | W129-P275 HydrophobicContact CZ2-CB 3.82Å; A130-P275 HydrophobicContact CB-CB 3.75Å; A130-P275 HydrophobicContact CB-CG 4.1Å; P275-V277 VanDerWaalsContact C-N 3.34Å; P275-V277 PolarHBondContact O-N 2.82Å; P275-V278 PolarHBondContact O-N 3.17Å; P275-A279 WeakPolarHBondContact O-CB 3.45Å; P275-A279 PolarHBondContact O-N 3.5Å |
| 276 | A | 94.1 | Very high | 94.4 | Very high | 66 Ų | 66 | 40.9 Ų | 40.9 | 55% | 0.545 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -64.7 | -39.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.8 | S274 A279 Q280 | S274-A276 PolarHBondContact O-N 3.05Å; S274-A276 PolarHBondContact OG-N 2.96Å; A276-A279 PolarHBondContact O-N 2.8Å; A276-Q280 VanDerWaalsContact O-CB 3.29Å; A276-Q280 WeakPolarHBondContact O-CB 3.21Å; A276-Q280 PolarHBondContact O-N 3.04Å |
| 277 | V | 94.9 | Very high | 94.1 | Very high | 13 Ų | 13 | 42.9 Ų | 42.9 | 8% | 0.079 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.4 | -44.3 | 175 | 166 | 0 | 0 | 0 | 0 | 110.9 | V187 D191 I195 S274 P275 Q280 L281 | V187-V277 HydrophobicContact CG1-CB 4.4Å; V187-V277 HydrophobicContact CG1-CG1 3.56Å; V187-V277 HydrophobicContact CG1-CG2 4.29Å; D191-V277 HydrophobicContact CB-CB 4.47Å; D191-V277 HydrophobicContact CB-CG1 3.88Å; D191-V277 HydrophobicContact CB-CG2 3.89Å; I195-V277 HydrophobicContact CD1-CG1 4.03Å; S274-V277 WeakPolarHBondContact O-CB 3.45Å; S274-V277 PolarHBondContact O-N 2.91Å; P275-V277 VanDerWaalsContact C-N 3.34Å; P275-V277 PolarHBondContact O-N 2.82Å; V277-Q280 PolarHBondContact O-N 3.22Å; V277-L281 VanDerWaalsContact O-CB 3.26Å; V277-L281 WeakPolarHBondContact O-CB 3.36Å; V277-L281 PolarHBondContact O-N 2.9Å |
| 278 | V | 96.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -62.9 | -45.6 | 178.1 | 174.2 | 0 | 0 | 0 | 0 | 110.7 | W129 A130 L133 V134 I195 I273 S274 P275 L281 F282 F283 | W129-V278 HydrophobicContact CH2-CB 4.25Å; W129-V278 HydrophobicContact CH2-CG1 3.98Å; W129-V278 HydrophobicContact CZ3-CG1 3.78Å; A130-V278 HydrophobicContact CB-CB 4.11Å; A130-V278 HydrophobicContact CB-CG1 4.18Å; A130-V278 HydrophobicContact CB-CG2 4.18Å; L133-V278 HydrophobicContact CD2-CG1 3.59Å; V134-V278 HydrophobicContact CG2-CG2 3.88Å; I195-V278 HydrophobicContact CD1-CG2 4.27Å; I273-V278 HydrophobicContact CG2-CG2 3.6Å; S274-V278 PolarHBondContact O-N 3.48Å; P275-V278 PolarHBondContact O-N 3.17Å; V278-L281 PolarHBondContact O-N 3.08Å; V278-F282 HydrophobicContact CG1-CD2 3.97Å; V278-F282 WeakPolarHBondContact O-CD2 3.41Å; V278-F282 PolarHBondContact O-N 3.34Å; V278-F283 HydrophobicContact CG1-CE2 4.36Å |
| 279 | A | 95.6 | Very high | 93.6 | Very high | 20 Ų | 20 | 45.2 Ų | 45.2 | 17% | 0.165 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59 | -49.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | W129 P275 A276 L281 F283 K284 M292 | W129-A279 HydrophobicContact CH2-CB 4Å; W129-A279 HydrophobicContact CZ2-CB 4.43Å; P275-A279 WeakPolarHBondContact O-CB 3.45Å; P275-A279 PolarHBondContact O-N 3.5Å; A276-A279 PolarHBondContact O-N 2.8Å; A279-L281 PolarHBondContact O-N 3.18Å; A279-F283 CarbonylContact O-C 3.5Å; A279-F283 WeakPolarHBondContact O-CA 3.3Å; A279-F283 PolarHBondContact O-N 3.49Å; A279-K284 PolarHBondContact O-N 3.45Å; A279-M292 HydrophobicContact CB-CB 4.15Å; A279-M292 HydrophobicContact CB-CG 4.24Å |
| 280 | Q | 93.7 | Very high | 93.4 | Very high | 67 Ų | 67 | 46.2 Ų | 46.2 | 31% | 0.313 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.1 | -39.3 | -178.6 | -170.9 | 175.7 | 6.1 | 0 | 0 | 112.4 | V187 A276 V277 K284 | V187-Q280 HydrophobicContact CG2-CB 3.92Å; V187-Q280 HydrophobicContact CG2-CG 3.69Å; A276-Q280 VanDerWaalsContact O-CB 3.29Å; A276-Q280 WeakPolarHBondContact O-CB 3.21Å; A276-Q280 PolarHBondContact O-N 3.04Å; V277-Q280 PolarHBondContact O-N 3.22Å; Q280-K284 HydrophobicContact CG-CD 4.28Å; Q280-K284 WeakPolarHBondContact O-CB 3.22Å |
| 281 | L | 94.8 | Very high | 93.2 | Very high | 5 Ų | 5 | 50.1 Ų | 50.1 | 3% | 0.026 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -77 | -45.6 | -176.7 | -171.2 | 60.3 | 0 | 0 | 0 | 112.4 | L86 F144 V187 I192 I195 V277 V278 A279 | L86-L281 WeakPolarHBondContact CD1-O 3.01Å; L86-L281 HydrophobicContact CD2-CD1 3.98Å; L86-L281 HydrophobicContact CD2-CD2 4.49Å; L86-L281 HydrophobicContact CD2-CG 4.07Å; L86-L281 HydrophobicContact CG-CD1 3.84Å; L86-L281 HydrophobicContact CG-CG 4.16Å; F144-L281 HydrophobicContact CE2-CD2 4.14Å; F144-L281 HydrophobicContact CZ-CD2 4.47Å; V187-L281 HydrophobicContact CG2-CB 4.15Å; V187-L281 HydrophobicContact CG2-CD1 4.36Å; I192-L281 HydrophobicContact CD1-CD1 4.38Å; I192-L281 HydrophobicContact CG1-CD2 4.25Å; I192-L281 HydrophobicContact CG2-CD2 3.9Å; I195-L281 HydrophobicContact CD1-CD2 4.42Å; V277-L281 VanDerWaalsContact O-CB 3.26Å; V277-L281 WeakPolarHBondContact O-CB 3.36Å; V277-L281 PolarHBondContact O-N 2.9Å; V278-L281 PolarHBondContact O-N 3.08Å; A279-L281 PolarHBondContact O-N 3.18Å |
| 282 | F | 95.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -106.7 | -20.1 | -166.8 | -60.2 | -68.6 | 0 | 0 | 0 | 114.9 | L86 T92 C93 A96 F137 F144 I195 V278 | L86-F282 HydrophobicContact CD1-CD1 4.11Å; L86-F282 HydrophobicContact CD2-CD1 4.49Å; L86-F282 HydrophobicContact CD2-CE1 4.13Å; T92-F282 HydrophobicContact CG2-CD1 3.85Å; T92-F282 HydrophobicContact CG2-CE1 3.8Å; C93-F282 WeakPolarHBondContact CB-O 3.36Å; C93-F282 PolarHBondContact SG-O 3.37Å; A96-F282 HydrophobicContact CB-CB 3.81Å; A96-F282 HydrophobicContact CB-CD1 4.5Å; A96-F282 HydrophobicContact CB-CG 4.38Å; F137-F282 HydrophobicContact CD2-CZ 4.41Å; F137-F282 HydrophobicContact CE2-CD1 4.13Å; F137-F282 HydrophobicContact CE2-CD2 4.08Å; F137-F282 AromaticContact CE2-CE1 3.88Å; F137-F282 HydrophobicContact CE2-CE1 3.88Å; F137-F282 AromaticContact CE2-CE2 3.82Å; F137-F282 HydrophobicContact CE2-CE2 3.82Å; F137-F282 HydrophobicContact CE2-CG 4.22Å; F137-F282 AromaticContact CE2-CZ 3.72Å; F137-F282 HydrophobicContact CE2-CZ 3.72Å; F137-F282 HydrophobicContact CZ-CD1 4.34Å; F137-F282 HydrophobicContact CZ-CE1 4.46Å; F137-F282 HydrophobicContact CZ-CG 4.41Å; F144-F282 AromaticContact CD1-CE1 3.98Å; F144-F282 HydrophobicContact CD1-CE1 3.98Å; F144-F282 HydrophobicContact CD1-CZ 4.05Å; F144-F282 HydrophobicContact CD2-CE1 4.39Å; F144-F282 HydrophobicContact CE1-CE1 4.07Å; F144-F282 AromaticContact CE1-CZ 3.65Å; F144-F282 HydrophobicContact CE1-CZ 3.65Å; F144-F282 HydrophobicContact CE2-CE1 4.47Å; F144-F282 HydrophobicContact CE2-CZ 4.23Å; F144-F282 HydrophobicContact CG-CE1 4.16Å; F144-F282 HydrophobicContact CZ-CE1 4.33Å; F144-F282 AromaticContact CZ-CZ 3.76Å; F144-F282 HydrophobicContact CZ-CZ 3.76Å; I195-F282 HydrophobicContact CD1-CE2 4.18Å; V278-F282 HydrophobicContact CG1-CD2 3.97Å; V278-F282 WeakPolarHBondContact O-CD2 3.41Å; V278-F282 PolarHBondContact O-N 3.34Å |
| 283 | F | 95.1 | Very high | 93.1 | Very high | 4 Ų | 4 | 45.8 Ų | 45.8 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -36 | -174.6 | -62.2 | -80.2 | 0 | 0 | 0 | 113.2 | A96 L100 W129 L133 V278 A279 P285 V286 I287 M292 | A96-F283 HydrophobicContact CB-CE1 4.22Å; A96-F283 HydrophobicContact CB-CZ 3.99Å; L100-F283 HydrophobicContact CB-CE1 4.33Å; L100-F283 HydrophobicContact CB-CZ 4.12Å; L100-F283 HydrophobicContact CD2-CE1 3.71Å; L100-F283 HydrophobicContact CD2-CZ 3.83Å; L100-F283 HydrophobicContact CG-CZ 4.46Å; W129-F283 HydrophobicContact CZ3-CD2 4.32Å; W129-F283 AromaticContact CZ3-CE2 3.92Å; W129-F283 HydrophobicContact CZ3-CE2 3.92Å; L133-F283 HydrophobicContact CD1-CZ 4.26Å; L133-F283 HydrophobicContact CD2-CE2 3.43Å; L133-F283 VanDerWaalsContact CD2-CE2 3.43Å; L133-F283 HydrophobicContact CD2-CZ 3.63Å; V278-F283 HydrophobicContact CG1-CE2 4.36Å; A279-F283 CarbonylContact O-C 3.5Å; A279-F283 WeakPolarHBondContact O-CA 3.3Å; A279-F283 PolarHBondContact O-N 3.49Å; F283-P285 VanDerWaalsContact C-N 3.27Å; F283-P285 VanDerWaalsContact O-N 3.16Å; F283-V286 WeakPolarHBondContact O-CA 3.5Å; F283-V286 PolarHBondContact O-N 3.42Å; F283-I287 HydrophobicContact CB-CD1 4.09Å; F283-I287 HydrophobicContact CB-CG1 4.45Å; F283-I287 WeakPolarHBondContact O-CG1 3.25Å; F283-I287 PolarHBondContact O-N 2.83Å; F283-M292 HydrophobicContact CB-SD 3.92Å; F283-M292 HydrophobicContact CD1-CE 4.17Å; F283-M292 HydrophobicContact CD1-SD 4.33Å; F283-M292 HydrophobicContact CD2-CE 4.06Å; F283-M292 HydrophobicContact CD2-SD 4.04Å; F283-M292 HydrophobicContact CE1-CE 4.27Å; F283-M292 HydrophobicContact CE2-CE 4.15Å; F283-M292 HydrophobicContact CG-CE 4.06Å; F283-M292 HydrophobicContact CG-SD 3.82Å; F283-M292 HydrophobicContact CZ-CE 4.26Å |
| 284 | K | 93 | Very high | 93 | Very high | 70 Ų | 70 | 49.5 Ų | 49.5 | 30% | 0.304 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -51.2 | -38.3 | 177 | -170.1 | 168.2 | -174 | 173.3 | 0 | 113.7 | E183 A279 Q280 V286 G288 | E183-K284 IonicContact OE1-NZ 3.7Å; E183-K284 PolarHBondContact OE1-NZ 3.25Å; E183-K284 IonicContact OE2-NZ 2.72Å; E183-K284 PolarHBondContact OE2-NZ 2.98Å; A279-K284 PolarHBondContact O-N 3.45Å; Q280-K284 HydrophobicContact CG-CD 4.28Å; Q280-K284 WeakPolarHBondContact O-CB 3.22Å; K284-V286 PolarHBondContact O-N 2.84Å; K284-G288 WeakPolarHBondContact O-CA 3.26Å; K284-G288 PolarHBondContact O-N 3.46Å |
| 285 | P | 91.1 | Very high | 92.9 | Very high | 72 Ų | 72 | 48.4 Ų | 48.4 | 47% | 0.468 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.5 | -18.7 | 174.7 | -24.2 | 35.6 | 0 | 0 | 0 | 115.3 | P89 F283 | P89-P285 HydrophobicContact CB-CB 4.14Å; F283-P285 VanDerWaalsContact C-N 3.27Å; F283-P285 VanDerWaalsContact O-N 3.16Å |
| 286 | V | 91.2 | Very high | 92.9 | Very high | 82 Ų | 82 | 46.1 Ų | 46.1 | 50% | 0.497 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -105.2 | -47.6 | -177.8 | 179.6 | 0 | 0 | 0 | 0 | 111.5 | C93 F283 K284 | C93-V286 HydrophobicContact CB-CG2 3.38Å; F283-V286 WeakPolarHBondContact O-CA 3.5Å; F283-V286 PolarHBondContact O-N 3.42Å; K284-V286 PolarHBondContact O-N 2.84Å |
| 287 | I | 91.1 | Very high | 92.7 | Very high | 44 Ų | 44 | 46.2 Ų | 46.2 | 23% | 0.226 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -91.7 | -8.8 | -174.2 | 74.6 | -179.7 | 0 | 0 | 0 | 113 | F283 A289 V290 M292 V295 | F283-I287 HydrophobicContact CB-CD1 4.09Å; F283-I287 HydrophobicContact CB-CG1 4.45Å; F283-I287 WeakPolarHBondContact O-CG1 3.25Å; F283-I287 PolarHBondContact O-N 2.83Å; I287-A289 PolarHBondContact O-N 3.12Å; I287-V290 HydrophobicContact CB-CB 4.24Å; I287-V290 WeakPolarHBondContact CD1-O 3.37Å; I287-V290 HydrophobicContact CG1-CB 4.4Å; I287-V290 WeakPolarHBondContact O-CB 3.36Å; I287-V290 VanDerWaalsContact O-CG2 3.3Å; I287-V290 WeakPolarHBondContact O-CG2 3.35Å; I287-V290 PolarHBondContact O-N 3.37Å; I287-M292 HydrophobicContact CD1-SD 4.1Å; I287-V295 HydrophobicContact CD1-CG2 4.16Å |
| 288 | G | 89.9 | Confident | 92.6 | Very high | 39 Ų | 39 | 52.6 Ų | 52.6 | 40% | 0.402 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | -122.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K284 | K284-G288 WeakPolarHBondContact O-CA 3.26Å; K284-G288 PolarHBondContact O-N 3.46Å |
| 289 | A | 88 | Confident | 92.4 | Very high | 102 Ų | 102 | 56.1 Ų | 56.1 | 84% | 0.843 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -0.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | I287 | I287-A289 PolarHBondContact O-N 3.12Š|
| 290 | V | 92.8 | Very high | 92.1 | Very high | 82 Ų | 82 | 55.5 Ų | 55.5 | 50% | 0.497 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -66.5 | 136.2 | 179.8 | -178.8 | 0 | 0 | 0 | 0 | 110.1 | I287 M292 V295 | I287-V290 HydrophobicContact CB-CB 4.24Å; I287-V290 WeakPolarHBondContact CD1-O 3.37Å; I287-V290 HydrophobicContact CG1-CB 4.4Å; I287-V290 WeakPolarHBondContact O-CB 3.36Å; I287-V290 VanDerWaalsContact O-CG2 3.3Å; I287-V290 WeakPolarHBondContact O-CG2 3.35Å; I287-V290 PolarHBondContact O-N 3.37Å; V290-M292 PolarHBondContact O-N 2.99Å; V290-V295 HydrophobicContact CG1-CG2 3.7Å |
| 291 | N | 90.4 | Very high | 91.8 | Very high | 84 Ų | 84 | 56.5 Ų | 56.5 | 45% | 0.449 | 32% | 0.316 | S | S | . | . | trans | -68.9 | 130.2 | 177.3 | -173.7 | -8.5 | 0 | 0 | 0 | 110.2 | E293 D294 V295 | N291-E293 PolarHBondContact O-N 3.28Å; N291-E293 PolarHBondContact OD1-N 2.99Å; N291-D294 WeakPolarHBondContact CB-OD2 3.34Å; N291-D294 PolarHBondContact O-N 3.08Å; N291-D294 VanDerWaalsContact O-N 3.1Å; N291-V295 PolarHBondContact O-N 2.8Å | ||
| 292 | M | 92.8 | Very high | 91.1 | Very high | 13 Ų | 13 | 57.9 Ų | 57.9 | 6% | 0.064 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.4 | -32.8 | 177.6 | -169.6 | 66.5 | -160.9 | 0 | 0 | 112 | L100 W129 A279 F283 I287 V290 D294 V295 L296 | L100-M292 HydrophobicContact CD2-CE 3.42Å; L100-M292 VanDerWaalsContact CD2-CE 3.42Å; W129-M292 HydrophobicContact CE3-CE 4.1Å; W129-M292 HydrophobicContact CH2-CE 4.28Å; W129-M292 HydrophobicContact CH2-CG 3.76Å; W129-M292 HydrophobicContact CH2-SD 4.45Å; W129-M292 HydrophobicContact CZ2-CG 3.78Å; W129-M292 HydrophobicContact CZ3-CE 3.86Å; W129-M292 HydrophobicContact CZ3-CG 4.28Å; A279-M292 HydrophobicContact CB-CB 4.15Å; A279-M292 HydrophobicContact CB-CG 4.24Å; F283-M292 HydrophobicContact CB-SD 3.92Å; F283-M292 HydrophobicContact CD1-CE 4.17Å; F283-M292 HydrophobicContact CD1-SD 4.33Å; F283-M292 HydrophobicContact CD2-CE 4.06Å; F283-M292 HydrophobicContact CD2-SD 4.04Å; F283-M292 HydrophobicContact CE1-CE 4.27Å; F283-M292 HydrophobicContact CE2-CE 4.15Å; F283-M292 HydrophobicContact CG-CE 4.06Å; F283-M292 HydrophobicContact CG-SD 3.82Å; F283-M292 HydrophobicContact CZ-CE 4.26Å; I287-M292 HydrophobicContact CD1-SD 4.1Å; V290-M292 PolarHBondContact O-N 2.99Å; M292-D294 VanDerWaalsContact C-N 3.32Å; M292-D294 PolarHBondContact O-N 2.9Å; M292-V295 PolarHBondContact O-N 2.92Å; M292-L296 HydrophobicContact CE-CD2 4.02Å; M292-L296 HydrophobicContact CE-CG 4.12Å; M292-L296 HydrophobicContact CG-CD1 4.29Å; M292-L296 HydrophobicContact CG-CG 4.43Å; M292-L296 VanDerWaalsContact O-CG 3.23Å; M292-L296 WeakPolarHBondContact O-CG 3.43Å; M292-L296 PolarHBondContact O-N 2.81Å |
| 293 | E | 90.6 | Very high | 89 | Confident | 83 Ų | 83 | 71.5 Ų | 71.5 | 39% | 0.388 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.1 | -36.6 | 177.5 | -66.3 | -169 | -168.3 | 0 | 0 | 113.1 | R126 N291 L296 L297 | R126-E293 IonicContact CZ-OE2 3.48Å; R126-E293 IonicContact NE-OE2 3.3Å; R126-E293 PolarHBondContact NE-OE2 3.12Å; R126-E293 IonicContact NH2-OE2 3.58Å; N291-E293 PolarHBondContact O-N 3.28Å; N291-E293 PolarHBondContact OD1-N 2.99Å; E293-L296 PolarHBondContact O-N 2.56Å; E293-L297 WeakPolarHBondContact O-CB 3.34Å; E293-L297 PolarHBondContact O-N 3.29Å |
| 294 | D | 92.1 | Very high | 88.6 | Confident | 93 Ų | 93 | 74.9 Ų | 74.9 | 50% | 0.497 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -68.9 | -43.2 | 178.5 | -61.1 | -26.7 | 0 | 0 | 0 | 110.1 | N291 M292 L296 L297 E298 | N291-D294 WeakPolarHBondContact CB-OD2 3.34Å; N291-D294 PolarHBondContact O-N 3.08Å; N291-D294 VanDerWaalsContact O-N 3.1Å; M292-D294 VanDerWaalsContact C-N 3.32Å; M292-D294 PolarHBondContact O-N 2.9Å; D294-L296 VanDerWaalsContact C-N 3.33Å; D294-L296 PolarHBondContact O-N 3.41Å; D294-L297 PolarHBondContact O-N 3.31Å; D294-E298 WeakPolarHBondContact O-CB 3.24Å; D294-E298 PolarHBondContact O-N 2.86Å |
| 295 | V | 93.3 | Very high | 88.4 | Confident | 26 Ų | 26 | 75.1 Ų | 75.1 | 16% | 0.158 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 174.1 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | I287 V290 N291 M292 L297 E298 M299 | I287-V295 HydrophobicContact CD1-CG2 4.16Å; V290-V295 HydrophobicContact CG1-CG2 3.7Å; N291-V295 PolarHBondContact O-N 2.8Å; M292-V295 PolarHBondContact O-N 2.92Å; V295-L297 PolarHBondContact O-N 3Å; V295-E298 PolarHBondContact O-N 2.81Å; V295-M299 HydrophobicContact CG1-CG 4.25Å; V295-M299 HydrophobicContact CG1-SD 3.77Å; V295-M299 WeakPolarHBondContact O-CB 3.45Å; V295-M299 WeakPolarHBondContact O-CG 3.09Å; V295-M299 PolarHBondContact O-N 3.19Å |
| 296 | L | 93.6 | Very high | 88.3 | Confident | 4 Ų | 4 | 75.3 Ų | 75.3 | 2% | 0.021 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 177.5 | -71.6 | 168.7 | 0 | 0 | 0 | 111.6 | L100 L104 W129 M292 E293 D294 M299 F300 | L100-L296 HydrophobicContact CD1-CD2 4.04Å; L100-L296 HydrophobicContact CD2-CD2 4.41Å; L104-L296 HydrophobicContact CD1-CD2 4.18Å; L104-L296 HydrophobicContact CD2-CD2 4.18Å; W129-L296 HydrophobicContact CB-CD1 4.19Å; W129-L296 HydrophobicContact CB-CD2 3.95Å; W129-L296 HydrophobicContact CD2-CD1 3.78Å; W129-L296 HydrophobicContact CD2-CD2 4.25Å; W129-L296 HydrophobicContact CG-CD1 3.51Å; W129-L296 HydrophobicContact CG-CD2 4.01Å; W129-L296 HydrophobicContact CG-CG 4.42Å; M292-L296 HydrophobicContact CE-CD2 4.02Å; M292-L296 HydrophobicContact CE-CG 4.12Å; M292-L296 HydrophobicContact CG-CD1 4.29Å; M292-L296 HydrophobicContact CG-CG 4.43Å; M292-L296 VanDerWaalsContact O-CG 3.23Å; M292-L296 WeakPolarHBondContact O-CG 3.43Å; M292-L296 PolarHBondContact O-N 2.81Å; E293-L296 PolarHBondContact O-N 2.56Å; D294-L296 VanDerWaalsContact C-N 3.33Å; D294-L296 PolarHBondContact O-N 3.41Å; L296-M299 PolarHBondContact O-N 2.93Å; L296-F300 WeakPolarHBondContact O-CB 3.47Å; L296-F300 PolarHBondContact O-N 2.8Å |
| 297 | L | 90.8 | Very high | 88.1 | Confident | 67 Ų | 67 | 74.9 Ų | 74.9 | 35% | 0.351 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.9 | -45.9 | 179.2 | -168.3 | 74.5 | 0 | 0 | 0 | 110.9 | L122 E293 D294 V295 F300 Y301 | L122-L297 HydrophobicContact CD1-CD1 3.64Å; L122-L297 HydrophobicContact CD2-CD1 4.35Å; E293-L297 WeakPolarHBondContact O-CB 3.34Å; E293-L297 PolarHBondContact O-N 3.29Å; D294-L297 PolarHBondContact O-N 3.31Å; V295-L297 PolarHBondContact O-N 3Å; L297-F300 PolarHBondContact O-N 2.75Å; L297-Y301 HydrophobicContact CD1-CD2 3.4Å; L297-Y301 VanDerWaalsContact CD1-CD2 3.4Å; L297-Y301 HydrophobicContact CD1-CE2 3.53Å; L297-Y301 HydrophobicContact CG-CD2 4.06Å; L297-Y301 PolarHBondContact O-N 3.11Å |
| 298 | E | 92.6 | Very high | 87.9 | Confident | 147 Ų | 147 | 76.8 Ų | 76.8 | 69% | 0.687 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -61.5 | -45.8 | 175.6 | -173.3 | -179.4 | 179.6 | 0 | 0 | 111.3 | D294 V295 F300 G302 | D294-E298 WeakPolarHBondContact O-CB 3.24Å; D294-E298 PolarHBondContact O-N 2.86Å; V295-E298 PolarHBondContact O-N 2.81Å; E298-F300 VanDerWaalsContact C-N 3.31Å; E298-F300 PolarHBondContact O-N 2.77Å; E298-G302 WeakPolarHBondContact O-CA 3.21Å; E298-G302 PolarHBondContact O-N 3.23Å |
| 299 | M | 91.5 | Very high | 87.8 | Confident | 74 Ų | 74 | 79.3 Ų | 79.3 | 37% | 0.365 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -68.6 | -29.5 | 179.1 | -70.3 | 178.4 | 76.3 | 0 | 0 | 113.3 | L100 V101 L104 V295 L296 | L100-M299 HydrophobicContact CD2-CE 4.21Å; L100-M299 HydrophobicContact CD2-SD 3.9Å; L100-M299 HydrophobicContact CG-CE 4.27Å; L100-M299 HydrophobicContact CG-SD 4.48Å; V101-M299 HydrophobicContact CB-CE 4.36Å; V101-M299 HydrophobicContact CG2-CE 3.37Å; L104-M299 HydrophobicContact CD1-CB 3.55Å; L104-M299 HydrophobicContact CD1-CE 4.08Å; L104-M299 HydrophobicContact CD1-CG 4.48Å; L104-M299 HydrophobicContact CD1-SD 4.17Å; V295-M299 HydrophobicContact CG1-CG 4.25Å; V295-M299 HydrophobicContact CG1-SD 3.77Å; V295-M299 WeakPolarHBondContact O-CB 3.45Å; V295-M299 WeakPolarHBondContact O-CG 3.09Å; V295-M299 PolarHBondContact O-N 3.19Å; L296-M299 PolarHBondContact O-N 2.93Å |
| 300 | F | 89.6 | Confident | 87.8 | Confident | 7 Ų | 7 | 77.7 Ų | 77.7 | 3% | 0.031 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -85.5 | -44.3 | -175.4 | -161.3 | -102.4 | 0 | 0 | 0 | 112.5 | L104 V107 K108 F113 V125 L296 L297 E298 | L104-F300 HydrophobicContact CB-CD2 4.3Å; L104-F300 HydrophobicContact CD2-CD2 4.14Å; V107-F300 HydrophobicContact CB-CE2 4.23Å; V107-F300 HydrophobicContact CG1-CE2 3.98Å; V107-F300 HydrophobicContact CG1-CZ 4.13Å; K108-F300 HydrophobicContact CB-CE2 3.9Å; K108-F300 HydrophobicContact CB-CZ 4.14Å; K108-F300 PolarHBondContact NZ-O 3.34Å; F113-F300 HydrophobicContact CE1-CE1 4.13Å; F113-F300 AromaticContact CE1-CZ 3.59Å; F113-F300 HydrophobicContact CE1-CZ 3.59Å; F113-F300 HydrophobicContact CZ-CZ 4.08Å; V125-F300 HydrophobicContact CG2-CD2 4.25Å; V125-F300 HydrophobicContact CG2-CE1 4.22Å; V125-F300 HydrophobicContact CG2-CE2 3.9Å; V125-F300 HydrophobicContact CG2-CZ 3.89Å; L296-F300 WeakPolarHBondContact O-CB 3.47Å; L296-F300 PolarHBondContact O-N 2.8Å; L297-F300 PolarHBondContact O-N 2.75Å; E298-F300 VanDerWaalsContact C-N 3.31Å; E298-F300 PolarHBondContact O-N 2.77Å |
| 301 | Y | 88.4 | Confident | 87.4 | Confident | 88 Ų | 88 | 77.4 Ų | 77.4 | 35% | 0.345 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -102.4 | -14.2 | -178.6 | -65 | -72.9 | 0 | 0 | 0 | 114.2 | L122 L297 | L122-Y301 HydrophobicContact CD1-CE2 4.37Å; L297-Y301 HydrophobicContact CD1-CD2 3.4Å; L297-Y301 VanDerWaalsContact CD1-CD2 3.4Å; L297-Y301 HydrophobicContact CD1-CE2 3.53Å; L297-Y301 HydrophobicContact CG-CD2 4.06Å; L297-Y301 PolarHBondContact O-N 3.11Å |
| 302 | G | 79.5 | Confident | 87.1 | Confident | 35 Ų | 35 | 76.8 Ų | 76.8 | 36% | 0.361 | 38% | 0.375 | S | S | . | . | trans | -57.7 | 143.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | E298 | E298-G302 WeakPolarHBondContact O-CA 3.21Å; E298-G302 PolarHBondContact O-N 3.23Å | ||
| 303 | K | 50.7 | Low | 86.6 | Confident | 285 Ų | 285 | 82.6 Ų | 82.6 | 100% | 1.239 | 40% | 0.404 | S | S | * | . | trans | -77.7 | 0 | -179.8 | -70.9 | -177.3 | 178.3 | 175.8 | 0 | 111.2 |
Retrieved 303 of 303 residues in 897.1 ms
(Link to these results)