| 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 | 35.5 | Very low | 39.4 | Very low | 223 Ų | 223 | 158 Ų | 158 | 100% | 1.099 | 84% | 0.838 | S | S | * | * | 0 | 106.2 | 0 | -71.5 | -163.4 | -84.8 | 0 | 0 | 106.6 | |||||
| 2 | R | 35.3 | Very low | 39.3 | Very low | 200 Ų | 200 | 152.4 Ų | 152.4 | 76% | 0.755 | 83% | 0.831 | S | S | * | * | 73.2 | 119.8 | 94.7 | -76.7 | -175.7 | -175.4 | -105.1 | 5.5 | 109.3 | |||||
| 3 | W | 32.6 | Very low | 40 | Very low | 219 Ų | 219 | 158 Ų | 158 | 83% | 0.83 | 83% | 0.832 | S | S | * | * | cis | -157.2 | 152.6 | 34.3 | -87.5 | 90.1 | 0 | 0 | 0 | 111.4 | ||||
| 4 | A | 42.5 | Very low | 40.3 | Very low | 89 Ų | 89 | 155.6 Ų | 155.6 | 74% | 0.736 | 83% | 0.831 | S | S | * | * | trans | -88.3 | 148.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 5 | A | 41.2 | Very low | 41 | Very low | 99 Ų | 99 | 161.3 Ų | 161.3 | 82% | 0.818 | 84% | 0.836 | S | S | * | * | trans | -157 | 107.1 | 157 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 6 | A | 40.7 | Very low | 40.8 | Very low | 90 Ų | 90 | 155.4 Ų | 155.4 | 74% | 0.744 | 83% | 0.827 | S | S | * | * | 73.7 | 91.4 | 79.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 7 | T | 41.6 | Very low | 40.8 | Very low | 124 Ų | 124 | 160.4 Ų | 160.4 | 76% | 0.761 | 83% | 0.832 | S | S | * | * | 50 | 133.7 | 128.2 | 38.1 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 8 | L | 43.7 | Very low | 40.8 | Very low | 153 Ų | 153 | 156.9 Ų | 156.9 | 80% | 0.801 | 83% | 0.83 | S | S | * | * | trans | 74.5 | 116.2 | 138.4 | -77.5 | 154.9 | 0 | 0 | 0 | 118.9 | ||||
| 9 | R | 42.1 | Very low | 40.7 | Very low | 251 Ų | 251 | 151.7 Ų | 151.7 | 95% | 0.947 | 82% | 0.818 | S | S | * | * | -169.8 | 137.3 | 116.9 | -99.3 | 163.1 | -153 | -105.8 | 6.1 | 112 | |||||
| 10 | G | 39.6 | Very low | 40.7 | Very low | 79 Ų | 79 | 150.6 Ų | 150.6 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | trans | -67 | 145.3 | -158.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | A12 | G10-A12 PolarHBondContact O-N 3.22Š| ||
| 11 | K | 38.5 | Very low | 40.6 | Very low | 211 Ų | 211 | 149.4 Ų | 149.4 | 92% | 0.917 | 81% | 0.814 | S | S | * | * | trans | -89.4 | 101.9 | 165.6 | -150.1 | 165.4 | -173.3 | 167.7 | 0 | 107.9 | R13 | K11-R13 PolarHBondContact O-N 3.47Š| ||
| 12 | A | 38.7 | Very low | 41 | Very low | 91 Ų | 91 | 144 Ų | 144 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | -55.8 | 130.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111 | G10 | G10-A12 PolarHBondContact O-N 3.22Š| ||
| 13 | R | 48.6 | Very low | 41.2 | Very low | 225 Ų | 225 | 139.9 Ų | 139.9 | 85% | 0.849 | 79% | 0.793 | S | S | * | * | trans | -65 | 127.8 | 162.8 | -101.6 | -178.3 | -176.4 | -117.2 | 4.3 | 108.6 | K11 R15 | K11-R13 PolarHBondContact O-N 3.47Å; R13-R15 PolarHBondContact O-N 3.39Å | ||
| 14 | P | 43.8 | Very low | 41.8 | Very low | 124 Ų | 124 | 133.3 Ų | 133.3 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | trans | -78.9 | 101.7 | 155 | 10.9 | 6.2 | 0 | 0 | 0 | 107.1 | G16 | P14-G16 PolarHBondContact O-N 3.25Š| ||
| 15 | R | 51.2 | Low | 42 | Very low | 241 Ų | 241 | 135 Ų | 135 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | -78.9 | 69.9 | 160 | -150.9 | 179.7 | -159.7 | -177.8 | 5.2 | 107 | R13 R17 | R13-R15 PolarHBondContact O-N 3.39Å; R15-R17 PolarHBondContact O-N 2.95Å | ||
| 16 | G | 37.1 | Very low | 42.4 | Very low | 67 Ų | 67 | 132.5 Ų | 132.5 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | trans | -80 | 107.4 | 174 | 0 | 0 | 0 | 0 | 0 | 109.1 | P14 A18 | P14-G16 PolarHBondContact O-N 3.25Å; G16-A18 PolarHBondContact O-N 3.33Å | ||
| 17 | R | 41.7 | Very low | 43.1 | Very low | 241 Ų | 241 | 133.3 Ų | 133.3 | 91% | 0.909 | 76% | 0.764 | S | S | * | * | trans | -29.7 | 122.9 | 171.7 | -153.1 | 174.1 | -157 | 175.6 | 3.6 | 112.1 | R15 G19 | R15-R17 PolarHBondContact O-N 2.95Å; R17-G19 VanDerWaalsContact C-N 3.26Å; R17-G19 PolarHBondContact O-N 3.5Å | ||
| 18 | A | 40.8 | Very low | 43.9 | Very low | 97 Ų | 97 | 139.1 Ų | 139.1 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -59.5 | 93.4 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | G16 V20 | G16-A18 PolarHBondContact O-N 3.33Å; A18-V20 PolarHBondContact O-N 3.41Å | ||
| 19 | G | 39.2 | Very low | 45.2 | Very low | 58 Ų | 58 | 134.6 Ų | 134.6 | 60% | 0.598 | 75% | 0.751 | S | S | * | * | trans | -61.4 | 117.4 | 157.8 | 0 | 0 | 0 | 0 | 0 | 105.7 | R17 T21 | R17-G19 VanDerWaalsContact C-N 3.26Å; R17-G19 PolarHBondContact O-N 3.5Å; G19-T21 PolarHBondContact O-N 2.95Å | ||
| 20 | V | 40.2 | Very low | 47.2 | Very low | 129 Ų | 129 | 124.3 Ų | 124.3 | 78% | 0.782 | 72% | 0.724 | S | S | * | * | trans | -53.7 | 98.2 | 165.6 | 169 | 0 | 0 | 0 | 0 | 106 | A18 T22 | A18-V20 PolarHBondContact O-N 3.41Å; V20-T22 PolarHBondContact O-N 3.49Å | ||
| 21 | T | 38.9 | Very low | 49.7 | Very low | 126 Ų | 126 | 123.4 Ų | 123.4 | 77% | 0.773 | 70% | 0.702 | S | S | * | * | trans | -67.5 | 86.6 | 164.5 | -50.5 | 0 | 0 | 0 | 0 | 104.8 | G19 P23 | G19-T21 PolarHBondContact O-N 2.95Å; T21-P23 WeakPolarHBondContact O-CD 3.44Å; T21-P23 VanDerWaalsContact O-N 3.12Å | ||
| 22 | T | 42.8 | Very low | 52.1 | Low | 110 Ų | 110 | 113.7 Ų | 113.7 | 68% | 0.675 | 66% | 0.661 | S | S | * | * | trans | -57.3 | 114.8 | 159.3 | -42.3 | 0 | 0 | 0 | 0 | 104.8 | V20 A24 | V20-T22 PolarHBondContact O-N 3.49Å; T22-A24 PolarHBondContact O-N 3.35Å | ||
| 23 | P | 39.3 | Very low | 54.5 | Low | 113 Ų | 113 | 113 Ų | 113 | 73% | 0.734 | 66% | 0.655 | S | S | * | * | trans | -71.3 | 90.9 | 170.2 | 5.7 | 10.6 | 0 | 0 | 0 | 105 | T21 P25 | T21-P23 WeakPolarHBondContact O-CD 3.44Å; T21-P23 VanDerWaalsContact O-N 3.12Å; P23-P25 WeakPolarHBondContact O-CD 3.48Å | ||
| 24 | A | 44.8 | Very low | 56.2 | Low | 82 Ų | 82 | 111.8 Ų | 111.8 | 68% | 0.678 | 66% | 0.656 | S | S | * | * | trans | -62.8 | 123.6 | 158.6 | 0 | 0 | 0 | 0 | 0 | 105.5 | T22 G26 | T22-A24 PolarHBondContact O-N 3.35Å; A24-G26 PolarHBondContact O-N 2.78Å | ||
| 25 | P | 48.3 | Very low | 57.9 | Low | 123 Ų | 123 | 107.4 Ų | 107.4 | 80% | 0.799 | 63% | 0.626 | S | S | * | * | trans | -71.6 | 79.8 | 172.7 | 29.3 | -29.7 | 0 | 0 | 0 | 107 | P23 N27 | P23-P25 WeakPolarHBondContact O-CD 3.48Å; P25-N27 PolarHBondContact O-N 2.79Å | ||
| 26 | G | 48.8 | Very low | 58.8 | Low | 47 Ų | 47 | 107 Ų | 107 | 49% | 0.485 | 62% | 0.624 | S | S | . | * | trans | -69.6 | 79.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | A24 R28 | A24-G26 PolarHBondContact O-N 2.78Å; G26-R28 PolarHBondContact O-N 3.22Å | ||
| 27 | N | 56.3 | Low | 60 | Low | 107 Ų | 107 | 108 Ų | 108 | 57% | 0.572 | 61% | 0.613 | S | S | * | * | trans | -67.7 | 91.7 | 169.4 | -166.1 | 11.1 | 0 | 0 | 0 | 106.9 | P25 T29 | P25-N27 PolarHBondContact O-N 2.79Å; N27-T29 PolarHBondContact ND2-OG1 3.36Å; N27-T29 PolarHBondContact O-N 3.45Å; N27-T29 WeakPolarHBondContact OD1-CG2 3.43Å; N27-T29 PolarHBondContact OD1-OG1 2.74Å | ||
| 28 | R | 57.6 | Low | 61 | Low | 246 Ų | 246 | 97.5 Ų | 97.5 | 93% | 0.928 | 58% | 0.576 | S | S | * | * | trans | -67.5 | 23.9 | 173.4 | -70.7 | -174.4 | 179.9 | 173.8 | 0.3 | 112.5 | G26 G30 | G26-R28 PolarHBondContact O-N 3.22Å; R28-G30 PolarHBondContact O-N 3.07Å | ||
| 29 | T | 71.2 | Confident | 62 | Low | 58 Ų | 58 | 99.5 Ų | 99.5 | 36% | 0.356 | 58% | 0.581 | S | S | . | * | trans | -73.2 | 120.2 | 162.6 | 49.4 | 0 | 0 | 0 | 0 | 107.2 | N27 T31 | N27-T29 PolarHBondContact ND2-OG1 3.36Å; N27-T29 PolarHBondContact O-N 3.45Å; N27-T29 WeakPolarHBondContact OD1-CG2 3.43Å; N27-T29 PolarHBondContact OD1-OG1 2.74Å; T29-T31 PolarHBondContact O-N 2.76Å | ||
| 30 | G | 84.3 | Confident | 63.6 | Low | 36 Ų | 36 | 101.4 Ų | 101.4 | 37% | 0.371 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -67.5 | 43.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | R28 S52 V53 | R28-G30 PolarHBondContact O-N 3.07Å; G30-S52 CarbonylContact O-C 3.58Å; G30-S52 VanDerWaalsContact O-CA 3.32Å; G30-S52 WeakPolarHBondContact O-CA 3.48Å; G30-V53 WeakPolarHBondContact O-CG2 3.27Å; G30-V53 PolarHBondContact O-N 3.28Å |
| 31 | T | 90.8 | Very high | 65.5 | Low | 59 Ų | 59 | 95.7 Ų | 95.7 | 36% | 0.362 | 54% | 0.54 | S | S | . | . | B | Isolated β-bridge | trans | -134.2 | 124.7 | -169.7 | -45.6 | 0 | 0 | 0 | 0 | 108.1 | T29 A51 | T29-T31 PolarHBondContact O-N 2.76Å; T31-A51 CarbonylContact C-O 3.56Å; T31-A51 WeakPolarHBondContact CA-O 3.41Å; T31-A51 HydrophobicContact CG2-CB 3.5Å; T31-A51 VanDerWaalsContact CG2-CB 3.5Å |
| 32 | C | 90.3 | Very high | 67.8 | Low | 7 Ų | 7 | 93.8 Ų | 93.8 | 5% | 0.047 | 53% | 0.529 | C | S | . | . | P | Polyproline II helix | trans | -72 | 155.3 | 175.6 | -71.3 | 0 | 0 | 0 | 0 | 111.7 | A51 C75 W84 | C32-A51 PolarHBondContact N-O 3.38Å; C32-C75 HydrophobicContact CB-CB 3.92Å; C32-C75 WeakPolarHBondContact CB-SG 2.9Å; C32-C75 PolarHBondContact N-SG 2.8Å; C32-C75 WeakPolarHBondContact SG-CA 3.39Å; C32-C75 WeakPolarHBondContact SG-CB 3.4Å; C32-C75 CovalentContact SG-SG 2.02Å; C32-C75 PolarHBondContact SG-SG 3.1Å; C32-W84 HydrophobicContact CB-CD2 3.86Å; C32-W84 HydrophobicContact CB-CG 4.1Å; C32-W84 HydrophobicContact CB-CZ2 3.77Å; C32-W84 VanDerWaalsContact CB-NE1 3.35Å |
| 33 | A | 88.1 | Confident | 70 | Confident | 76 Ų | 76 | 92.5 Ų | 92.5 | 63% | 0.628 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 142.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L35 W84 | A33-L35 PolarHBondContact O-N 3Å; A33-W84 PolarHBondContact O-NE1 3.44Å |
| 34 | K | 83.6 | Confident | 72.6 | Confident | 200 Ų | 200 | 91.1 Ų | 91.1 | 87% | 0.87 | 50% | 0.498 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 120.7 | 176.7 | -171.9 | 151.8 | -173.7 | 168.8 | 0 | 109.8 | ||
| 35 | L | 80.6 | Confident | 74.9 | Confident | 33 Ų | 33 | 90.4 Ų | 90.4 | 17% | 0.173 | 49% | 0.485 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 134.9 | 178.3 | -65.8 | 165.7 | 0 | 0 | 0 | 109.6 | A33 L37 L57 F59 L73 W84 | A33-L35 PolarHBondContact O-N 3Å; L35-L37 PolarHBondContact O-N 3.15Å; L35-L57 HydrophobicContact CD1-CD1 3.94Å; L35-F59 HydrophobicContact CD1-CE2 4.4Å; L35-F59 HydrophobicContact CD1-CZ 3.8Å; L35-L73 HydrophobicContact CD1-CD2 3.52Å; L35-L73 HydrophobicContact CD2-CD2 4.02Å; L35-L73 HydrophobicContact CG-CD2 4.44Å; L35-W84 HydrophobicContact CD1-CD2 4.29Å; L35-W84 HydrophobicContact CD1-CZ2 4.26Å; L35-W84 HydrophobicContact CD2-CG 4.3Å |
| 36 | R | 69.6 | Low | 77.1 | Confident | 232 Ų | 232 | 90.2 Ų | 90.2 | 88% | 0.875 | 48% | 0.476 | S | S | * | . | trans | -71.1 | 107.2 | 162.5 | -77.2 | -176.4 | 133.1 | 101.2 | -1.4 | 106.9 | P38 S88 | R36-P38 WeakPolarHBondContact O-CD 3.28Å; R36-S88 PolarHBondContact O-OG 2.84Å | ||
| 37 | L | 63.7 | Low | 79.1 | Confident | 89 Ų | 89 | 96.7 Ų | 96.7 | 47% | 0.466 | 49% | 0.486 | S | S | . | . | trans | -60.2 | 128.9 | 172.7 | -90.3 | 75.4 | 0 | 0 | 0 | 108.6 | L35 F43 | L35-L37 PolarHBondContact O-N 3.15Å; L37-F43 HydrophobicContact CD1-CD1 4.13Å; L37-F43 HydrophobicContact CD1-CE1 3.79Å; L37-F43 HydrophobicContact CD2-CD1 3.67Å; L37-F43 HydrophobicContact CD2-CE1 3.61Å; L37-F43 HydrophobicContact CG-CD1 3.97Å; L37-F43 HydrophobicContact CG-CE1 4.02Å | ||
| 38 | P | 62.1 | Low | 80.8 | Confident | 19 Ų | 19 | 94.2 Ų | 94.2 | 12% | 0.123 | 49% | 0.486 | C | S | . | . | trans | -57.6 | 135.2 | 160.8 | -13.3 | 25.2 | 0 | 0 | 0 | 108 | R36 Q40 A41 P89 | R36-P38 WeakPolarHBondContact O-CD 3.28Å; P38-Q40 PolarHBondContact O-N 2.91Å; P38-A41 HydrophobicContact CB-CB 4Å; P38-A41 HydrophobicContact CG-CB 3.82Å; P38-A41 PolarHBondContact O-N 3.17Å; P38-P89 WeakPolarHBondContact CG-O 3.25Å | ||
| 39 | P | 62.5 | Low | 82.2 | Confident | 140 Ų | 140 | 88 Ų | 88 | 91% | 0.909 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -9.5 | -176.2 | 19.8 | -30.8 | 0 | 0 | 0 | 114.6 | ||
| 40 | Q | 70.8 | Confident | 82.9 | Confident | 98 Ų | 98 | 86.3 Ų | 86.3 | 46% | 0.458 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -13.4 | -179.2 | -63.8 | -177.7 | -31.6 | 0 | 0 | 113.8 | P38 P62 H65 C91 | P38-Q40 PolarHBondContact O-N 2.91Å; Q40-P62 HydrophobicContact CB-CG 4.4Å; Q40-P62 WeakPolarHBondContact O-CD 3.37Å; Q40-H65 PolarHBondContact OE1-CD2 3.28Å; Q40-H65 PolarHBondContact OE1-NE2 3.47Å; Q40-C91 HydrophobicContact CB-CB 4.39Å |
| 41 | A | 81.6 | Confident | 83.1 | Confident | 8 Ų | 8 | 85.9 Ų | 85.9 | 7% | 0.066 | 46% | 0.458 | C | S | . | . | trans | -89.9 | 131.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | P38 F59 C91 | P38-A41 HydrophobicContact CB-CB 4Å; P38-A41 HydrophobicContact CG-CB 3.82Å; P38-A41 PolarHBondContact O-N 3.17Å; A41-F59 HydrophobicContact CB-CD1 4.46Å; A41-C91 VanDerWaalsContact CB-SG 3.59Å | ||
| 42 | T | 87.4 | Confident | 83.2 | Confident | 87 Ų | 87 | 84.7 Ų | 84.7 | 53% | 0.534 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 151.7 | 166.9 | 60 | 0 | 0 | 0 | 0 | 109.3 | F59 R60 | T42-F59 CarbonylContact O-C 3.52Å; T42-F59 WeakPolarHBondContact O-CA 3.49Å; T42-R60 PolarHBondContact N-O 3.28Å; T42-R60 PolarHBondContact O-N 3.08Å; T42-R60 PolarHBondContact OG1-O 2.95Å |
| 43 | F | 89.1 | Confident | 83.3 | Confident | 83 Ų | 83 | 87.2 Ų | 87.2 | 36% | 0.364 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 153.2 | 175.2 | 76.8 | -86.2 | 0 | 0 | 0 | 111.2 | L37 V45 L57 M58 F59 | L37-F43 HydrophobicContact CD1-CD1 4.13Å; L37-F43 HydrophobicContact CD1-CE1 3.79Å; L37-F43 HydrophobicContact CD2-CD1 3.67Å; L37-F43 HydrophobicContact CD2-CE1 3.61Å; L37-F43 HydrophobicContact CG-CD1 3.97Å; L37-F43 HydrophobicContact CG-CE1 4.02Å; F43-V45 HydrophobicContact CE2-CG2 4.15Å; F43-L57 HydrophobicContact CD2-CD2 4.14Å; F43-L57 HydrophobicContact CE2-CD2 4.35Å; F43-M58 CarbonylContact C-O 3.59Å; F43-M58 VanDerWaalsContact CA-O 3.26Å; F43-M58 WeakPolarHBondContact CA-O 3.29Å; F43-F59 HydrophobicContact CB-CD1 3.71Å; F43-F59 HydrophobicContact CB-CE1 3.68Å; F43-F59 HydrophobicContact CB-CG 4.24Å; F43-F59 HydrophobicContact CB-CZ 4.17Å; F43-F59 HydrophobicContact CG-CE1 4.36Å |
| 44 | Q | 92.4 | Very high | 83.5 | Confident | 84 Ų | 84 | 85.4 Ų | 85.4 | 39% | 0.393 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 137.2 | 174.7 | -72.7 | 170.7 | 48.6 | 0 | 0 | 109.2 | L46 L57 M58 | Q44-L46 PolarHBondContact O-N 3.48Å; Q44-L57 CarbonylContact O-C 3.51Å; Q44-L57 WeakPolarHBondContact O-CA 3.49Å; Q44-M58 PolarHBondContact N-O 2.66Å; Q44-M58 PolarHBondContact O-N 3.04Å |
| 45 | V | 93.4 | Very high | 84 | Confident | 67 Ų | 67 | 75.9 Ų | 75.9 | 41% | 0.406 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 105.8 | 171.7 | -173.4 | 0 | 0 | 0 | 0 | 107.3 | F43 R47 T55 L57 | F43-V45 HydrophobicContact CE2-CG2 4.15Å; V45-R47 WeakPolarHBondContact CG1-O 3.39Å; V45-T55 HydrophobicContact CG1-CG2 4.16Å; V45-L57 HydrophobicContact CB-CD2 4.17Å; V45-L57 HydrophobicContact CG1-CD2 4.23Å; V45-L57 HydrophobicContact CG2-CD2 3.69Å |
| 46 | L | 94.4 | Very high | 84.7 | Confident | 118 Ų | 118 | 75.4 Ų | 75.4 | 62% | 0.618 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.2 | -30.5 | 177.3 | -170.9 | 64 | 0 | 0 | 0 | 111.1 | Q44 V56 | Q44-L46 PolarHBondContact O-N 3.48Å; L46-V56 HydrophobicContact CB-CB 4.33Å; L46-V56 HydrophobicContact CB-CG1 4.23Å; L46-V56 HydrophobicContact CD2-CG1 4.29Å; L46-V56 PolarHBondContact N-O 3.45Å |
| 47 | R | 92 | Very high | 85.8 | Confident | 183 Ų | 183 | 64.6 Ų | 64.6 | 69% | 0.691 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 147 | 178.3 | -163.3 | 178 | -158.7 | -178.3 | 5.5 | 110.5 | V45 T55 V56 | V45-R47 WeakPolarHBondContact CG1-O 3.39Å; R47-T55 CarbonylContact O-C 3.5Å; R47-T55 WeakPolarHBondContact O-CA 3.45Å; R47-T55 VanDerWaalsContact O-CG2 3.29Å; R47-T55 WeakPolarHBondContact O-CG2 3.44Å; R47-V56 HydrophobicContact CB-CB 4.05Å; R47-V56 HydrophobicContact CB-CG2 4.06Å; R47-V56 PolarHBondContact N-O 3.16Å; R47-V56 PolarHBondContact O-N 3.42Å |
| 48 | G | 90.5 | Very high | 87.2 | Confident | 55 Ų | 55 | 63 Ų | 63 | 57% | 0.567 | 36% | 0.364 | S | S | * | . | S | Bend | trans | 88.4 | -159 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 49 | N | 87.4 | Confident | 88.6 | Confident | 116 Ų | 116 | 62.6 Ų | 62.6 | 62% | 0.62 | 36% | 0.36 | S | S | * | . | S | Bend | trans | -115.1 | 16.8 | -173.7 | 68.4 | 0.7 | 0 | 0 | 0 | 113.5 | A51 S52 T55 | N49-A51 PolarHBondContact OD1-N 2.93Å; N49-S52 PolarHBondContact ND2-OG 3.01Å; N49-S52 WeakPolarHBondContact OD1-CB 3.46Å; N49-S52 PolarHBondContact OD1-N 2.93Å; N49-S52 PolarHBondContact OD1-OG 3.45Å; N49-T55 PolarHBondContact N-OG1 3.22Å |
| 50 | G | 86.4 | Confident | 90 | Very high | 22 Ų | 22 | 61.7 Ų | 61.7 | 23% | 0.227 | 34% | 0.338 | C | S | . | . | S | Bend | trans | 98.1 | -19.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 51 | A | 89 | Confident | 91 | Very high | 27 Ų | 27 | 58.4 Ų | 58.4 | 22% | 0.223 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -149.4 | -14.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116 | T31 C32 N49 C75 | T31-A51 CarbonylContact C-O 3.56Å; T31-A51 WeakPolarHBondContact CA-O 3.41Å; T31-A51 HydrophobicContact CG2-CB 3.5Å; T31-A51 VanDerWaalsContact CG2-CB 3.5Å; C32-A51 PolarHBondContact N-O 3.38Å; N49-A51 PolarHBondContact OD1-N 2.93Å; A51-C75 PolarHBondContact O-SG 3.29Å |
| 52 | S | 91.7 | Very high | 91.3 | Very high | 35 Ų | 35 | 60.5 Ų | 60.5 | 25% | 0.245 | 34% | 0.339 | C | S | . | . | B | Isolated β-bridge | trans | -73 | 156.6 | -179.3 | -51.9 | 0 | 0 | 0 | 0 | 111.9 | G30 N49 G54 T55 C75 | G30-S52 CarbonylContact O-C 3.58Å; G30-S52 VanDerWaalsContact O-CA 3.32Å; G30-S52 WeakPolarHBondContact O-CA 3.48Å; N49-S52 PolarHBondContact ND2-OG 3.01Å; N49-S52 WeakPolarHBondContact OD1-CB 3.46Å; N49-S52 PolarHBondContact OD1-N 2.93Å; N49-S52 PolarHBondContact OD1-OG 3.45Å; S52-G54 PolarHBondContact O-N 3.38Å; S52-T55 PolarHBondContact N-OG1 3.04Å; S52-T55 WeakPolarHBondContact O-CB 3.44Å; S52-T55 PolarHBondContact O-N 2.96Å; S52-T55 PolarHBondContact O-OG1 3.42Å; S52-C75 WeakPolarHBondContact O-CB 3.23Å |
| 53 | V | 93.7 | Very high | 91.2 | Very high | 59 Ų | 59 | 61.7 Ų | 61.7 | 36% | 0.358 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 133.9 | 172.9 | 174.5 | 0 | 0 | 0 | 0 | 110.1 | G30 C75 A82 | G30-V53 WeakPolarHBondContact O-CG2 3.27Å; G30-V53 PolarHBondContact O-N 3.28Å; V53-C75 WeakPolarHBondContact CA-O 3.39Å; V53-A82 HydrophobicContact CG2-CB 3.63Å |
| 54 | G | 92.1 | Very high | 90.9 | Very high | 38 Ų | 38 | 62.9 Ų | 62.9 | 39% | 0.392 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 89.4 | -6.2 | -172 | 0 | 0 | 0 | 0 | 0 | 114.4 | S52 C75 | S52-G54 PolarHBondContact O-N 3.38Å; G54-C75 PolarHBondContact N-O 2.99Å |
| 55 | T | 94.2 | Very high | 90.7 | Very high | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.006 | 35% | 0.35 | C | S | . | . | trans | -68 | 136.5 | 172.8 | -61.6 | 0 | 0 | 0 | 0 | 110.7 | V45 R47 N49 S52 L57 T74 C75 W84 | V45-T55 HydrophobicContact CG1-CG2 4.16Å; R47-T55 CarbonylContact O-C 3.5Å; R47-T55 WeakPolarHBondContact O-CA 3.45Å; R47-T55 VanDerWaalsContact O-CG2 3.29Å; R47-T55 WeakPolarHBondContact O-CG2 3.44Å; N49-T55 PolarHBondContact N-OG1 3.22Å; S52-T55 PolarHBondContact N-OG1 3.04Å; S52-T55 WeakPolarHBondContact O-CB 3.44Å; S52-T55 PolarHBondContact O-N 2.96Å; S52-T55 PolarHBondContact O-OG1 3.42Å; T55-L57 HydrophobicContact CG2-CD2 3.8Å; T55-L57 HydrophobicContact CG2-CG 4.2Å; T55-T74 CarbonylContact O-C 3.5Å; T55-T74 WeakPolarHBondContact O-CA 3.36Å; T55-C75 PolarHBondContact O-N 3.3Å; T55-W84 HydrophobicContact CG2-CH2 4.18Å | ||
| 56 | V | 94.5 | Very high | 90.4 | Very high | 22 Ų | 22 | 62.7 Ų | 62.7 | 13% | 0.133 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 124.3 | 174.7 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | L46 R47 L72 L73 T74 | L46-V56 HydrophobicContact CB-CB 4.33Å; L46-V56 HydrophobicContact CB-CG1 4.23Å; L46-V56 HydrophobicContact CD2-CG1 4.29Å; L46-V56 PolarHBondContact N-O 3.45Å; R47-V56 HydrophobicContact CB-CB 4.05Å; R47-V56 HydrophobicContact CB-CG2 4.06Å; R47-V56 PolarHBondContact N-O 3.16Å; R47-V56 PolarHBondContact O-N 3.42Å; V56-L72 HydrophobicContact CG1-CD1 3.51Å; V56-L72 HydrophobicContact CG1-CD2 4.34Å; V56-L72 HydrophobicContact CG1-CG 3.94Å; V56-L73 CarbonylContact C-O 3.43Å; V56-L73 WeakPolarHBondContact CA-O 3.49Å; V56-T74 HydrophobicContact CG2-CG2 3.97Å |
| 57 | L | 93.2 | Very high | 90.2 | Very high | 6 Ų | 6 | 59.7 Ų | 59.7 | 3% | 0.031 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 132.4 | 178.7 | -57.5 | -175.7 | 0 | 0 | 0 | 110.3 | L35 F43 Q44 V45 T55 F59 L72 L73 W84 | L35-L57 HydrophobicContact CD1-CD1 3.94Å; F43-L57 HydrophobicContact CD2-CD2 4.14Å; F43-L57 HydrophobicContact CE2-CD2 4.35Å; Q44-L57 CarbonylContact O-C 3.51Å; Q44-L57 WeakPolarHBondContact O-CA 3.49Å; V45-L57 HydrophobicContact CB-CD2 4.17Å; V45-L57 HydrophobicContact CG1-CD2 4.23Å; V45-L57 HydrophobicContact CG2-CD2 3.69Å; T55-L57 HydrophobicContact CG2-CD2 3.8Å; T55-L57 HydrophobicContact CG2-CG 4.2Å; L57-F59 HydrophobicContact CB-CE2 3.95Å; L57-F59 HydrophobicContact CB-CZ 4.49Å; L57-F59 HydrophobicContact CD1-CZ 4.39Å; L57-L72 CarbonylContact O-C 3.59Å; L57-L72 WeakPolarHBondContact O-CA 3.39Å; L57-L73 HydrophobicContact CB-CB 4.46Å; L57-L73 PolarHBondContact N-O 3.19Å; L57-L73 PolarHBondContact O-N 2.84Å; L57-W84 HydrophobicContact CD1-CH2 3.45Å; L57-W84 VanDerWaalsContact CD1-CH2 3.45Å; L57-W84 HydrophobicContact CD1-CZ2 3.94Å; L57-W84 HydrophobicContact CD1-CZ3 3.92Å; L57-W84 HydrophobicContact CG-CH2 3.79Å; L57-W84 HydrophobicContact CG-CZ3 3.95Å |
| 58 | M | 92.8 | Very high | 90.2 | Very high | 55 Ų | 55 | 54.2 Ų | 54.2 | 27% | 0.271 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 122.9 | 173 | 178.8 | 169.5 | 49.5 | 0 | 0 | 110.1 | F43 Q44 G71 L72 | F43-M58 CarbonylContact C-O 3.59Å; F43-M58 VanDerWaalsContact CA-O 3.26Å; F43-M58 WeakPolarHBondContact CA-O 3.29Å; Q44-M58 PolarHBondContact N-O 2.66Å; Q44-M58 PolarHBondContact O-N 3.04Å; M58-G71 CarbonylContact C-O 3.58Å; M58-G71 WeakPolarHBondContact CA-O 3.4Å; M58-L72 HydrophobicContact CB-CD1 4.13Å |
| 59 | F | 92.1 | Very high | 90.2 | Very high | 10 Ų | 10 | 54.6 Ų | 54.6 | 4% | 0.044 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 147.4 | 178.5 | -68.7 | -93.9 | 0 | 0 | 0 | 110.9 | L35 A41 T42 F43 L57 M67 G71 L73 P89 | L35-F59 HydrophobicContact CD1-CE2 4.4Å; L35-F59 HydrophobicContact CD1-CZ 3.8Å; A41-F59 HydrophobicContact CB-CD1 4.46Å; T42-F59 CarbonylContact O-C 3.52Å; T42-F59 WeakPolarHBondContact O-CA 3.49Å; F43-F59 HydrophobicContact CB-CD1 3.71Å; F43-F59 HydrophobicContact CB-CE1 3.68Å; F43-F59 HydrophobicContact CB-CG 4.24Å; F43-F59 HydrophobicContact CB-CZ 4.17Å; F43-F59 HydrophobicContact CG-CE1 4.36Å; L57-F59 HydrophobicContact CB-CE2 3.95Å; L57-F59 HydrophobicContact CB-CZ 4.49Å; L57-F59 HydrophobicContact CD1-CZ 4.39Å; F59-M67 HydrophobicContact CB-CE 3.57Å; F59-M67 WeakPolarHBondContact O-CE 3.47Å; F59-G71 PolarHBondContact N-O 2.83Å; F59-L73 HydrophobicContact CD2-CD1 4.1Å; F59-L73 HydrophobicContact CE2-CB 4.15Å; F59-L73 HydrophobicContact CE2-CD1 3.88Å; F59-L73 HydrophobicContact CE2-CD2 4Å; F59-L73 HydrophobicContact CE2-CG 4.22Å; F59-L73 HydrophobicContact CZ-CD2 4.45Å; F59-P89 HydrophobicContact CB-CG 3.74Å; F59-P89 HydrophobicContact CD1-CG 3.8Å; F59-P89 HydrophobicContact CD2-CG 3.76Å; F59-P89 HydrophobicContact CE1-CG 4.37Å; F59-P89 HydrophobicContact CE2-CG 4.36Å; F59-P89 HydrophobicContact CG-CG 3.46Å; F59-P89 VanDerWaalsContact CG-CG 3.46Å |
| 60 | R | 91.3 | Very high | 90.3 | Very high | 121 Ų | 121 | 51.2 Ų | 51.2 | 46% | 0.457 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 128.1 | 174 | -64.3 | -175.3 | -172.6 | 166.3 | 6.2 | 109.9 | T42 | T42-R60 PolarHBondContact N-O 3.28Å; T42-R60 PolarHBondContact O-N 3.08Å; T42-R60 PolarHBondContact OG1-O 2.95Å |
| 61 | C | 91.1 | Very high | 90.5 | Very high | 30 Ų | 30 | 51.4 Ų | 51.4 | 20% | 0.203 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -85.7 | 150.5 | 171.7 | -68 | 0 | 0 | 0 | 0 | 110.7 | H65 C91 | C61-H65 HydrophobicContact CB-CB 3.98Å; C61-C91 WeakPolarHBondContact CA-SG 3.25Å; C61-C91 HydrophobicContact CB-CB 3.91Å; C61-C91 WeakPolarHBondContact CB-SG 3.15Å; C61-C91 VanDerWaalsContact SG-CA 3.52Å; C61-C91 WeakPolarHBondContact SG-CB 3.22Å; C61-C91 CovalentContact SG-SG 2.04Å; C61-C91 PolarHBondContact SG-SG 3.27Å |
| 62 | P | 88.6 | Confident | 90.8 | Very high | 52 Ų | 52 | 54.1 Ų | 54.1 | 34% | 0.338 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -67.4 | 160 | 175.7 | 26.6 | -32 | 0 | 0 | 0 | 110.2 | Q40 N64 H65 | Q40-P62 HydrophobicContact CB-CG 4.4Å; Q40-P62 WeakPolarHBondContact O-CD 3.37Å; P62-N64 PolarHBondContact O-N 3.41Å; P62-H65 HydrophobicContact CG-CB 4.24Å; P62-H65 PolarHBondContact O-N 3.39Å |
| 63 | S | 84.6 | Confident | 90.8 | Very high | 112 Ų | 112 | 52.5 Ų | 52.5 | 78% | 0.783 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | 138.2 | 173.1 | 56.2 | 0 | 0 | 0 | 0 | 109.8 | H65 | S63-H65 VanDerWaalsContact C-N 3.35Š|
| 64 | N | 82.6 | Confident | 90.9 | Very high | 107 Ų | 107 | 51.5 Ų | 51.5 | 57% | 0.572 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.5 | 0.1 | -174 | 85.5 | 6.6 | 0 | 0 | 0 | 116.9 | P62 L93 V94 | P62-N64 PolarHBondContact O-N 3.41Å; N64-L93 HydrophobicContact CB-CD1 4.39Å; N64-L93 WeakPolarHBondContact O-CD1 3.3Å; N64-V94 PolarHBondContact O-N 3.47Å |
| 65 | H | 89.1 | Confident | 91 | Very high | 34 Ų | 34 | 49.7 Ų | 49.7 | 16% | 0.157 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 140 | 170.8 | -67.8 | 67.7 | 0 | 0 | 0 | 111.8 | Q40 C61 P62 S63 C91 K92 | Q40-H65 PolarHBondContact OE1-CD2 3.28Å; Q40-H65 PolarHBondContact OE1-NE2 3.47Å; C61-H65 HydrophobicContact CB-CB 3.98Å; P62-H65 HydrophobicContact CG-CB 4.24Å; P62-H65 PolarHBondContact O-N 3.39Å; S63-H65 VanDerWaalsContact C-N 3.35Å; H65-C91 HydrophobicContact CB-CB 3.97Å; H65-K92 CarbonylContact C-O 3.55Å; H65-K92 WeakPolarHBondContact CA-O 3.34Å |
| 66 | Q | 87.7 | Confident | 91 | Very high | 114 Ų | 114 | 52.6 Ų | 52.6 | 53% | 0.533 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 137.5 | 170.7 | -161.6 | 168.4 | 19.1 | 0 | 0 | 109.6 | K92 V94 | Q66-K92 PolarHBondContact N-O 2.83Å; Q66-K92 PolarHBondContact O-N 3.24Å; Q66-V94 HydrophobicContact CB-CG2 3.68Å |
| 67 | M | 90.1 | Very high | 90.9 | Very high | 54 Ų | 54 | 58.6 Ų | 58.6 | 27% | 0.266 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 133 | 173.1 | -172.8 | 175.8 | -69.9 | 0 | 0 | 110.7 | F59 G71 P89 | F59-M67 HydrophobicContact CB-CE 3.57Å; F59-M67 WeakPolarHBondContact O-CE 3.47Å; M67-G71 WeakPolarHBondContact SD-CA 3.5Å; M67-G71 PolarHBondContact SD-N 2.9Å; M67-P89 HydrophobicContact CG-CB 3.8Å; M67-P89 HydrophobicContact SD-CB 3.95Å; M67-P89 HydrophobicContact SD-CG 4.42Å |
| 68 | V | 90.9 | Very high | 90.8 | Very high | 69 Ų | 69 | 64.6 Ų | 64.6 | 42% | 0.418 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 119.1 | 169.6 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | P89 V90 K92 | V68-P89 WeakPolarHBondContact O-CA 3.45Å; V68-V90 PolarHBondContact N-O 3.45Å; V68-V90 PolarHBondContact O-N 2.81Å; V68-K92 HydrophobicContact CG2-CB 4.36Å; V68-K92 HydrophobicContact CG2-CD 3.76Å; V68-K92 HydrophobicContact CG2-CG 3.89Å |
| 69 | G | 90.3 | Very high | 90.5 | Very high | 63 Ų | 63 | 65.6 Ų | 65.6 | 65% | 0.649 | 38% | 0.38 | S | S | * | . | S | Bend | trans | 107.9 | -163.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 70 | S | 91.1 | Very high | 90.2 | Very high | 44 Ų | 44 | 69.3 Ų | 69.3 | 31% | 0.308 | 41% | 0.407 | S | S | . | . | trans | -83.9 | 123.6 | -176.5 | -58.5 | 0 | 0 | 0 | 0 | 111.5 | L72 L73 S86 P89 | S70-L72 PolarHBondContact O-N 3.21Å; S70-L73 VanDerWaalsContact O-CD1 3.25Å; S70-L73 WeakPolarHBondContact O-CD1 3.26Å; S70-S86 WeakPolarHBondContact OG-CB 3.44Å; S70-S86 PolarHBondContact OG-OG 3Å; S70-P89 WeakPolarHBondContact O-CB 3.44Å; S70-P89 WeakPolarHBondContact O-CG 3.49Å | ||
| 71 | G | 90.7 | Very high | 90.1 | Very high | 27 Ų | 27 | 68 Ų | 68 | 28% | 0.278 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -76.1 | -8.2 | 173 | 0 | 0 | 0 | 0 | 0 | 114.8 | M58 F59 M67 | M58-G71 CarbonylContact C-O 3.58Å; M58-G71 WeakPolarHBondContact CA-O 3.4Å; F59-G71 PolarHBondContact N-O 2.83Å; M67-G71 WeakPolarHBondContact SD-CA 3.5Å; M67-G71 PolarHBondContact SD-N 2.9Å |
| 72 | L | 93.8 | Very high | 90.2 | Very high | 84 Ų | 84 | 67 Ų | 67 | 44% | 0.44 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 120 | 178.8 | -166.1 | 74.9 | 0 | 0 | 0 | 109.4 | V56 L57 M58 S70 | V56-L72 HydrophobicContact CG1-CD1 3.51Å; V56-L72 HydrophobicContact CG1-CD2 4.34Å; V56-L72 HydrophobicContact CG1-CG 3.94Å; L57-L72 CarbonylContact O-C 3.59Å; L57-L72 WeakPolarHBondContact O-CA 3.39Å; M58-L72 HydrophobicContact CB-CD1 4.13Å; S70-L72 PolarHBondContact O-N 3.21Å |
| 73 | L | 93.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 131.1 | 176 | -87.9 | 65.7 | 0 | 0 | 0 | 109.3 | L35 V56 L57 F59 S70 W84 S86 | L35-L73 HydrophobicContact CD1-CD2 3.52Å; L35-L73 HydrophobicContact CD2-CD2 4.02Å; L35-L73 HydrophobicContact CG-CD2 4.44Å; V56-L73 CarbonylContact C-O 3.43Å; V56-L73 WeakPolarHBondContact CA-O 3.49Å; L57-L73 HydrophobicContact CB-CB 4.46Å; L57-L73 PolarHBondContact N-O 3.19Å; L57-L73 PolarHBondContact O-N 2.84Å; F59-L73 HydrophobicContact CD2-CD1 4.1Å; F59-L73 HydrophobicContact CE2-CB 4.15Å; F59-L73 HydrophobicContact CE2-CD1 3.88Å; F59-L73 HydrophobicContact CE2-CD2 4Å; F59-L73 HydrophobicContact CE2-CG 4.22Å; F59-L73 HydrophobicContact CZ-CD2 4.45Å; S70-L73 VanDerWaalsContact O-CD1 3.25Å; S70-L73 WeakPolarHBondContact O-CD1 3.26Å; L73-W84 HydrophobicContact CB-CE3 3.87Å; L73-W84 HydrophobicContact CB-CZ3 4.35Å; L73-W84 HydrophobicContact CD2-CB 4.33Å; L73-W84 HydrophobicContact CD2-CD2 4.5Å; L73-W84 HydrophobicContact CD2-CG 4.38Å; L73-S86 WeakPolarHBondContact CD2-O 3.4Å |
| 74 | T | 94.8 | Very high | 90.8 | Very high | 38 Ų | 38 | 64.7 Ų | 64.7 | 23% | 0.233 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 129.2 | 175.1 | -53.9 | 0 | 0 | 0 | 0 | 109.6 | T55 V56 T76 W84 S85 | T55-T74 CarbonylContact O-C 3.5Å; T55-T74 WeakPolarHBondContact O-CA 3.36Å; V56-T74 HydrophobicContact CG2-CG2 3.97Å; T74-T76 HydrophobicContact CG2-CG2 3.67Å; T74-T76 PolarHBondContact O-N 3.49Å; T74-W84 VanDerWaalsContact C-CE3 3.49Å; T74-W84 CarbonylContact O-C 3.57Å; T74-S85 PolarHBondContact N-OG 3.26Å; T74-S85 PolarHBondContact O-N 2.88Å |
| 75 | C | 93.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 113 | 173.9 | -178.9 | 0 | 0 | 0 | 0 | 108.1 | C32 A51 S52 V53 G54 T55 W84 | C32-C75 HydrophobicContact CB-CB 3.92Å; C32-C75 WeakPolarHBondContact CB-SG 2.9Å; C32-C75 PolarHBondContact N-SG 2.8Å; C32-C75 WeakPolarHBondContact SG-CA 3.39Å; C32-C75 WeakPolarHBondContact SG-CB 3.4Å; C32-C75 CovalentContact SG-SG 2.02Å; C32-C75 PolarHBondContact SG-SG 3.1Å; A51-C75 PolarHBondContact O-SG 3.29Å; S52-C75 WeakPolarHBondContact O-CB 3.23Å; V53-C75 WeakPolarHBondContact CA-O 3.39Å; G54-C75 PolarHBondContact N-O 2.99Å; T55-C75 PolarHBondContact O-N 3.3Å; C75-W84 HydrophobicContact CB-CD2 4.37Å; C75-W84 HydrophobicContact CB-CE3 3.8Å; C75-W84 HydrophobicContact CB-CH2 3.89Å; C75-W84 HydrophobicContact CB-CZ2 4.44Å; C75-W84 HydrophobicContact CB-CZ3 3.55Å; C75-W84 VanDerWaalsContact N-CE3 3.34Å; C75-W84 VanDerWaalsContact N-CZ3 3.34Å |
| 76 | T | 94.1 | Very high | 91.4 | Very high | 63 Ų | 63 | 62.8 Ų | 62.8 | 39% | 0.387 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 165.4 | -177 | 60.3 | 0 | 0 | 0 | 0 | 111 | T74 E83 | T74-T76 HydrophobicContact CG2-CG2 3.67Å; T74-T76 PolarHBondContact O-N 3.49Å; T76-E83 PolarHBondContact N-O 2.79Å; T76-E83 PolarHBondContact O-N 2.89Å; T76-E83 VanDerWaalsContact O-O 3.07Å |
| 77 | W | 93.2 | Very high | 91.5 | Very high | 147 Ų | 147 | 60.1 Ų | 60.1 | 56% | 0.557 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 119.8 | 177.6 | -129.4 | 112.9 | 0 | 0 | 0 | 109.2 | G79 S80 I81 | W77-G79 VanDerWaalsContact CH2-O 3.32Å; W77-G79 WeakPolarHBondContact CH2-O 3.44Å; W77-G79 WeakPolarHBondContact CZ3-O 3.34Å; W77-S80 WeakPolarHBondContact CH2-O 3.34Å; W77-I81 VanDerWaalsContact CH2-N 3.34Å |
| 78 | K | 90.7 | Very high | 91.3 | Very high | 132 Ų | 132 | 59.6 Ų | 59.6 | 57% | 0.574 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 99.3 | 169.8 | -166 | -172.2 | -172.5 | -175.1 | 0 | 111.6 | S80 I81 E83 | K78-S80 PolarHBondContact O-N 3.33Å; K78-I81 CarbonylContact C-O 3.54Å; K78-I81 PolarHBondContact N-O 3.48Å; K78-I81 PolarHBondContact O-N 2.93Å; K78-I81 VanDerWaalsContact O-N 3.09Å; K78-E83 HydrophobicContact CB-CB 4.26Å; K78-E83 WeakPolarHBondContact CD-OE2 3.16Å; K78-E83 WeakPolarHBondContact CE-OE2 3.29Å; K78-E83 IonicContact NZ-OE2 2.73Å; K78-E83 PolarHBondContact NZ-OE2 2.99Å |
| 79 | G | 87.1 | Confident | 91.4 | Very high | 77 Ų | 77 | 56.4 Ų | 56.4 | 79% | 0.794 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.8 | -94.9 | 170.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | W77 | W77-G79 VanDerWaalsContact CH2-O 3.32Å; W77-G79 WeakPolarHBondContact CH2-O 3.44Å; W77-G79 WeakPolarHBondContact CZ3-O 3.34Å |
| 80 | S | 84.9 | Confident | 91.4 | Very high | 87 Ų | 87 | 56.9 Ų | 56.9 | 61% | 0.608 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.4 | 5.2 | 165.4 | 83.6 | 0 | 0 | 0 | 0 | 117.9 | W77 K78 | W77-S80 WeakPolarHBondContact CH2-O 3.34Å; K78-S80 PolarHBondContact O-N 3.33Å |
| 81 | I | 89.8 | Confident | 91.4 | Very high | 94 Ų | 94 | 55.3 Ų | 55.3 | 48% | 0.482 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 149 | -177.9 | -59.9 | 158.3 | 0 | 0 | 0 | 112.6 | W77 K78 | W77-I81 VanDerWaalsContact CH2-N 3.34Å; K78-I81 CarbonylContact C-O 3.54Å; K78-I81 PolarHBondContact N-O 3.48Å; K78-I81 PolarHBondContact O-N 2.93Å; K78-I81 VanDerWaalsContact O-N 3.09Å |
| 82 | A | 92.2 | Very high | 91.3 | Very high | 9 Ų | 9 | 59.9 Ų | 59.9 | 7% | 0.074 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 118.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | V53 | V53-A82 HydrophobicContact CG2-CB 3.63Å |
| 83 | E | 93.3 | Very high | 91 | Very high | 90 Ų | 90 | 60.9 Ų | 60.9 | 42% | 0.421 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 147.4 | -176.9 | -163.6 | 177.7 | -161.5 | 0 | 0 | 111.6 | T76 K78 | T76-E83 PolarHBondContact N-O 2.79Å; T76-E83 PolarHBondContact O-N 2.89Å; T76-E83 VanDerWaalsContact O-O 3.07Å; K78-E83 HydrophobicContact CB-CB 4.26Å; K78-E83 WeakPolarHBondContact CD-OE2 3.16Å; K78-E83 WeakPolarHBondContact CE-OE2 3.29Å; K78-E83 IonicContact NZ-OE2 2.73Å; K78-E83 PolarHBondContact NZ-OE2 2.99Å |
| 84 | W | 93.6 | Very high | 90.5 | Very high | 25 Ų | 25 | 63 Ų | 63 | 10% | 0.095 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 143.4 | 172.3 | -67.9 | 111 | 0 | 0 | 0 | 110.9 | C32 A33 L35 T55 L57 L73 T74 C75 S86 | C32-W84 HydrophobicContact CB-CD2 3.86Å; C32-W84 HydrophobicContact CB-CG 4.1Å; C32-W84 HydrophobicContact CB-CZ2 3.77Å; C32-W84 VanDerWaalsContact CB-NE1 3.35Å; A33-W84 PolarHBondContact O-NE1 3.44Å; L35-W84 HydrophobicContact CD1-CD2 4.29Å; L35-W84 HydrophobicContact CD1-CZ2 4.26Å; L35-W84 HydrophobicContact CD2-CG 4.3Å; T55-W84 HydrophobicContact CG2-CH2 4.18Å; L57-W84 HydrophobicContact CD1-CH2 3.45Å; L57-W84 VanDerWaalsContact CD1-CH2 3.45Å; L57-W84 HydrophobicContact CD1-CZ2 3.94Å; L57-W84 HydrophobicContact CD1-CZ3 3.92Å; L57-W84 HydrophobicContact CG-CH2 3.79Å; L57-W84 HydrophobicContact CG-CZ3 3.95Å; L73-W84 HydrophobicContact CB-CE3 3.87Å; L73-W84 HydrophobicContact CB-CZ3 4.35Å; L73-W84 HydrophobicContact CD2-CB 4.33Å; L73-W84 HydrophobicContact CD2-CD2 4.5Å; L73-W84 HydrophobicContact CD2-CG 4.38Å; T74-W84 VanDerWaalsContact C-CE3 3.49Å; T74-W84 CarbonylContact O-C 3.57Å; C75-W84 HydrophobicContact CB-CD2 4.37Å; C75-W84 HydrophobicContact CB-CE3 3.8Å; C75-W84 HydrophobicContact CB-CH2 3.89Å; C75-W84 HydrophobicContact CB-CZ2 4.44Å; C75-W84 HydrophobicContact CB-CZ3 3.55Å; C75-W84 VanDerWaalsContact N-CE3 3.34Å; C75-W84 VanDerWaalsContact N-CZ3 3.34Å; W84-S86 PolarHBondContact O-N 3.28Å; W84-S86 VanDerWaalsContact O-N 3.13Å |
| 85 | S | 93.5 | Very high | 89.6 | Confident | 61 Ų | 61 | 65 Ų | 65 | 43% | 0.427 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -60.7 | -21.1 | 178.3 | 61.8 | 0 | 0 | 0 | 0 | 114.1 | T74 | T74-S85 PolarHBondContact N-OG 3.26Å; T74-S85 PolarHBondContact O-N 2.88Å |
| 86 | S | 91.5 | Very high | 88.3 | Confident | 41 Ų | 41 | 70.1 Ų | 70.1 | 29% | 0.287 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -154.7 | 164.3 | 180 | -62.9 | 0 | 0 | 0 | 0 | 110.4 | S70 L73 W84 | S70-S86 WeakPolarHBondContact OG-CB 3.44Å; S70-S86 PolarHBondContact OG-OG 3Å; L73-S86 WeakPolarHBondContact CD2-O 3.4Å; W84-S86 PolarHBondContact O-N 3.28Å; W84-S86 VanDerWaalsContact O-N 3.13Å |
| 87 | G | 88.4 | Confident | 86.9 | Confident | 58 Ų | 58 | 73.4 Ų | 73.4 | 60% | 0.598 | 43% | 0.425 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 163.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 88 | S | 87.1 | Confident | 85.5 | Confident | 42 Ų | 42 | 73.1 Ų | 73.1 | 29% | 0.294 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 125.9 | 175.9 | -164.7 | 0 | 0 | 0 | 0 | 110.3 | R36 | R36-S88 PolarHBondContact O-OG 2.84Š|
| 89 | P | 91.8 | Very high | 84.2 | Confident | 3 Ų | 3 | 70.5 Ų | 70.5 | 2% | 0.019 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -68.6 | 156 | 178.5 | 28.3 | -33.4 | 0 | 0 | 0 | 110.9 | P38 F59 M67 V68 S70 | P38-P89 WeakPolarHBondContact CG-O 3.25Å; F59-P89 HydrophobicContact CB-CG 3.74Å; F59-P89 HydrophobicContact CD1-CG 3.8Å; F59-P89 HydrophobicContact CD2-CG 3.76Å; F59-P89 HydrophobicContact CE1-CG 4.37Å; F59-P89 HydrophobicContact CE2-CG 4.36Å; F59-P89 HydrophobicContact CG-CG 3.46Å; F59-P89 VanDerWaalsContact CG-CG 3.46Å; M67-P89 HydrophobicContact CG-CB 3.8Å; M67-P89 HydrophobicContact SD-CB 3.95Å; M67-P89 HydrophobicContact SD-CG 4.42Å; V68-P89 WeakPolarHBondContact O-CA 3.45Å; S70-P89 WeakPolarHBondContact O-CB 3.44Å; S70-P89 WeakPolarHBondContact O-CG 3.49Å |
| 90 | V | 90.3 | Very high | 83.5 | Confident | 73 Ų | 73 | 72.8 Ų | 72.8 | 44% | 0.442 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 133 | 175.7 | 179.8 | 0 | 0 | 0 | 0 | 109.5 | V68 K92 | V68-V90 PolarHBondContact N-O 3.45Å; V68-V90 PolarHBondContact O-N 2.81Å; V90-K92 HydrophobicContact CG1-CG 4.32Å |
| 91 | C | 90.7 | Very high | 83.2 | Confident | 11 Ų | 11 | 70.7 Ų | 70.7 | 7% | 0.074 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 118.2 | 170.1 | -62.1 | 0 | 0 | 0 | 0 | 108.8 | Q40 A41 C61 H65 | Q40-C91 HydrophobicContact CB-CB 4.39Å; A41-C91 VanDerWaalsContact CB-SG 3.59Å; C61-C91 WeakPolarHBondContact CA-SG 3.25Å; C61-C91 HydrophobicContact CB-CB 3.91Å; C61-C91 WeakPolarHBondContact CB-SG 3.15Å; C61-C91 VanDerWaalsContact SG-CA 3.52Å; C61-C91 WeakPolarHBondContact SG-CB 3.22Å; C61-C91 CovalentContact SG-SG 2.04Å; C61-C91 PolarHBondContact SG-SG 3.27Å; H65-C91 HydrophobicContact CB-CB 3.97Å |
| 92 | K | 89.3 | Confident | 82.9 | Confident | 122 Ų | 122 | 73.3 Ų | 73.3 | 53% | 0.53 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 142.6 | 172.7 | -64.7 | -167.9 | -175 | 176 | 0 | 109.3 | H65 Q66 V68 V90 V94 | H65-K92 CarbonylContact C-O 3.55Å; H65-K92 WeakPolarHBondContact CA-O 3.34Å; Q66-K92 PolarHBondContact N-O 2.83Å; Q66-K92 PolarHBondContact O-N 3.24Å; V68-K92 HydrophobicContact CG2-CB 4.36Å; V68-K92 HydrophobicContact CG2-CD 3.76Å; V68-K92 HydrophobicContact CG2-CG 3.89Å; V90-K92 HydrophobicContact CG1-CG 4.32Å; K92-V94 PolarHBondContact O-N 2.9Å |
| 93 | L | 87.2 | Confident | 82.6 | Confident | 106 Ų | 106 | 78.8 Ų | 78.8 | 56% | 0.555 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 130 | 174 | -168.6 | 70.9 | 0 | 0 | 0 | 109.3 | N64 P95 | N64-L93 HydrophobicContact CB-CD1 4.39Å; N64-L93 WeakPolarHBondContact O-CD1 3.3Å; L93-P95 VanDerWaalsContact O-CD 3.24Å; L93-P95 WeakPolarHBondContact O-CD 3.49Å |
| 94 | V | 84.4 | Confident | 82.4 | Confident | 45 Ų | 45 | 77.7 Ų | 77.7 | 27% | 0.273 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -69.4 | 117 | 173.3 | 176.5 | 0 | 0 | 0 | 0 | 107.4 | N64 Q66 K92 E98 | N64-V94 PolarHBondContact O-N 3.47Å; Q66-V94 HydrophobicContact CB-CG2 3.68Å; K92-V94 PolarHBondContact O-N 2.9Å; V94-E98 HydrophobicContact CG1-CB 4.45Å |
| 95 | P | 75.3 | Confident | 82.3 | Confident | 78 Ų | 78 | 79.4 Ų | 79.4 | 51% | 0.506 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 141 | 171.1 | -18.3 | 32.1 | 0 | 0 | 0 | 108.8 | L93 H97 E98 | L93-P95 VanDerWaalsContact O-CD 3.24Å; L93-P95 WeakPolarHBondContact O-CD 3.49Å; P95-H97 PolarHBondContact O-N 3.14Å; P95-E98 PolarHBondContact O-N 3.27Å |
| 96 | P | 66.6 | Low | 82.3 | Confident | 108 Ų | 108 | 79.1 Ų | 79.1 | 70% | 0.701 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -18.7 | -178.5 | -24.9 | 32.1 | 0 | 0 | 0 | 114.7 | E98 T99 F100 | P96-E98 PolarHBondContact O-N 3.46Å; P96-T99 PolarHBondContact O-N 2.86Å; P96-T99 PolarHBondContact O-OG1 3.5Å; P96-F100 PolarHBondContact O-N 2.82Å |
| 97 | H | 63.6 | Low | 82.5 | Confident | 133 Ų | 133 | 82.2 Ų | 82.2 | 62% | 0.616 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.5 | -32 | -172 | -164.8 | -98.6 | 0 | 0 | 0 | 114.6 | P95 T99 F100 G101 | P95-H97 PolarHBondContact O-N 3.14Å; H97-T99 VanDerWaalsContact C-N 3.29Å; H97-T99 PolarHBondContact O-N 3.29Å; H97-F100 WeakPolarHBondContact O-CB 3.38Å; H97-F100 PolarHBondContact O-N 3.3Å; H97-G101 PolarHBondContact O-N 3.42Å |
| 98 | E | 64.1 | Low | 82.8 | Confident | 140 Ų | 140 | 82.1 Ų | 82.1 | 65% | 0.654 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.6 | -34.8 | 178.1 | -73.5 | -63.7 | 136.7 | 0 | 0 | 112.1 | V94 P95 P96 | V94-E98 HydrophobicContact CG1-CB 4.45Å; P95-E98 PolarHBondContact O-N 3.27Å; P96-E98 PolarHBondContact O-N 3.46Å |
| 99 | T | 64.5 | Low | 83.3 | Confident | 77 Ų | 77 | 83.4 Ų | 83.4 | 47% | 0.472 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -81.9 | -21 | 173.9 | 66.1 | 0 | 0 | 0 | 0 | 113.1 | P96 H97 K103 | P96-T99 PolarHBondContact O-N 2.86Å; P96-T99 PolarHBondContact O-OG1 3.5Å; H97-T99 VanDerWaalsContact C-N 3.29Å; H97-T99 PolarHBondContact O-N 3.29Å; T99-K103 WeakPolarHBondContact O-CB 3.35Å; T99-K103 VanDerWaalsContact O-CG 3.27Å; T99-K103 WeakPolarHBondContact O-CG 3.21Å; T99-K103 PolarHBondContact O-N 3.37Å; T99-K103 VanDerWaalsContact O-N 3.1Å |
| 100 | F | 71.6 | Confident | 83.6 | Confident | 125 Ų | 125 | 88.4 Ų | 88.4 | 55% | 0.548 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.2 | -40.1 | 179.4 | -165.9 | -102.8 | 0 | 0 | 0 | 110.7 | P96 H97 F102 K103 V104 | P96-F100 PolarHBondContact O-N 2.82Å; H97-F100 WeakPolarHBondContact O-CB 3.38Å; H97-F100 PolarHBondContact O-N 3.3Å; F100-F102 PolarHBondContact O-N 3.45Å; F100-K103 PolarHBondContact O-N 3.03Å; F100-V104 HydrophobicContact CD1-CG2 3.66Å; F100-V104 HydrophobicContact CD2-CG2 4.5Å; F100-V104 HydrophobicContact CE1-CG2 3.42Å; F100-V104 VanDerWaalsContact CE1-CG2 3.42Å; F100-V104 HydrophobicContact CE2-CG2 4.3Å; F100-V104 HydrophobicContact CG-CG2 4.2Å; F100-V104 HydrophobicContact CZ-CG2 3.77Å; F100-V104 WeakPolarHBondContact O-CB 3.22Å; F100-V104 WeakPolarHBondContact O-CG2 3.36Å; F100-V104 PolarHBondContact O-N 2.67Å |
| 101 | G | 78.5 | Confident | 83.9 | Confident | 43 Ų | 43 | 88.8 Ų | 88.8 | 44% | 0.443 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -57 | -49.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | H97 V104 A105 | H97-G101 PolarHBondContact O-N 3.42Å; G101-V104 PolarHBondContact O-N 2.87Å; G101-A105 WeakPolarHBondContact O-CB 3.38Å; G101-A105 PolarHBondContact O-N 3.19Å |
| 102 | F | 83.4 | Confident | 84.3 | Confident | 149 Ų | 149 | 91.1 Ų | 91.1 | 65% | 0.654 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.7 | -45 | 176.5 | 176.4 | -103.3 | 0 | 0 | 0 | 112.1 | F100 V104 A105 V106 | F100-F102 PolarHBondContact O-N 3.45Å; F102-V104 PolarHBondContact O-N 3.43Å; F102-A105 PolarHBondContact O-N 2.78Å; F102-V106 HydrophobicContact CD1-CG2 4.26Å; F102-V106 HydrophobicContact CD2-CG2 4.26Å; F102-V106 HydrophobicContact CE1-CG2 3.87Å; F102-V106 HydrophobicContact CE2-CG2 3.86Å; F102-V106 HydrophobicContact CG-CG2 4.45Å; F102-V106 HydrophobicContact CZ-CG2 3.65Å; F102-V106 WeakPolarHBondContact O-CB 3.2Å; F102-V106 VanDerWaalsContact O-CG2 3.27Å; F102-V106 WeakPolarHBondContact O-CG2 3.43Å; F102-V106 PolarHBondContact O-N 2.97Å |
| 103 | K | 85.4 | Confident | 84.7 | Confident | 125 Ų | 125 | 88.4 Ų | 88.4 | 54% | 0.543 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 178.1 | -73.2 | 178.8 | 177.4 | -167.1 | 0 | 112.1 | T99 F100 V106 I107 | T99-K103 WeakPolarHBondContact O-CB 3.35Å; T99-K103 VanDerWaalsContact O-CG 3.27Å; T99-K103 WeakPolarHBondContact O-CG 3.21Å; T99-K103 PolarHBondContact O-N 3.37Å; T99-K103 VanDerWaalsContact O-N 3.1Å; F100-K103 PolarHBondContact O-N 3.03Å; K103-V106 PolarHBondContact O-N 2.98Å; K103-I107 WeakPolarHBondContact O-CB 3.38Å; K103-I107 WeakPolarHBondContact O-CD1 3.14Å; K103-I107 WeakPolarHBondContact O-CG1 3.34Å; K103-I107 PolarHBondContact O-N 3Å |
| 104 | V | 89.6 | Confident | 85.2 | Confident | 67 Ų | 67 | 85.7 Ų | 85.7 | 41% | 0.406 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 177.1 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | F100 G101 F102 V106 I107 A108 | F100-V104 HydrophobicContact CD1-CG2 3.66Å; F100-V104 HydrophobicContact CD2-CG2 4.5Å; F100-V104 HydrophobicContact CE1-CG2 3.42Å; F100-V104 VanDerWaalsContact CE1-CG2 3.42Å; F100-V104 HydrophobicContact CE2-CG2 4.3Å; F100-V104 HydrophobicContact CG-CG2 4.2Å; F100-V104 HydrophobicContact CZ-CG2 3.77Å; F100-V104 WeakPolarHBondContact O-CB 3.22Å; F100-V104 WeakPolarHBondContact O-CG2 3.36Å; F100-V104 PolarHBondContact O-N 2.67Å; G101-V104 PolarHBondContact O-N 2.87Å; F102-V104 PolarHBondContact O-N 3.43Å; V104-V106 PolarHBondContact O-N 3.45Å; V104-I107 PolarHBondContact O-N 3.34Å; V104-A108 VanDerWaalsContact O-CB 3.26Å; V104-A108 WeakPolarHBondContact O-CB 3.26Å; V104-A108 PolarHBondContact O-N 2.92Å |
| 105 | A | 90.7 | Very high | 85.8 | Confident | 60 Ų | 60 | 88.2 Ų | 88.2 | 50% | 0.496 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | G101 F102 A108 S109 | G101-A105 WeakPolarHBondContact O-CB 3.38Å; G101-A105 PolarHBondContact O-N 3.19Å; F102-A105 PolarHBondContact O-N 2.78Å; A105-A108 PolarHBondContact O-N 3.49Å; A105-S109 WeakPolarHBondContact O-CB 3.34Å; A105-S109 PolarHBondContact O-N 3.43Å |
| 106 | V | 94.5 | Very high | 86.9 | Confident | 56 Ų | 56 | 89.5 Ų | 89.5 | 34% | 0.339 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 176.1 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | F102 K103 V104 A108 S109 I110 | F102-V106 HydrophobicContact CD1-CG2 4.26Å; F102-V106 HydrophobicContact CD2-CG2 4.26Å; F102-V106 HydrophobicContact CE1-CG2 3.87Å; F102-V106 HydrophobicContact CE2-CG2 3.86Å; F102-V106 HydrophobicContact CG-CG2 4.45Å; F102-V106 HydrophobicContact CZ-CG2 3.65Å; F102-V106 WeakPolarHBondContact O-CB 3.2Å; F102-V106 VanDerWaalsContact O-CG2 3.27Å; F102-V106 WeakPolarHBondContact O-CG2 3.43Å; F102-V106 PolarHBondContact O-N 2.97Å; K103-V106 PolarHBondContact O-N 2.98Å; V104-V106 PolarHBondContact O-N 3.45Å; V106-A108 PolarHBondContact O-N 3.13Å; V106-S109 PolarHBondContact O-N 3.39Å; V106-I110 HydrophobicContact CG1-CD1 3.79Å; V106-I110 HydrophobicContact CG1-CG1 4.5Å; V106-I110 VanDerWaalsContact O-CG1 3.27Å; V106-I110 WeakPolarHBondContact O-CG1 3.43Å; V106-I110 PolarHBondContact O-N 3.43Å |
| 107 | I | 94.8 | Very high | 88.3 | Confident | 106 Ų | 106 | 89.3 Ų | 89.3 | 54% | 0.544 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.2 | -46.3 | 178.1 | -68.1 | 164.6 | 0 | 0 | 0 | 110.6 | K103 V104 S109 I110 V111 | K103-I107 WeakPolarHBondContact O-CB 3.38Å; K103-I107 WeakPolarHBondContact O-CD1 3.14Å; K103-I107 WeakPolarHBondContact O-CG1 3.34Å; K103-I107 PolarHBondContact O-N 3Å; V104-I107 PolarHBondContact O-N 3.34Å; I107-S109 VanDerWaalsContact C-N 3.33Å; I107-S109 PolarHBondContact O-N 3.02Å; I107-I110 PolarHBondContact O-N 2.92Å; I107-V111 HydrophobicContact CG2-CG2 4.4Å; I107-V111 WeakPolarHBondContact O-CG2 3.38Å; I107-V111 PolarHBondContact O-N 3.28Å |
| 108 | A | 95.7 | Very high | 89.9 | Confident | 56 Ų | 56 | 88.4 Ų | 88.4 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.7 | -41.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | V104 A105 V106 V111 S112 | V104-A108 VanDerWaalsContact O-CB 3.26Å; V104-A108 WeakPolarHBondContact O-CB 3.26Å; V104-A108 PolarHBondContact O-N 2.92Å; A105-A108 PolarHBondContact O-N 3.49Å; V106-A108 PolarHBondContact O-N 3.13Å; A108-V111 PolarHBondContact O-N 3.43Å; A108-S112 WeakPolarHBondContact O-CB 3.27Å; A108-S112 PolarHBondContact O-N 2.97Å |
| 109 | S | 97.3 | Very high | 91.5 | Very high | 69 Ų | 69 | 86.8 Ų | 86.8 | 48% | 0.483 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.1 | -43 | 175.1 | -176.4 | 0 | 0 | 0 | 0 | 111.9 | A105 V106 I107 S112 C113 | A105-S109 WeakPolarHBondContact O-CB 3.34Å; A105-S109 PolarHBondContact O-N 3.43Å; V106-S109 PolarHBondContact O-N 3.39Å; I107-S109 VanDerWaalsContact C-N 3.33Å; I107-S109 PolarHBondContact O-N 3.02Å; S109-S112 PolarHBondContact O-N 3.49Å; S109-C113 WeakPolarHBondContact O-CB 3.17Å; S109-C113 PolarHBondContact O-N 3.46Å; S109-C113 PolarHBondContact O-SG 3.41Å |
| 110 | I | 97.3 | Very high | 93.1 | Very high | 107 Ų | 107 | 85.4 Ų | 85.4 | 55% | 0.549 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64 | -46.7 | 179.1 | -68.1 | 164.8 | 0 | 0 | 0 | 110.7 | V106 I107 S112 C113 A114 | V106-I110 HydrophobicContact CG1-CD1 3.79Å; V106-I110 HydrophobicContact CG1-CG1 4.5Å; V106-I110 VanDerWaalsContact O-CG1 3.27Å; V106-I110 WeakPolarHBondContact O-CG1 3.43Å; V106-I110 PolarHBondContact O-N 3.43Å; I107-I110 PolarHBondContact O-N 2.92Å; I110-S112 PolarHBondContact O-N 3.48Å; I110-C113 PolarHBondContact O-N 3.27Å; I110-A114 PolarHBondContact O-N 3.37Å |
| 111 | V | 97.6 | Very high | 94.3 | Very high | 81 Ų | 81 | 84 Ų | 84 | 49% | 0.491 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 179.8 | 175 | 0 | 0 | 0 | 0 | 110.9 | I107 A108 A114 I115 | I107-V111 HydrophobicContact CG2-CG2 4.4Å; I107-V111 WeakPolarHBondContact O-CG2 3.38Å; I107-V111 PolarHBondContact O-N 3.28Å; A108-V111 PolarHBondContact O-N 3.43Å; V111-A114 PolarHBondContact O-N 3Å; V111-I115 HydrophobicContact CG1-CD1 4.05Å; V111-I115 WeakPolarHBondContact O-CG1 3.27Å; V111-I115 PolarHBondContact O-N 3.44Å |
| 112 | S | 98.2 | Very high | 95.1 | Very high | 61 Ų | 61 | 84.3 Ų | 84.3 | 43% | 0.427 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.1 | -47 | 176.5 | -175.1 | 0 | 0 | 0 | 0 | 111.9 | A108 S109 I110 A114 I115 I116 | A108-S112 WeakPolarHBondContact O-CB 3.27Å; A108-S112 PolarHBondContact O-N 2.97Å; S109-S112 PolarHBondContact O-N 3.49Å; I110-S112 PolarHBondContact O-N 3.48Å; S112-A114 PolarHBondContact O-N 3.34Å; S112-I115 PolarHBondContact O-N 3.3Å; S112-I116 VanDerWaalsContact O-CG1 3.3Å; S112-I116 WeakPolarHBondContact O-CG1 3.5Å; S112-I116 PolarHBondContact O-N 2.92Å |
| 113 | C | 97.6 | Very high | 95.8 | Very high | 64 Ų | 64 | 84 Ų | 84 | 43% | 0.432 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.2 | -44.1 | 177.1 | -76.1 | 0 | 0 | 0 | 0 | 112.3 | S109 I110 I115 I116 L117 | S109-C113 WeakPolarHBondContact O-CB 3.17Å; S109-C113 PolarHBondContact O-N 3.46Å; S109-C113 PolarHBondContact O-SG 3.41Å; I110-C113 PolarHBondContact O-N 3.27Å; C113-I115 VanDerWaalsContact C-N 3.35Å; C113-I115 PolarHBondContact O-N 3.18Å; C113-I116 PolarHBondContact O-N 3.42Å; C113-L117 WeakPolarHBondContact O-CB 3.35Å; C113-L117 WeakPolarHBondContact O-CG 3.47Å; C113-L117 PolarHBondContact O-N 3.38Å |
| 114 | A | 98.1 | Very high | 96.2 | Very high | 49 Ų | 49 | 82.1 Ų | 82.1 | 41% | 0.405 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.5 | -45.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I110 V111 S112 L117 L118 | I110-A114 PolarHBondContact O-N 3.37Å; V111-A114 PolarHBondContact O-N 3Å; S112-A114 PolarHBondContact O-N 3.34Å; A114-L117 PolarHBondContact O-N 2.91Å; A114-L118 WeakPolarHBondContact O-CB 3.43Å; A114-L118 WeakPolarHBondContact O-CG 3.24Å; A114-L118 PolarHBondContact O-N 3.5Å |
| 115 | I | 97.9 | Very high | 96.5 | Very high | 98 Ų | 98 | 82.4 Ų | 82.4 | 50% | 0.503 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.3 | -46.9 | 179.4 | -63.9 | 166.2 | 0 | 0 | 0 | 111 | V111 S112 C113 L117 L118 M119 | V111-I115 HydrophobicContact CG1-CD1 4.05Å; V111-I115 WeakPolarHBondContact O-CG1 3.27Å; V111-I115 PolarHBondContact O-N 3.44Å; S112-I115 PolarHBondContact O-N 3.3Å; C113-I115 VanDerWaalsContact C-N 3.35Å; C113-I115 PolarHBondContact O-N 3.18Å; I115-L117 VanDerWaalsContact C-N 3.32Å; I115-L117 PolarHBondContact O-N 3.42Å; I115-L118 PolarHBondContact O-N 3.47Å; I115-M119 WeakPolarHBondContact O-CG 3.44Å; I115-M119 PolarHBondContact O-N 3.21Å |
| 116 | I | 97.9 | Very high | 96.6 | Very high | 105 Ų | 105 | 83.2 Ų | 83.2 | 54% | 0.538 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.8 | -44 | 179.3 | -65.9 | 164.9 | 0 | 0 | 0 | 110.6 | S112 C113 M119 S120 | S112-I116 VanDerWaalsContact O-CG1 3.3Å; S112-I116 WeakPolarHBondContact O-CG1 3.5Å; S112-I116 PolarHBondContact O-N 2.92Å; C113-I116 PolarHBondContact O-N 3.42Å; I116-M119 PolarHBondContact O-N 3.29Å; I116-S120 VanDerWaalsContact O-CB 3.25Å; I116-S120 WeakPolarHBondContact O-CB 3.4Å; I116-S120 PolarHBondContact O-N 2.91Å |
| 117 | L | 96.9 | Very high | 96.5 | Very high | 104 Ų | 104 | 84.1 Ų | 84.1 | 55% | 0.545 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 178.2 | -70.8 | 175.5 | 0 | 0 | 0 | 111.7 | C113 A114 I115 M119 S120 M121 | C113-L117 WeakPolarHBondContact O-CB 3.35Å; C113-L117 WeakPolarHBondContact O-CG 3.47Å; C113-L117 PolarHBondContact O-N 3.38Å; A114-L117 PolarHBondContact O-N 2.91Å; I115-L117 VanDerWaalsContact C-N 3.32Å; I115-L117 PolarHBondContact O-N 3.42Å; L117-M119 PolarHBondContact O-N 2.96Å; L117-S120 PolarHBondContact O-N 2.92Å; L117-M121 VanDerWaalsContact O-CB 3.22Å; L117-M121 WeakPolarHBondContact O-CB 3.37Å; L117-M121 WeakPolarHBondContact O-CG 3.27Å; L117-M121 PolarHBondContact O-N 3.43Å |
| 118 | L | 97.4 | Very high | 96.3 | Very high | 115 Ų | 115 | 84.2 Ų | 84.2 | 60% | 0.602 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -61.9 | -44.7 | 177 | -72.6 | 171.4 | 0 | 0 | 0 | 111.8 | A114 I115 A122 | A114-L118 WeakPolarHBondContact O-CB 3.43Å; A114-L118 WeakPolarHBondContact O-CG 3.24Å; A114-L118 PolarHBondContact O-N 3.5Å; I115-L118 PolarHBondContact O-N 3.47Å; L118-A122 WeakPolarHBondContact O-CB 3.18Å; L118-A122 PolarHBondContact O-N 2.98Å |
| 119 | M | 96.7 | Very high | 96 | Very high | 105 Ų | 105 | 87.1 Ų | 87.1 | 52% | 0.517 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.9 | -50.1 | 175.7 | -66.4 | -57.7 | 117.6 | 0 | 0 | 110.9 | I115 I116 L117 M121 A122 F123 | I115-M119 WeakPolarHBondContact O-CG 3.44Å; I115-M119 PolarHBondContact O-N 3.21Å; I116-M119 PolarHBondContact O-N 3.29Å; L117-M119 PolarHBondContact O-N 2.96Å; M119-M121 PolarHBondContact O-N 3.35Å; M119-A122 WeakPolarHBondContact O-CB 3.21Å; M119-A122 PolarHBondContact O-N 3.48Å; M119-F123 HydrophobicContact CB-CE2 4.18Å; M119-F123 WeakPolarHBondContact O-CD2 2.81Å; M119-F123 PolarHBondContact O-N 2.84Å |
| 120 | S | 97.9 | Very high | 95.7 | Very high | 49 Ų | 49 | 91.3 Ų | 91.3 | 34% | 0.343 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.8 | -45.3 | 178.5 | -178.1 | 0 | 0 | 0 | 0 | 112.7 | I116 L117 A122 F123 L124 | I116-S120 VanDerWaalsContact O-CB 3.25Å; I116-S120 WeakPolarHBondContact O-CB 3.4Å; I116-S120 PolarHBondContact O-N 2.91Å; L117-S120 PolarHBondContact O-N 2.92Å; S120-A122 VanDerWaalsContact C-N 3.34Å; S120-A122 PolarHBondContact O-N 3.45Å; S120-F123 PolarHBondContact O-N 3.31Å; S120-L124 WeakPolarHBondContact O-CB 3.49Å; S120-L124 WeakPolarHBondContact O-CG 3.38Å; S120-L124 PolarHBondContact O-N 3.48Å |
| 121 | M | 96.5 | Very high | 95.1 | Very high | 96 Ų | 96 | 90 Ų | 90 | 47% | 0.473 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.3 | -39.2 | 176.8 | -72.9 | -61.6 | 101.6 | 0 | 0 | 111.7 | L117 M119 L124 T125 | L117-M121 VanDerWaalsContact O-CB 3.22Å; L117-M121 WeakPolarHBondContact O-CB 3.37Å; L117-M121 WeakPolarHBondContact O-CG 3.27Å; L117-M121 PolarHBondContact O-N 3.43Å; M119-M121 PolarHBondContact O-N 3.35Å; M121-L124 HydrophobicContact CE-CD1 3.53Å; M121-T125 WeakPolarHBondContact O-CB 3.33Å; M121-T125 PolarHBondContact O-N 3.1Å; M121-T125 PolarHBondContact O-OG1 3.41Å |
| 122 | A | 96.8 | Very high | 94.8 | Very high | 49 Ų | 49 | 90.3 Ų | 90.3 | 41% | 0.405 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L118 M119 S120 T125 C126 | L118-A122 WeakPolarHBondContact O-CB 3.18Å; L118-A122 PolarHBondContact O-N 2.98Å; M119-A122 WeakPolarHBondContact O-CB 3.21Å; M119-A122 PolarHBondContact O-N 3.48Å; S120-A122 VanDerWaalsContact C-N 3.34Å; S120-A122 PolarHBondContact O-N 3.45Å; A122-T125 PolarHBondContact O-N 3.46Å; A122-C126 WeakPolarHBondContact O-CB 3.45Å; A122-C126 PolarHBondContact O-N 2.83Å; A122-C126 PolarHBondContact O-SG 3.35Å |
| 123 | F | 96.2 | Very high | 94.1 | Very high | 141 Ų | 141 | 94.9 Ų | 94.9 | 62% | 0.618 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.3 | -49.3 | 176.6 | -69.5 | -63.6 | 0 | 0 | 0 | 112.1 | M119 S120 T125 C126 C127 | M119-F123 HydrophobicContact CB-CE2 4.18Å; M119-F123 WeakPolarHBondContact O-CD2 2.81Å; M119-F123 PolarHBondContact O-N 2.84Å; S120-F123 PolarHBondContact O-N 3.31Å; F123-T125 VanDerWaalsContact C-N 3.34Å; F123-T125 PolarHBondContact O-N 3.23Å; F123-C126 PolarHBondContact O-N 3.05Å; F123-C127 WeakPolarHBondContact O-CB 3.25Å; F123-C127 PolarHBondContact O-N 3.28Å; F123-C127 PolarHBondContact O-SG 2.8Å |
| 124 | L | 94.3 | Very high | 93.6 | Very high | 87 Ų | 87 | 98.5 Ų | 98.5 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60 | -45.1 | 177.8 | -73.2 | 167.9 | 0 | 0 | 0 | 110.9 | S120 M121 C126 C127 L128 | S120-L124 WeakPolarHBondContact O-CB 3.49Å; S120-L124 WeakPolarHBondContact O-CG 3.38Å; S120-L124 PolarHBondContact O-N 3.48Å; M121-L124 HydrophobicContact CE-CD1 3.53Å; L124-C126 PolarHBondContact O-N 3.29Å; L124-C127 WeakPolarHBondContact O-CB 3.17Å; L124-C127 PolarHBondContact O-N 2.93Å; L124-L128 WeakPolarHBondContact O-CB 3.49Å; L124-L128 WeakPolarHBondContact O-CG 3.05Å; L124-L128 PolarHBondContact O-N 2.86Å |
| 125 | T | 96 | Very high | 92.7 | Very high | 72 Ų | 72 | 99.4 Ų | 99.4 | 44% | 0.442 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 176.8 | -57.9 | 0 | 0 | 0 | 0 | 111.3 | M121 A122 F123 C127 L128 L129 | M121-T125 WeakPolarHBondContact O-CB 3.33Å; M121-T125 PolarHBondContact O-N 3.1Å; M121-T125 PolarHBondContact O-OG1 3.41Å; A122-T125 PolarHBondContact O-N 3.46Å; F123-T125 VanDerWaalsContact C-N 3.34Å; F123-T125 PolarHBondContact O-N 3.23Å; T125-C127 PolarHBondContact O-N 2.85Å; T125-L128 PolarHBondContact O-N 2.74Å; T125-L129 HydrophobicContact CG2-CD1 3.97Å; T125-L129 HydrophobicContact CG2-CG 4.26Å; T125-L129 WeakPolarHBondContact O-CB 3.44Å; T125-L129 VanDerWaalsContact O-CG 3.25Å; T125-L129 WeakPolarHBondContact O-CG 3.37Å; T125-L129 PolarHBondContact O-N 2.86Å |
| 126 | C | 93.2 | Very high | 92.1 | Very high | 78 Ų | 78 | 102.3 Ų | 102.3 | 53% | 0.527 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.6 | -45.7 | 175.5 | -72.8 | 0 | 0 | 0 | 0 | 112.2 | A122 F123 L124 K130 | A122-C126 WeakPolarHBondContact O-CB 3.45Å; A122-C126 PolarHBondContact O-N 2.83Å; A122-C126 PolarHBondContact O-SG 3.35Å; F123-C126 PolarHBondContact O-N 3.05Å; L124-C126 PolarHBondContact O-N 3.29Å; C126-K130 WeakPolarHBondContact O-CB 3.09Å; C126-K130 VanDerWaalsContact O-CG 3.22Å; C126-K130 WeakPolarHBondContact O-CG 3.2Å; C126-K130 PolarHBondContact O-N 2.85Å |
| 127 | C | 93.2 | Very high | 91.2 | Very high | 74 Ų | 74 | 107.2 Ų | 107.2 | 50% | 0.5 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -60.7 | -47.4 | 176.1 | -73.3 | 0 | 0 | 0 | 0 | 111.2 | F123 L124 T125 K130 C131 | F123-C127 WeakPolarHBondContact O-CB 3.25Å; F123-C127 PolarHBondContact O-N 3.28Å; F123-C127 PolarHBondContact O-SG 2.8Å; L124-C127 WeakPolarHBondContact O-CB 3.17Å; L124-C127 PolarHBondContact O-N 2.93Å; T125-C127 PolarHBondContact O-N 2.85Å; C127-K130 WeakPolarHBondContact O-CB 3.45Å; C127-K130 PolarHBondContact O-N 2.92Å; C127-C131 WeakPolarHBondContact O-CB 2.75Å; C127-C131 PolarHBondContact O-N 2.88Å; C127-C131 PolarHBondContact O-SG 3.4Å |
| 128 | L | 90.4 | Very high | 90.1 | Very high | 109 Ų | 109 | 110.2 Ų | 110.2 | 57% | 0.571 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -65.2 | -43.5 | -179.6 | -69.5 | 174.2 | 0 | 0 | 0 | 111.7 | L124 T125 K130 C131 V132 | L124-L128 WeakPolarHBondContact O-CB 3.49Å; L124-L128 WeakPolarHBondContact O-CG 3.05Å; L124-L128 PolarHBondContact O-N 2.86Å; T125-L128 PolarHBondContact O-N 2.74Å; L128-K130 VanDerWaalsContact C-N 3.32Å; L128-K130 PolarHBondContact O-N 3.33Å; L128-C131 PolarHBondContact O-N 2.96Å; L128-V132 WeakPolarHBondContact O-CB 3.34Å; L128-V132 VanDerWaalsContact O-CG2 3.29Å; L128-V132 WeakPolarHBondContact O-CG2 2.92Å; L128-V132 PolarHBondContact O-N 2.82Å |
| 129 | L | 89.5 | Confident | 89 | Confident | 116 Ų | 116 | 114.3 Ų | 114.3 | 61% | 0.607 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.8 | -40.3 | 175.1 | -71.4 | 174.7 | 0 | 0 | 0 | 111.7 | T125 K133 | T125-L129 HydrophobicContact CG2-CD1 3.97Å; T125-L129 HydrophobicContact CG2-CG 4.26Å; T125-L129 WeakPolarHBondContact O-CB 3.44Å; T125-L129 VanDerWaalsContact O-CG 3.25Å; T125-L129 WeakPolarHBondContact O-CG 3.37Å; T125-L129 PolarHBondContact O-N 2.86Å; L129-K133 VanDerWaalsContact O-CB 3.23Å; L129-K133 WeakPolarHBondContact O-CB 3.15Å; L129-K133 PolarHBondContact O-N 3.41Å |
| 130 | K | 90.6 | Very high | 87.8 | Confident | 157 Ų | 157 | 112.7 Ų | 112.7 | 68% | 0.683 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.2 | -43.5 | 173.6 | -74.3 | -94.3 | -177.1 | 139.5 | 0 | 111.5 | C126 C127 L128 K133 K134 | C126-K130 WeakPolarHBondContact O-CB 3.09Å; C126-K130 VanDerWaalsContact O-CG 3.22Å; C126-K130 WeakPolarHBondContact O-CG 3.2Å; C126-K130 PolarHBondContact O-N 2.85Å; C127-K130 WeakPolarHBondContact O-CB 3.45Å; C127-K130 PolarHBondContact O-N 2.92Å; L128-K130 VanDerWaalsContact C-N 3.32Å; L128-K130 PolarHBondContact O-N 3.33Å; K130-K133 PolarHBondContact O-N 2.73Å; K130-K134 VanDerWaalsContact O-CB 3.29Å; K130-K134 WeakPolarHBondContact O-CB 3.5Å; K130-K134 PolarHBondContact O-N 3.13Å |
| 131 | C | 84.9 | Confident | 86.4 | Confident | 79 Ų | 79 | 115.7 Ų | 115.7 | 53% | 0.534 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.4 | -47 | 177.3 | -73.6 | 0 | 0 | 0 | 0 | 112 | C127 L128 K134 S135 | C127-C131 WeakPolarHBondContact O-CB 2.75Å; C127-C131 PolarHBondContact O-N 2.88Å; C127-C131 PolarHBondContact O-SG 3.4Å; L128-C131 PolarHBondContact O-N 2.96Å; C131-K134 PolarHBondContact O-N 3.5Å; C131-S135 WeakPolarHBondContact O-CB 3.38Å; C131-S135 PolarHBondContact O-N 3.04Å; C131-S135 PolarHBondContact O-OG 2.97Å |
| 132 | V | 90.4 | Very high | 85.1 | Confident | 88 Ų | 88 | 120.8 Ų | 120.8 | 53% | 0.533 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66 | -40.3 | 177.8 | 173.5 | 0 | 0 | 0 | 0 | 111 | L128 K134 S135 K136 | L128-V132 WeakPolarHBondContact O-CB 3.34Å; L128-V132 VanDerWaalsContact O-CG2 3.29Å; L128-V132 WeakPolarHBondContact O-CG2 2.92Å; L128-V132 PolarHBondContact O-N 2.82Å; V132-K134 PolarHBondContact O-N 3.24Å; V132-S135 WeakPolarHBondContact CA-OG 3.33Å; V132-S135 PolarHBondContact O-N 3.42Å; V132-S135 PolarHBondContact O-OG 3.14Å; V132-K136 VanDerWaalsContact O-CB 3.26Å; V132-K136 WeakPolarHBondContact O-CB 3.32Å; V132-K136 PolarHBondContact O-N 3.09Å |
| 133 | K | 84.9 | Confident | 83.5 | Confident | 157 Ų | 157 | 123.4 Ų | 123.4 | 68% | 0.683 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.6 | -39.6 | 175.8 | -170.7 | 159.1 | 74.3 | 166.1 | 0 | 111.8 | L129 K130 R137 | L129-K133 VanDerWaalsContact O-CB 3.23Å; L129-K133 WeakPolarHBondContact O-CB 3.15Å; L129-K133 PolarHBondContact O-N 3.41Å; K130-K133 PolarHBondContact O-N 2.73Å; K133-R137 WeakPolarHBondContact O-CB 3.4Å; K133-R137 PolarHBondContact O-N 2.9Å |
| 134 | K | 86.1 | Confident | 82 | Confident | 140 Ų | 140 | 123 Ų | 123 | 61% | 0.609 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -66.2 | -42.8 | 175.2 | -175.4 | 175.1 | 179.9 | 177 | 0 | 111.6 | K130 C131 V132 R137 R138 | K130-K134 VanDerWaalsContact O-CB 3.29Å; K130-K134 WeakPolarHBondContact O-CB 3.5Å; K130-K134 PolarHBondContact O-N 3.13Å; C131-K134 PolarHBondContact O-N 3.5Å; V132-K134 PolarHBondContact O-N 3.24Å; K134-R137 PolarHBondContact O-N 2.04Å; K134-R138 VanDerWaalsContact O-CG 3.27Å; K134-R138 WeakPolarHBondContact O-CG 3.16Å; K134-R138 PolarHBondContact O-N 2.92Å |
| 135 | S | 79.8 | Confident | 80.4 | Confident | 69 Ų | 69 | 120.5 Ų | 120.5 | 48% | 0.483 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.1 | -38.8 | 177.2 | 73.2 | 0 | 0 | 0 | 0 | 111.7 | C131 V132 R138 R139 | C131-S135 WeakPolarHBondContact O-CB 3.38Å; C131-S135 PolarHBondContact O-N 3.04Å; C131-S135 PolarHBondContact O-OG 2.97Å; V132-S135 WeakPolarHBondContact CA-OG 3.33Å; V132-S135 PolarHBondContact O-N 3.42Å; V132-S135 PolarHBondContact O-OG 3.14Å; S135-R138 CarbonylContact O-C 3.55Å; S135-R138 WeakPolarHBondContact O-CB 3.26Å; S135-R138 PolarHBondContact O-N 3.38Å; S135-R139 WeakPolarHBondContact O-CB 3Å; S135-R139 PolarHBondContact O-N 2.02Å |
| 136 | K | 84.2 | Confident | 78.7 | Confident | 158 Ų | 158 | 121.9 Ų | 121.9 | 69% | 0.687 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.3 | -41.3 | 174.3 | -166.3 | 169.6 | -177 | 169 | 0 | 111.7 | V132 R139 S140 | V132-K136 VanDerWaalsContact O-CB 3.26Å; V132-K136 WeakPolarHBondContact O-CB 3.32Å; V132-K136 PolarHBondContact O-N 3.09Å; K136-R139 PolarHBondContact O-N 2.85Å; K136-S140 WeakPolarHBondContact O-CB 3.42Å; K136-S140 PolarHBondContact O-N 3.04Å |
| 137 | R | 78.4 | Confident | 77 | Confident | 208 Ų | 208 | 121.4 Ų | 121.4 | 79% | 0.785 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.8 | -40.8 | 172.6 | -167.8 | 172.5 | -176.2 | -176.7 | 1.1 | 112.2 | K133 K134 R139 N141 | K133-R137 WeakPolarHBondContact O-CB 3.4Å; K133-R137 PolarHBondContact O-N 2.9Å; K134-R137 PolarHBondContact O-N 2.04Å; R137-R139 VanDerWaalsContact C-N 3.33Å; R137-N141 WeakPolarHBondContact O-CB 3.37Å; R137-N141 PolarHBondContact O-N 2.86Å |
| 138 | R | 74.8 | Confident | 75.5 | Confident | 168 Ų | 168 | 122.3 Ų | 122.3 | 63% | 0.634 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.2 | -37.7 | 173.1 | -71.2 | -83.4 | -169.7 | -118.5 | 4.3 | 112 | K134 S135 R142 | K134-R138 VanDerWaalsContact O-CG 3.27Å; K134-R138 WeakPolarHBondContact O-CG 3.16Å; K134-R138 PolarHBondContact O-N 2.92Å; S135-R138 CarbonylContact O-C 3.55Å; S135-R138 WeakPolarHBondContact O-CB 3.26Å; S135-R138 PolarHBondContact O-N 3.38Å; R138-R142 WeakPolarHBondContact O-CG 3.47Å; R138-R142 PolarHBondContact O-N 3.23Å; R138-R142 VanDerWaalsContact O-N 3.16Å |
| 139 | R | 74.3 | Confident | 74 | Confident | 201 Ų | 201 | 120.2 Ų | 120.2 | 76% | 0.758 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70.3 | -45.4 | 178.6 | -155.5 | 176.2 | -146 | -174.4 | 5.8 | 111.8 | S135 K136 R137 N141 R142 D143 | S135-R139 WeakPolarHBondContact O-CB 3Å; S135-R139 PolarHBondContact O-N 2.02Å; K136-R139 PolarHBondContact O-N 2.85Å; R137-R139 VanDerWaalsContact C-N 3.33Å; R139-N141 VanDerWaalsContact C-N 3.35Å; R139-N141 PolarHBondContact O-N 2.88Å; R139-R142 WeakPolarHBondContact O-CB 3.12Å; R139-R142 PolarHBondContact O-N 3.44Å; R139-D143 PolarHBondContact O-N 2.81Å; R139-D143 VanDerWaalsContact O-N 3.08Å |
| 140 | S | 71.2 | Confident | 72.4 | Confident | 70 Ų | 70 | 120.1 Ų | 120.1 | 49% | 0.49 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.9 | -38.9 | 174.7 | 168.4 | 0 | 0 | 0 | 0 | 112.7 | K136 R142 D143 H144 | K136-S140 WeakPolarHBondContact O-CB 3.42Å; K136-S140 PolarHBondContact O-N 3.04Å; S140-R142 VanDerWaalsContact C-N 3.33Å; S140-R142 PolarHBondContact O-N 3.03Å; S140-D143 WeakPolarHBondContact O-CB 3.37Å; S140-D143 PolarHBondContact O-N 2.81Å; S140-H144 PolarHBondContact O-N 2.79Å |
| 141 | N | 68.7 | Low | 71 | Confident | 112 Ų | 112 | 118.5 Ų | 118.5 | 60% | 0.599 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.2 | -32.8 | 174.9 | -168.8 | 56.3 | 0 | 0 | 0 | 113 | R137 R139 G145 | R137-N141 WeakPolarHBondContact O-CB 3.37Å; R137-N141 PolarHBondContact O-N 2.86Å; R139-N141 VanDerWaalsContact C-N 3.35Å; R139-N141 PolarHBondContact O-N 2.88Å; N141-G145 PolarHBondContact O-N 2.85Å |
| 142 | R | 68.9 | Low | 69.5 | Low | 204 Ų | 204 | 117.2 Ų | 117.2 | 77% | 0.77 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.3 | -38.2 | 173.3 | -79.7 | 177.7 | 137.4 | 164.3 | -5.3 | 111.6 | R138 R139 S140 G145 E146 | R138-R142 WeakPolarHBondContact O-CG 3.47Å; R138-R142 PolarHBondContact O-N 3.23Å; R138-R142 VanDerWaalsContact O-N 3.16Å; R139-R142 WeakPolarHBondContact O-CB 3.12Å; R139-R142 PolarHBondContact O-N 3.44Å; S140-R142 VanDerWaalsContact C-N 3.33Å; S140-R142 PolarHBondContact O-N 3.03Å; R142-G145 PolarHBondContact O-N 2.85Å; R142-E146 WeakPolarHBondContact O-CB 3.48Å; R142-E146 PolarHBondContact O-N 2.94Å |
| 143 | D | 63.8 | Low | 67.8 | Low | 103 Ų | 103 | 116.2 Ų | 116.2 | 55% | 0.551 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67 | -42.1 | 177.2 | -139.6 | -39.4 | 0 | 0 | 0 | 112.5 | R139 S140 E146 S147 | R139-D143 PolarHBondContact O-N 2.81Å; R139-D143 VanDerWaalsContact O-N 3.08Å; S140-D143 WeakPolarHBondContact O-CB 3.37Å; S140-D143 PolarHBondContact O-N 2.81Å; D143-E146 PolarHBondContact O-N 3.16Å; D143-S147 PolarHBondContact O-N 2.8Å; D143-S147 PolarHBondContact O-OG 2.82Å |
| 144 | H | 65 | Low | 66.4 | Low | 132 Ų | 132 | 113.7 Ų | 113.7 | 61% | 0.611 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.4 | -36.4 | 172.4 | -90.3 | 15.2 | 0 | 0 | 0 | 113.7 | S140 E146 S147 T148 | S140-H144 PolarHBondContact O-N 2.79Å; H144-E146 VanDerWaalsContact C-N 3.29Å; H144-S147 PolarHBondContact O-N 3.39Å; H144-T148 PolarHBondContact O-N 2.8Å; H144-T148 PolarHBondContact O-OG1 2.79Å |
| 145 | G | 60.3 | Low | 64.9 | Low | 36 Ų | 36 | 112.5 Ų | 112.5 | 37% | 0.371 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.7 | -35.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | N141 R142 T148 S149 | N141-G145 PolarHBondContact O-N 2.85Å; R142-G145 PolarHBondContact O-N 2.85Å; G145-T148 WeakPolarHBondContact CA-OG1 3.41Å; G145-T148 PolarHBondContact O-OG1 2.84Å; G145-T148 VanDerWaalsContact O-OG1 3.1Å; G145-S149 VanDerWaalsContact O-CB 3.28Å; G145-S149 WeakPolarHBondContact O-CB 3.09Å; G145-S149 PolarHBondContact O-N 3.24Å; G145-S149 PolarHBondContact O-OG 3.32Å |
| 146 | E | 59.5 | Low | 63.5 | Low | 101 Ų | 101 | 119.4 Ų | 119.4 | 47% | 0.472 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -71.7 | -43.1 | 175.6 | -164.9 | 177.3 | 132.3 | 0 | 0 | 111.7 | R142 D143 H144 T148 S149 K150 | R142-E146 WeakPolarHBondContact O-CB 3.48Å; R142-E146 PolarHBondContact O-N 2.94Å; D143-E146 PolarHBondContact O-N 3.16Å; H144-E146 VanDerWaalsContact C-N 3.29Å; E146-T148 PolarHBondContact O-N 3.06Å; E146-S149 WeakPolarHBondContact CA-OG 3.35Å; E146-S149 PolarHBondContact O-N 2.9Å; E146-S149 PolarHBondContact O-OG 3.5Å; E146-K150 HydrophobicContact CG-CD 4.5Å; E146-K150 WeakPolarHBondContact O-CG 3.32Å; E146-K150 PolarHBondContact O-N 2.74Å; E146-K150 WeakPolarHBondContact OE1-CE 3.06Å; E146-K150 IonicContact OE1-NZ 2.66Å; E146-K150 PolarHBondContact OE1-NZ 2.85Å |
| 147 | S | 58.8 | Low | 61.7 | Low | 68 Ų | 68 | 116.6 Ų | 116.6 | 48% | 0.476 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.1 | -39.2 | 176.2 | -72.7 | 0 | 0 | 0 | 0 | 113.3 | D143 H144 L151 | D143-S147 PolarHBondContact O-N 2.8Å; D143-S147 PolarHBondContact O-OG 2.82Å; H144-S147 PolarHBondContact O-N 3.39Å; S147-L151 PolarHBondContact O-N 2.84Å; S147-L151 VanDerWaalsContact O-N 3.15Å |
| 148 | T | 60.6 | Low | 60.6 | Low | 92 Ų | 92 | 113 Ų | 113 | 56% | 0.564 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -71.8 | -35.8 | 174.5 | 47.1 | 0 | 0 | 0 | 0 | 112.5 | H144 G145 E146 L151 A152 | H144-T148 PolarHBondContact O-N 2.8Å; H144-T148 PolarHBondContact O-OG1 2.79Å; G145-T148 WeakPolarHBondContact CA-OG1 3.41Å; G145-T148 PolarHBondContact O-OG1 2.84Å; G145-T148 VanDerWaalsContact O-OG1 3.1Å; E146-T148 PolarHBondContact O-N 3.06Å; T148-L151 PolarHBondContact O-N 3.37Å; T148-A152 WeakPolarHBondContact O-CB 3.19Å; T148-A152 PolarHBondContact O-N 3.27Å |
| 149 | S | 59.1 | Low | 59.2 | Low | 65 Ų | 65 | 112.7 Ų | 112.7 | 46% | 0.455 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.3 | -34.8 | 173.4 | 74.1 | 0 | 0 | 0 | 0 | 113.5 | G145 E146 A152 S153 | G145-S149 VanDerWaalsContact O-CB 3.28Å; G145-S149 WeakPolarHBondContact O-CB 3.09Å; G145-S149 PolarHBondContact O-N 3.24Å; G145-S149 PolarHBondContact O-OG 3.32Å; E146-S149 WeakPolarHBondContact CA-OG 3.35Å; E146-S149 PolarHBondContact O-N 2.9Å; E146-S149 PolarHBondContact O-OG 3.5Å; S149-A152 PolarHBondContact O-N 3.49Å; S149-S153 PolarHBondContact O-N 2.78Å; S149-S153 PolarHBondContact O-OG 3.42Å |
| 150 | K | 57.2 | Low | 57.5 | Low | 114 Ų | 114 | 112.2 Ų | 112.2 | 50% | 0.496 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.5 | -42.3 | 172.3 | -75 | 174.2 | -177.5 | 161.2 | 0 | 110.9 | E146 A152 S153 V154 | E146-K150 HydrophobicContact CG-CD 4.5Å; E146-K150 WeakPolarHBondContact O-CG 3.32Å; E146-K150 PolarHBondContact O-N 2.74Å; E146-K150 WeakPolarHBondContact OE1-CE 3.06Å; E146-K150 IonicContact OE1-NZ 2.66Å; E146-K150 PolarHBondContact OE1-NZ 2.85Å; K150-A152 PolarHBondContact O-N 2.7Å; K150-S153 WeakPolarHBondContact CA-OG 3.32Å; K150-S153 PolarHBondContact O-N 2.86Å; K150-S153 PolarHBondContact O-OG 3.25Å; K150-V154 WeakPolarHBondContact O-CG2 3.19Å; K150-V154 PolarHBondContact O-N 2.82Å; K150-V154 VanDerWaalsContact O-N 3.07Å |
| 151 | L | 59.9 | Low | 55.8 | Low | 123 Ų | 123 | 116 Ų | 116 | 64% | 0.644 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.4 | -38.8 | 174.9 | -164.6 | 68.2 | 0 | 0 | 0 | 112.6 | S147 T148 S153 V154 T155 | S147-L151 PolarHBondContact O-N 2.84Å; S147-L151 VanDerWaalsContact O-N 3.15Å; T148-L151 PolarHBondContact O-N 3.37Å; L151-S153 VanDerWaalsContact C-N 3.35Å; L151-V154 PolarHBondContact O-N 3.33Å; L151-T155 PolarHBondContact O-N 2.87Å; L151-T155 PolarHBondContact O-OG1 2.73Å |
| 152 | A | 54.8 | Low | 55.4 | Low | 52 Ų | 52 | 116.4 Ų | 116.4 | 43% | 0.43 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -71.6 | -23.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | T148 S149 K150 T155 | T148-A152 WeakPolarHBondContact O-CB 3.19Å; T148-A152 PolarHBondContact O-N 3.27Å; S149-A152 PolarHBondContact O-N 3.49Å; K150-A152 PolarHBondContact O-N 2.7Å; A152-T155 WeakPolarHBondContact CA-OG1 3.29Å |
| 153 | S | 53.8 | Low | 53.7 | Low | 68 Ų | 68 | 109.9 Ų | 109.9 | 48% | 0.476 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -79 | -31 | 171 | 67.1 | 0 | 0 | 0 | 0 | 113 | S149 K150 L151 R156 | S149-S153 PolarHBondContact O-N 2.78Å; S149-S153 PolarHBondContact O-OG 3.42Å; K150-S153 WeakPolarHBondContact CA-OG 3.32Å; K150-S153 PolarHBondContact O-N 2.86Å; K150-S153 PolarHBondContact O-OG 3.25Å; L151-S153 VanDerWaalsContact C-N 3.35Å; S153-R156 PolarHBondContact O-N 2.86Å |
| 154 | V | 55.1 | Low | 52.1 | Low | 104 Ų | 104 | 113.3 Ų | 113.3 | 63% | 0.63 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -72.4 | -30.7 | 176.3 | 166.5 | 0 | 0 | 0 | 0 | 111.9 | K150 L151 R156 | K150-V154 WeakPolarHBondContact O-CG2 3.19Å; K150-V154 PolarHBondContact O-N 2.82Å; K150-V154 VanDerWaalsContact O-N 3.07Å; L151-V154 PolarHBondContact O-N 3.33Å; V154-R156 VanDerWaalsContact C-N 3.25Å; V154-R156 PolarHBondContact O-N 2.85Å |
| 155 | T | 54.8 | Low | 51.1 | Low | 114 Ų | 114 | 112 Ų | 112 | 70% | 0.699 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.2 | -1.5 | 177.7 | 17.8 | 0 | 0 | 0 | 0 | 114.5 | L151 A152 | L151-T155 PolarHBondContact O-N 2.87Å; L151-T155 PolarHBondContact O-OG1 2.73Å; A152-T155 WeakPolarHBondContact CA-OG1 3.29Å |
| 156 | R | 49.8 | Very low | 50.2 | Low | 214 Ų | 214 | 121.5 Ų | 121.5 | 81% | 0.808 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | 11.2 | 177.3 | -95.3 | -165 | -74.6 | 140.6 | -6.9 | 115.2 | S153 V154 | S153-R156 PolarHBondContact O-N 2.86Å; V154-R156 VanDerWaalsContact C-N 3.25Å; V154-R156 PolarHBondContact O-N 2.85Å |
| 157 | S | 47 | Very low | 48.8 | Very low | 100 Ų | 100 | 121 Ų | 121 | 70% | 0.699 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -104.7 | 12.8 | -177.3 | 105.1 | 0 | 0 | 0 | 0 | 116.4 | ||
| 158 | V | 54.8 | Low | 47.6 | Very low | 133 Ų | 133 | 125 Ų | 125 | 81% | 0.806 | 70% | 0.699 | S | S | * | * | trans | -133.5 | 84.1 | 171.9 | -173.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 159 | D | 45.3 | Very low | 46.3 | Very low | 160 Ų | 160 | 125.1 Ų | 125.1 | 86% | 0.856 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -166.6 | 165.7 | 131.4 | -154.9 | -101.7 | 0 | 0 | 0 | 110.4 | ||
| 160 | K | 38.3 | Very low | 45 | Very low | 191 Ų | 191 | 129 Ų | 129 | 83% | 0.83 | 72% | 0.719 | S | S | * | * | trans | -99.8 | 143 | -137.9 | -167.9 | 159.2 | 170.1 | 170.9 | 0 | 113.3 | ||||
| 161 | D | 36.9 | Very low | 43.8 | Very low | 150 Ų | 150 | 129 Ų | 129 | 80% | 0.802 | 73% | 0.732 | S | S | * | * | trans | -58.7 | 172.7 | 172.6 | -106.1 | -58.3 | 0 | 0 | 0 | 114.1 | ||||
| 162 | P | 59 | Low | 42.5 | Very low | 120 Ų | 120 | 126.1 Ų | 126.1 | 78% | 0.779 | 73% | 0.733 | S | S | * | * | cis | -137.2 | 164.8 | -7.9 | 33.6 | -13.5 | 0 | 0 | 0 | 115.2 | ||||
| 163 | G | 33.2 | Very low | 41.4 | Very low | 68 Ų | 68 | 129.8 Ų | 129.8 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | trans | 168.1 | 85.4 | 163 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 164 | I | 31.7 | Very low | 40.5 | Very low | 174 Ų | 174 | 131.2 Ų | 131.2 | 89% | 0.892 | 77% | 0.765 | S | S | * | * | trans | 62.9 | 141.8 | 135 | -59.5 | -175.4 | 0 | 0 | 0 | 119.8 | ||||
| 165 | P | 43.6 | Very low | 39.8 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | -115.2 | 161.8 | -128.5 | 41.1 | -33.7 | 0 | 0 | 0 | 117.3 | |||||
| 166 | R | 40.7 | Very low | 39.5 | Very low | 236 Ų | 236 | 130.5 Ų | 130.5 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | trans | 36.8 | 126.8 | 141.6 | -69 | -170.9 | 153.2 | 92.5 | 2.2 | 120.1 | ||||
| 167 | A | 30.8 | Very low | 39.1 | Very low | 90 Ų | 90 | 126.5 Ų | 126.5 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | -157.1 | 105.9 | 124.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 168 | L | 33.3 | Very low | 38.7 | Very low | 152 Ų | 152 | 129.2 Ų | 129.2 | 80% | 0.796 | 77% | 0.773 | S | S | * | * | 69.4 | 97.5 | 99.5 | -68.4 | 171.3 | 0 | 0 | 0 | 112.7 | |||||
| 169 | S | 33.8 | Very low | 38.3 | Very low | 96 Ų | 96 | 127.6 Ų | 127.6 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | 93.4 | 153.1 | 108.4 | -59.2 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 170 | L | 31.3 | Very low | 38.3 | Very low | 147 Ų | 147 | 127.8 Ų | 127.8 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | cis | -169.4 | 158.5 | 30.9 | -148.5 | 106.8 | 0 | 0 | 0 | 107 | ||||
| 171 | S | 31.8 | Very low | 38.9 | Very low | 112 Ų | 112 | 124.7 Ų | 124.7 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | 64.1 | 135.5 | 152.1 | 48.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 172 | G | 33 | Very low | 39.5 | Very low | 64 Ų | 64 | 125.3 Ų | 125.3 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | cis | 149.5 | 156.4 | 17.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 173 | S | 31.6 | Very low | 38.9 | Very low | 128 Ų | 128 | 125 Ų | 125 | 90% | 0.895 | 76% | 0.762 | S | S | * | * | trans | 41 | 142.2 | 141 | -66.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 174 | S | 34.5 | Very low | 39.4 | Very low | 98 Ų | 98 | 129.8 Ų | 129.8 | 69% | 0.685 | 77% | 0.766 | S | S | * | * | cis | 172.5 | 151.9 | 14.4 | 165.8 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 175 | S | 40.3 | Very low | 40.1 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 71% | 0.713 | 77% | 0.765 | S | S | * | * | trans | 57.8 | 121.1 | 145.1 | 61.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 176 | S | 48.3 | Very low | 39.9 | Very low | 102 Ų | 102 | 129.7 Ų | 129.7 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | 80.8 | 132.3 | 127.4 | -158.7 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 177 | P | 41.8 | Very low | 39.7 | Very low | 130 Ų | 130 | 124.9 Ų | 124.9 | 84% | 0.844 | 76% | 0.764 | S | S | * | * | trans | -118.3 | 135.5 | 130 | 0.6 | 20.1 | 0 | 0 | 0 | 112.1 | ||||
| 178 | Q | 38.5 | Very low | 40.7 | Very low | 156 Ų | 156 | 125.8 Ų | 125.8 | 73% | 0.729 | 76% | 0.762 | S | S | * | * | trans | -52.4 | 144.2 | 178 | -74.1 | 160.1 | -30.2 | 0 | 0 | 113.9 | ||||
| 179 | A | 45.7 | Very low | 40.9 | Very low | 99 Ų | 99 | 129.4 Ų | 129.4 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | trans | -64.5 | 124.4 | 150.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 180 | Q | 46.8 | Very low | 41.4 | Very low | 165 Ų | 165 | 133.6 Ų | 133.6 | 77% | 0.771 | 78% | 0.775 | S | S | * | * | trans | -132 | 114.3 | 154.2 | -63.4 | -151.8 | 32.5 | 0 | 0 | 109.1 | ||||
| 181 | V | 49.8 | Very low | 42.2 | Very low | 126 Ų | 126 | 132 Ų | 132 | 76% | 0.764 | 77% | 0.773 | S | S | * | * | trans | -63.3 | 135.7 | 170.9 | 163.9 | 0 | 0 | 0 | 0 | 109 | V183 | V181-V183 HydrophobicContact CG1-CG2 3.71Š| ||
| 182 | M | 49.9 | Very low | 42.6 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 80% | 0.803 | 78% | 0.777 | S | S | * | * | trans | -131.6 | 103.4 | 157.2 | -148.2 | -175.9 | -65 | 0 | 0 | 108.7 | H184 | M182-H184 PolarHBondContact O-N 3.22Š| ||
| 183 | V | 46.6 | Very low | 43.3 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 69% | 0.685 | 78% | 0.784 | S | S | * | * | trans | -77.8 | 111.2 | 169.2 | -175.9 | 0 | 0 | 0 | 0 | 106.5 | V181 M185 | V181-V183 HydrophobicContact CG1-CG2 3.71Å; V183-M185 PolarHBondContact O-N 3.17Å | ||
| 184 | H | 43.6 | Very low | 43.6 | Very low | 168 Ų | 168 | 136 Ų | 136 | 78% | 0.778 | 78% | 0.779 | S | S | * | * | trans | -76.4 | 102.8 | 162.2 | -96.5 | -101.8 | 0 | 0 | 0 | 108.3 | M182 A186 | M182-H184 PolarHBondContact O-N 3.22Å; H184-A186 PolarHBondContact O-N 3.42Å | ||
| 185 | M | 46.5 | Very low | 43.8 | Very low | 176 Ų | 176 | 137.3 Ų | 137.3 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | -64.3 | 116.8 | 161.9 | -88.1 | -166.9 | 175.4 | 0 | 0 | 109.1 | V183 | V183-M185 PolarHBondContact O-N 3.17Š| ||
| 186 | A | 40.5 | Very low | 43.8 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | trans | -82.6 | 112.8 | 157.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | H184 | H184-A186 PolarHBondContact O-N 3.42Š| ||
| 187 | N | 36 | Very low | 43.4 | Very low | 134 Ų | 134 | 138.9 Ų | 138.9 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | trans | -72.1 | 134.8 | 178.7 | -177.4 | 15.6 | 0 | 0 | 0 | 111.1 | ||||
| 188 | P | 50.4 | Low | 43.6 | Very low | 110 Ų | 110 | 137 Ų | 137 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | trans | -87.6 | 117 | 177.2 | 32.2 | -32 | 0 | 0 | 0 | 111.6 | ||||
| 189 | R | 38.5 | Very low | 43.8 | Very low | 227 Ų | 227 | 136.4 Ų | 136.4 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | -151.4 | 99.1 | 152.8 | -83.6 | -145.4 | 158.1 | 94 | 3.8 | 111.8 | ||||
| 190 | Q | 43.1 | Very low | 43.6 | Very low | 185 Ų | 185 | 134.9 Ų | 134.9 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -148.8 | 124.6 | 143.1 | -114 | 179.9 | -30.9 | 0 | 0 | 110.1 | ||||
| 191 | P | 48.3 | Very low | 43.8 | Very low | 113 Ų | 113 | 135.7 Ų | 135.7 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | trans | -98.9 | 124.8 | 169.8 | 32.5 | -23.1 | 0 | 0 | 0 | 110.4 | ||||
| 192 | L | 41.2 | Very low | 43.8 | Very low | 165 Ų | 165 | 135.5 Ų | 135.5 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -148.2 | 121 | 157.5 | -81.3 | 178 | 0 | 0 | 0 | 109.5 | ||||
| 193 | P | 47.3 | Very low | 43.6 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -97.8 | 126.8 | 162.1 | 33.2 | -22.7 | 0 | 0 | 0 | 109.5 | ||||
| 194 | A | 37 | Very low | 43.6 | Very low | 97 Ų | 97 | 140.3 Ų | 140.3 | 80% | 0.802 | 81% | 0.814 | S | S | * | * | trans | -107.7 | 113.8 | 156.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 195 | S | 39.6 | Very low | 44.1 | Very low | 127 Ų | 127 | 138 Ų | 138 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | trans | 12.4 | 141.2 | 142.8 | -45.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 196 | G | 40.5 | Very low | 44.1 | Very low | 67 Ų | 67 | 134.1 Ų | 134.1 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | cis | -173 | 145.5 | 14.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 197 | L | 39 | Very low | 44.6 | Very low | 169 Ų | 169 | 134 Ų | 134 | 89% | 0.885 | 81% | 0.808 | S | S | * | * | 74.1 | 118 | 108.1 | -157 | 72.1 | 0 | 0 | 0 | 115.1 | |||||
| 198 | A | 45.9 | Very low | 44.9 | Very low | 92 Ų | 92 | 137.3 Ų | 137.3 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | trans | -57.7 | 138 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 199 | T | 44.2 | Very low | 44.7 | Very low | 142 Ų | 142 | 136.8 Ų | 136.8 | 87% | 0.871 | 82% | 0.818 | S | S | * | * | trans | -157.9 | 100.9 | 152.1 | -27.8 | 0 | 0 | 0 | 0 | 105 | ||||
| 200 | G | 41.4 | Very low | 45 | Very low | 68 Ų | 68 | 134.1 Ų | 134.1 | 70% | 0.701 | 82% | 0.819 | S | S | * | * | 104.1 | 96.8 | 83.3 | 0 | 0 | 0 | 0 | 0 | 108 | P202 | G200-P202 WeakPolarHBondContact O-CD 3.21Š| |||
| 201 | M | 50.1 | Low | 44.9 | Very low | 181 Ų | 181 | 132.5 Ų | 132.5 | 89% | 0.892 | 85% | 0.853 | S | S | * | * | trans | -77.4 | 120 | 162.8 | -64.4 | -71.7 | -80.4 | 0 | 0 | 107.3 | Q203 | M201-Q203 PolarHBondContact O-N 2.69Š| ||
| 202 | P | 50.6 | Low | 44.7 | Very low | 123 Ų | 123 | 133.5 Ų | 133.5 | 80% | 0.799 | 86% | 0.859 | S | S | * | * | trans | -79.8 | 104.1 | 159 | 27.9 | -22 | 0 | 0 | 0 | 107.8 | G200 Q204 | G200-P202 WeakPolarHBondContact O-CD 3.21Å; P202-Q204 PolarHBondContact O-N 2.86Å | ||
| 203 | Q | 44.6 | Very low | 44.9 | Very low | 189 Ų | 189 | 131.8 Ų | 131.8 | 88% | 0.883 | 86% | 0.858 | S | S | * | * | P | Polyproline II helix | trans | -60 | 117.4 | 153.5 | -101.2 | -174 | -36.5 | 0 | 0 | 107.7 | M201 | M201-Q203 PolarHBondContact O-N 2.69Š|
| 204 | Q | 47.9 | Very low | 44.8 | Very low | 187 Ų | 187 | 132.2 Ų | 132.2 | 87% | 0.874 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 123.8 | 169.7 | -159.7 | 158.9 | -57.7 | 0 | 0 | 108.3 | P202 A206 | P202-Q204 PolarHBondContact O-N 2.86Å; Q204-A206 PolarHBondContact O-N 2.99Å |
| 205 | P | 53 | Low | 45.3 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 78% | 0.779 | 86% | 0.864 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 126.4 | 172.4 | -14.1 | 28.7 | 0 | 0 | 0 | 109.9 | A207 | P205-A207 PolarHBondContact O-N 3.03Å; P205-A207 VanDerWaalsContact O-N 3.13Å |
| 206 | A | 47.8 | Very low | 45.6 | Very low | 95 Ų | 95 | 134.8 Ų | 134.8 | 79% | 0.785 | 86% | 0.863 | S | S | * | * | trans | -64.6 | 107.8 | 163.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q204 Y208 | Q204-A206 PolarHBondContact O-N 2.99Å; A206-Y208 PolarHBondContact O-N 3.49Å | ||
| 207 | A | 50.3 | Low | 46 | Very low | 97 Ų | 97 | 139.3 Ų | 139.3 | 80% | 0.802 | 87% | 0.874 | S | S | * | * | trans | -69.9 | 115.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 108 | P205 A209 | P205-A207 PolarHBondContact O-N 3.03Å; P205-A207 VanDerWaalsContact O-N 3.13Å; A207-A209 PolarHBondContact O-N 2.89Å | ||
| 208 | Y | 43 | Very low | 46.5 | Very low | 204 Ų | 204 | 137.1 Ų | 137.1 | 80% | 0.8 | 87% | 0.874 | S | S | * | * | trans | -75.1 | 115.2 | 164.6 | 50.5 | -85.7 | 0 | 0 | 0 | 107.5 | A206 | A206-Y208 PolarHBondContact O-N 3.49Š| ||
| 209 | A | 46.4 | Very low | 46.5 | Very low | 100 Ų | 100 | 140.6 Ų | 140.6 | 83% | 0.826 | 88% | 0.882 | S | S | * | * | trans | -81.8 | 119.5 | 163 | 0 | 0 | 0 | 0 | 0 | 107.6 | A207 | A207-A209 PolarHBondContact O-N 2.89Š| ||
| 210 | L | 43.6 | Very low | 46.7 | Very low | 170 Ų | 170 | 140.5 Ų | 140.5 | 89% | 0.89 | 88% | 0.883 | S | S | * | * | trans | -72.1 | 124.5 | 161.4 | -87 | 156.1 | 0 | 0 | 0 | 107.8 | ||||
| 211 | G | 41.7 | Very low | 47.2 | Very low | 152 Ų | 152 | 147.1 Ų | 147.1 | 100% | 1.567 | 90% | 0.9 | S | S | * | * | trans | -152.2 | 0 | 168.8 | 0 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 211 of 211 residues in 209.6 ms
(Link to these results)