| 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 | 41.8 | Very low | 54.1 | Low | 248 Ų | 248 | 157.5 Ų | 157.5 | 100% | 1.222 | 86% | 0.859 | S | S | * | * | 0 | 118.1 | 0 | -62.1 | -179.3 | 77.9 | 0 | 0 | 108.5 | |||||
| 2 | K | 44.5 | Very low | 54.5 | Low | 209 Ų | 209 | 156.7 Ų | 156.7 | 91% | 0.909 | 85% | 0.848 | S | S | * | * | trans | -109.9 | 108.7 | -172.3 | -163.2 | 165.6 | 178.2 | 175.7 | 0 | 108.7 | K4 | K2-K4 PolarHBondContact O-N 3.29Š| ||
| 3 | A | 53.6 | Low | 54.9 | Low | 96 Ų | 96 | 151.8 Ų | 151.8 | 79% | 0.793 | 83% | 0.833 | S | S | * | * | trans | -71.8 | 119.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | R5 | A3-R5 PolarHBondContact O-N 3.31Š| ||
| 4 | K | 53.9 | Low | 55.3 | Low | 207 Ų | 207 | 150.6 Ų | 150.6 | 90% | 0.9 | 83% | 0.832 | S | S | * | * | trans | -74.3 | 115.8 | 170.7 | -68.7 | -170.1 | 177.9 | -175.4 | 0 | 108.5 | K2 G6 | K2-K4 PolarHBondContact O-N 3.29Å; K4-G6 PolarHBondContact O-N 3.37Å | ||
| 5 | R | 56.3 | Low | 55.6 | Low | 241 Ų | 241 | 145.1 Ų | 145.1 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | trans | -74.2 | 107.3 | 170.8 | -64.8 | -178.3 | -165.4 | 169.1 | 3.8 | 107.9 | A3 T7 | A3-R5 PolarHBondContact O-N 3.31Å; R5-T7 PolarHBondContact O-N 3.45Å | ||
| 6 | G | 51.8 | Low | 55.9 | Low | 72 Ų | 72 | 145.9 Ų | 145.9 | 74% | 0.742 | 81% | 0.81 | S | S | * | * | trans | -67 | 116.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | K4 K8 | K4-G6 PolarHBondContact O-N 3.37Å; G6-K8 PolarHBondContact O-N 3.41Å; G6-K8 VanDerWaalsContact O-N 3.11Å | ||
| 7 | T | 58.5 | Low | 55.9 | Low | 134 Ų | 134 | 149.7 Ų | 149.7 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | trans | -67.8 | 101.7 | 167.2 | 44.2 | 0 | 0 | 0 | 0 | 108.2 | R5 T9 | R5-T7 PolarHBondContact O-N 3.45Å; T7-T9 PolarHBondContact O-N 3.23Å | ||
| 8 | K | 55.7 | Low | 55.7 | Low | 203 Ų | 203 | 148.7 Ų | 148.7 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | trans | -69.6 | 110 | 166 | -70.8 | -177 | 178.6 | -179.1 | 0 | 107.7 | G6 S10 | G6-K8 PolarHBondContact O-N 3.41Å; G6-K8 VanDerWaalsContact O-N 3.11Å; K8-S10 PolarHBondContact O-N 3.31Å | ||
| 9 | T | 60.3 | Low | 55.7 | Low | 134 Ų | 134 | 144.1 Ų | 144.1 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -66 | 111.5 | 164.9 | 40.5 | 0 | 0 | 0 | 0 | 107.5 | T7 A11 | T7-T9 PolarHBondContact O-N 3.23Å; T9-A11 PolarHBondContact O-N 3.11Å; T9-A11 VanDerWaalsContact O-N 3.14Å | ||
| 10 | S | 59.4 | Low | 56 | Low | 89 Ų | 89 | 142.7 Ų | 142.7 | 62% | 0.622 | 79% | 0.786 | S | S | * | * | trans | -63.4 | 112.6 | 172.6 | -176.2 | 0 | 0 | 0 | 0 | 108 | K8 M12 | K8-S10 PolarHBondContact O-N 3.31Å; S10-M12 PolarHBondContact O-N 3.25Å; S10-M12 WeakPolarHBondContact OG-CE 3.15Å | ||
| 11 | A | 59.5 | Low | 56.2 | Low | 100 Ų | 100 | 141.2 Ų | 141.2 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | trans | -62.8 | 99.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 108 | T9 S13 | T9-A11 PolarHBondContact O-N 3.11Å; T9-A11 VanDerWaalsContact O-N 3.14Å; A11-S13 PolarHBondContact O-N 3.14Å | ||
| 12 | M | 58.3 | Low | 57 | Low | 147 Ų | 147 | 133.5 Ų | 133.5 | 72% | 0.724 | 75% | 0.753 | S | S | * | * | trans | -65.8 | 122.6 | 176.7 | -73.3 | -70.2 | 106.9 | 0 | 0 | 109 | S10 T14 | S10-M12 PolarHBondContact O-N 3.25Å; S10-M12 WeakPolarHBondContact OG-CE 3.15Å; M12-T14 PolarHBondContact O-N 2.93Å | ||
| 13 | S | 59.8 | Low | 57.6 | Low | 94 Ų | 94 | 133 Ų | 133 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | trans | -49.6 | 127.5 | 170.5 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | A11 S15 | A11-S13 PolarHBondContact O-N 3.14Å; S13-S15 PolarHBondContact O-N 2.88Å; S13-S15 VanDerWaalsContact O-N 3.09Å; S13-S15 PolarHBondContact OG-N 3.19Å; S13-S15 PolarHBondContact OG-OG 3.09Å | ||
| 14 | T | 60.6 | Low | 58.1 | Low | 134 Ų | 134 | 131.8 Ų | 131.8 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | trans | -74.1 | 13 | 177.6 | 51.9 | 0 | 0 | 0 | 0 | 113.4 | M12 L16 | M12-T14 PolarHBondContact O-N 2.93Å; T14-L16 PolarHBondContact O-N 3.35Å | ||
| 15 | S | 59.9 | Low | 58.5 | Low | 68 Ų | 68 | 130.5 Ų | 130.5 | 48% | 0.476 | 74% | 0.741 | S | S | . | * | trans | -60.3 | 104.7 | 170.6 | 60.3 | 0 | 0 | 0 | 0 | 108.6 | S13 R17 | S13-S15 PolarHBondContact O-N 2.88Å; S13-S15 VanDerWaalsContact O-N 3.09Å; S13-S15 PolarHBondContact OG-N 3.19Å; S13-S15 PolarHBondContact OG-OG 3.09Å; S15-R17 PolarHBondContact O-N 3.02Å | ||
| 16 | L | 60.2 | Low | 59 | Low | 158 Ų | 158 | 130.1 Ų | 130.1 | 83% | 0.827 | 74% | 0.74 | S | S | * | * | trans | -57.2 | 80.4 | -177.2 | -72.3 | 164.5 | 0 | 0 | 0 | 111.3 | T14 V18 | T14-L16 PolarHBondContact O-N 3.35Å; L16-V18 PolarHBondContact O-N 2.71Å | ||
| 17 | R | 56.2 | Low | 59.6 | Low | 211 Ų | 211 | 134 Ų | 134 | 80% | 0.796 | 74% | 0.737 | S | S | * | * | trans | -74.6 | 86.6 | 162.3 | -72.5 | -174.1 | 176.2 | 141.8 | -1.2 | 107.1 | S15 S19 | S15-R17 PolarHBondContact O-N 3.02Å; R17-S19 PolarHBondContact O-N 3.02Å | ||
| 18 | V | 52.5 | Low | 60.3 | Low | 132 Ų | 132 | 132.1 Ų | 132.1 | 80% | 0.8 | 72% | 0.721 | S | S | * | * | trans | -79.2 | 68.2 | 169.2 | -83.5 | 0 | 0 | 0 | 0 | 109.4 | L16 | L16-V18 PolarHBondContact O-N 2.71Š| ||
| 19 | S | 56.2 | Low | 61.2 | Low | 61 Ų | 61 | 127.6 Ų | 127.6 | 43% | 0.427 | 71% | 0.711 | S | S | . | * | trans | -87.5 | 124.2 | 160.6 | 45.2 | 0 | 0 | 0 | 0 | 107.9 | R17 S21 V22 | R17-S19 PolarHBondContact O-N 3.02Å; S19-S21 PolarHBondContact O-N 3.44Å; S19-V22 PolarHBondContact O-N 3.43Å; S19-V22 WeakPolarHBondContact OG-CG2 3.39Å | ||
| 20 | P | 60.3 | Low | 61.9 | Low | 115 Ų | 115 | 125.4 Ų | 125.4 | 75% | 0.747 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.4 | -6.7 | 178.4 | -23.5 | 33.1 | 0 | 0 | 0 | 114.5 | ||
| 21 | S | 60.3 | Low | 62.4 | Low | 112 Ų | 112 | 128.1 Ų | 128.1 | 78% | 0.783 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 4.2 | -176.4 | -171.1 | 0 | 0 | 0 | 0 | 113.7 | S19 H23 | S19-S21 PolarHBondContact O-N 3.44Å; S21-H23 PolarHBondContact O-N 3.24Å |
| 22 | V | 59.2 | Low | 63.2 | Low | 86 Ų | 86 | 132.9 Ų | 132.9 | 52% | 0.521 | 71% | 0.71 | S | S | . | * | S | Bend | trans | -76.9 | 110.3 | 172.9 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | S19 G24 Y25 | S19-V22 PolarHBondContact O-N 3.43Å; S19-V22 WeakPolarHBondContact OG-CG2 3.39Å; V22-G24 PolarHBondContact O-N 3.23Å; V22-Y25 PolarHBondContact O-N 3.27Å |
| 23 | H | 56.3 | Low | 64.2 | Low | 198 Ų | 198 | 135.1 Ų | 135.1 | 92% | 0.917 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -44.3 | 107.2 | 175.1 | -172.5 | 90.2 | 0 | 0 | 0 | 111.1 | S21 | S21-H23 PolarHBondContact O-N 3.24Š|
| 24 | G | 64.4 | Low | 64.8 | Low | 71 Ų | 71 | 139.8 Ų | 139.8 | 73% | 0.732 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 133.7 | -21.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | V22 R26 | V22-G24 PolarHBondContact O-N 3.23Å; G24-R26 PolarHBondContact O-N 3Å |
| 25 | Y | 63.5 | Low | 65.3 | Low | 180 Ų | 180 | 138.2 Ų | 138.2 | 71% | 0.706 | 72% | 0.724 | S | S | * | * | trans | -81.8 | 87 | 174.8 | -161.8 | -101.7 | 0 | 0 | 0 | 110.3 | V22 F27 | V22-Y25 PolarHBondContact O-N 3.27Å; Y25-F27 HydrophobicContact CD1-CD2 4.4Å; Y25-F27 HydrophobicContact CE1-CD2 4.48Å; Y25-F27 PolarHBondContact O-N 3.22Å | ||
| 26 | R | 65.3 | Low | 65.8 | Low | 233 Ų | 233 | 140.2 Ų | 140.2 | 88% | 0.879 | 73% | 0.733 | S | S | * | * | trans | -68.8 | 117.5 | 167.4 | -73 | -166.8 | 177.1 | -139.1 | 0.9 | 107.5 | G24 D28 | G24-R26 PolarHBondContact O-N 3Å; R26-D28 PolarHBondContact O-N 3.38Å; R26-D28 VanDerWaalsContact O-N 3.08Å | ||
| 27 | F | 66.3 | Low | 66.2 | Low | 155 Ų | 155 | 136.8 Ų | 136.8 | 68% | 0.68 | 73% | 0.728 | S | S | * | * | trans | -55.3 | 116.9 | 168.1 | -110.7 | -94.4 | 0 | 0 | 0 | 108.1 | Y25 T29 | Y25-F27 HydrophobicContact CD1-CD2 4.4Å; Y25-F27 HydrophobicContact CE1-CD2 4.48Å; Y25-F27 PolarHBondContact O-N 3.22Å; F27-T29 VanDerWaalsContact C-N 3.32Å; F27-T29 PolarHBondContact O-N 3.4Å | ||
| 28 | D | 72.8 | Confident | 67.3 | Low | 93 Ų | 93 | 131.6 Ų | 131.6 | 50% | 0.497 | 72% | 0.716 | S | S | . | * | trans | -71.2 | 92.7 | 177.1 | -171.3 | -9.3 | 0 | 0 | 0 | 109 | R26 A30 L31 | R26-D28 PolarHBondContact O-N 3.38Å; R26-D28 VanDerWaalsContact O-N 3.08Å; D28-A30 VanDerWaalsContact C-N 3.28Å; D28-A30 WeakPolarHBondContact OD1-CB 3.29Å; D28-A30 PolarHBondContact OD1-N 2.86Å; D28-L31 PolarHBondContact OD1-N 2.94Å; D28-L31 WeakPolarHBondContact OD2-CD1 3.46Å | ||
| 29 | T | 73.5 | Confident | 68.8 | Low | 108 Ų | 108 | 130.7 Ų | 130.7 | 66% | 0.663 | 71% | 0.705 | S | S | * | * | trans | -78.4 | -15.2 | 177.5 | 51 | 0 | 0 | 0 | 0 | 112.1 | F27 R32 | F27-T29 VanDerWaalsContact C-N 3.32Å; F27-T29 PolarHBondContact O-N 3.4Å; T29-R32 WeakPolarHBondContact O-CB 3.48Å; T29-R32 PolarHBondContact O-N 2.92Å | ||
| 30 | A | 74.9 | Confident | 70.3 | Confident | 89 Ų | 89 | 131 Ų | 131 | 74% | 0.736 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -72.9 | -34 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | D28 | D28-A30 VanDerWaalsContact C-N 3.28Å; D28-A30 WeakPolarHBondContact OD1-CB 3.29Å; D28-A30 PolarHBondContact OD1-N 2.86Å |
| 31 | L | 71.4 | Confident | 71.4 | Confident | 145 Ų | 145 | 133 Ų | 133 | 76% | 0.759 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -88.9 | -2.7 | 175.8 | -63.4 | -179.8 | 0 | 0 | 0 | 114 | D28 K33 | D28-L31 PolarHBondContact OD1-N 2.94Å; D28-L31 WeakPolarHBondContact OD2-CD1 3.46Å; L31-K33 PolarHBondContact O-N 3.43Å |
| 32 | R | 75.4 | Confident | 72.6 | Confident | 200 Ų | 200 | 133 Ų | 133 | 76% | 0.755 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -66.5 | 121.9 | 179.6 | -171.6 | 178.1 | -178.6 | -179.1 | 1.6 | 109.1 | T29 K34 | T29-R32 WeakPolarHBondContact O-CB 3.48Å; T29-R32 PolarHBondContact O-N 2.92Å; R32-K34 PolarHBondContact O-N 3.49Å; R32-K34 VanDerWaalsContact O-N 3.14Å |
| 33 | K | 78.3 | Confident | 74 | Confident | 194 Ų | 194 | 132 Ų | 132 | 84% | 0.843 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 124.4 | 169.7 | -70.1 | -173.7 | 178 | -176.4 | 0 | 108.7 | L31 A35 | L31-K33 PolarHBondContact O-N 3.43Å; K33-A35 PolarHBondContact O-N 3.5Å |
| 34 | K | 73.3 | Confident | 75.5 | Confident | 193 Ų | 193 | 128.3 Ų | 128.3 | 84% | 0.839 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 132.8 | 171.9 | -74.7 | -172.1 | 175.8 | 179.7 | 0 | 107.7 | R32 V36 | R32-K34 PolarHBondContact O-N 3.49Å; R32-K34 VanDerWaalsContact O-N 3.14Å; K34-V36 PolarHBondContact O-N 2.9Å; K34-V36 VanDerWaalsContact O-N 3.13Å |
| 35 | A | 71.3 | Confident | 76.6 | Confident | 100 Ų | 100 | 128.4 Ų | 128.4 | 83% | 0.826 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -58 | 122.5 | 174 | 0 | 0 | 0 | 0 | 0 | 107.7 | K33 A37 | K33-A35 PolarHBondContact O-N 3.5Å; A35-A37 PolarHBondContact O-N 3.3Å |
| 36 | V | 70.5 | Confident | 77.8 | Confident | 110 Ų | 110 | 127.6 Ų | 127.6 | 67% | 0.667 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 128.2 | 174.8 | 175.5 | 0 | 0 | 0 | 0 | 107 | K34 I39 | K34-V36 PolarHBondContact O-N 2.9Å; K34-V36 VanDerWaalsContact O-N 3.13Å; V36-I39 HydrophobicContact CB-CG2 4.27Å; V36-I39 WeakPolarHBondContact O-CG2 3.48Å |
| 37 | A | 68.1 | Low | 79 | Confident | 87 Ų | 87 | 119.6 Ų | 119.6 | 72% | 0.719 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | 137.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | A35 | A35-A37 PolarHBondContact O-N 3.3Š|
| 38 | N | 79.1 | Confident | 80.1 | Confident | 101 Ų | 101 | 112.9 Ų | 112.9 | 54% | 0.54 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 60.6 | 54.9 | 174.4 | -156.2 | 16.2 | 0 | 0 | 0 | 115.8 | F40 E41 | N38-F40 PolarHBondContact O-N 3.18Å; N38-E41 HydrophobicContact CB-CB 4.37Å; N38-E41 WeakPolarHBondContact ND2-CB 3.33Å; N38-E41 WeakPolarHBondContact O-CB 3.26Å; N38-E41 PolarHBondContact O-N 3.34Å |
| 39 | I | 84.8 | Confident | 80.9 | Confident | 113 Ų | 113 | 111 Ų | 111 | 58% | 0.579 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -5.8 | 174.3 | 63.6 | 174.5 | 0 | 0 | 0 | 115.4 | V36 | V36-I39 HydrophobicContact CB-CG2 4.27Å; V36-I39 WeakPolarHBondContact O-CG2 3.48Å |
| 40 | F | 86.8 | Confident | 81.9 | Confident | 67 Ų | 67 | 112.6 Ų | 112.6 | 29% | 0.294 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -111.7 | 9.8 | 179.8 | -58.6 | -67.9 | 0 | 0 | 0 | 113 | N38 S42 I43 L48 L51 F52 | N38-F40 PolarHBondContact O-N 3.18Å; F40-S42 VanDerWaalsContact C-N 3.28Å; F40-S42 PolarHBondContact O-N 3.48Å; F40-I43 HydrophobicContact CD1-CD1 3.64Å; F40-I43 HydrophobicContact CE1-CD1 4.35Å; F40-I43 PolarHBondContact O-N 3.4Å; F40-I43 VanDerWaalsContact O-N 3.08Å; F40-L48 HydrophobicContact CB-CD1 4.21Å; F40-L48 HydrophobicContact CB-CD2 4.29Å; F40-L48 HydrophobicContact CD1-CD1 3.28Å; F40-L48 HydrophobicContact CD2-CD1 4.16Å; F40-L48 HydrophobicContact CE1-CD1 3.56Å; F40-L48 HydrophobicContact CE2-CD1 4.37Å; F40-L48 HydrophobicContact CG-CD1 3.63Å; F40-L48 HydrophobicContact CG-CD2 4.43Å; F40-L48 HydrophobicContact CZ-CD1 4.1Å; F40-L51 HydrophobicContact CE1-CD2 3.83Å; F40-L51 HydrophobicContact CZ-CD2 4.34Å; F40-F52 HydrophobicContact CE2-CZ 4.38Å; F40-F52 HydrophobicContact CZ-CZ 4.34Å |
| 41 | E | 83.9 | Confident | 82.8 | Confident | 157 Ų | 157 | 112.3 Ų | 112.3 | 73% | 0.734 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -40.6 | -176.3 | -172.8 | 169.9 | -168.5 | 0 | 0 | 113.4 | N38 | N38-E41 HydrophobicContact CB-CB 4.37Å; N38-E41 WeakPolarHBondContact ND2-CB 3.33Å; N38-E41 WeakPolarHBondContact O-CB 3.26Å; N38-E41 PolarHBondContact O-N 3.34Å |
| 42 | S | 86.4 | Confident | 83.8 | Confident | 112 Ų | 112 | 106.8 Ų | 106.8 | 78% | 0.783 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.7 | 5.4 | -179.1 | 58.7 | 0 | 0 | 0 | 0 | 114.2 | F40 | F40-S42 VanDerWaalsContact C-N 3.28Å; F40-S42 PolarHBondContact O-N 3.48Å |
| 43 | I | 87.9 | Confident | 84.7 | Confident | 66 Ų | 66 | 104.5 Ų | 104.5 | 34% | 0.338 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -100 | 128.8 | -173 | -67.3 | 173.2 | 0 | 0 | 0 | 110 | F40 L48 | F40-I43 HydrophobicContact CD1-CD1 3.64Å; F40-I43 HydrophobicContact CE1-CD1 4.35Å; F40-I43 PolarHBondContact O-N 3.4Å; F40-I43 VanDerWaalsContact O-N 3.08Å; I43-L48 HydrophobicContact CG2-CB 4.17Å |
| 44 | N | 88.5 | Confident | 85.5 | Confident | 120 Ų | 120 | 101.1 Ų | 101.1 | 64% | 0.642 | 54% | 0.54 | S | S | * | . | trans | -61.7 | 147.4 | 175.9 | -62.7 | -11.3 | 0 | 0 | 0 | 111.5 | E46 S47 L48 | N44-E46 VanDerWaalsContact C-N 3.32Å; N44-E46 PolarHBondContact O-N 3.3Å; N44-S47 WeakPolarHBondContact O-CB 3.47Å; N44-S47 PolarHBondContact O-N 3Å; N44-S47 VanDerWaalsContact O-N 3.08Å; N44-L48 PolarHBondContact O-N 3.11Å | ||
| 45 | E | 86.2 | Confident | 86.5 | Confident | 73 Ų | 73 | 95.6 Ų | 95.6 | 34% | 0.341 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -52.9 | -47.8 | 179.8 | 173.3 | 166.4 | -166.6 | 0 | 0 | 112.9 | S47 L48 Q49 L68 | E45-S47 VanDerWaalsContact C-N 3.27Å; E45-S47 PolarHBondContact O-N 3.14Å; E45-L48 PolarHBondContact O-N 3.05Å; E45-L48 VanDerWaalsContact O-N 3.13Å; E45-Q49 HydrophobicContact CG-CG 4.23Å; E45-Q49 WeakPolarHBondContact O-CG 2.98Å; E45-Q49 PolarHBondContact O-N 3.46Å; E45-Q49 PolarHBondContact OE1-NE2 3.37Å; E45-L68 HydrophobicContact CB-CD1 3.74Å; E45-L68 HydrophobicContact CG-CB 4.22Å; E45-L68 HydrophobicContact CG-CD1 3.67Å |
| 46 | E | 88.9 | Confident | 87.5 | Confident | 163 Ų | 163 | 93.5 Ų | 93.5 | 76% | 0.762 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -60.2 | -39 | -178.8 | -62.1 | -176.9 | 170 | 0 | 0 | 112.3 | N44 K50 | N44-E46 VanDerWaalsContact C-N 3.32Å; N44-E46 PolarHBondContact O-N 3.3Å; E46-K50 VanDerWaalsContact O-CB 3.26Å; E46-K50 WeakPolarHBondContact O-CB 3.2Å; E46-K50 PolarHBondContact O-N 2.93Å |
| 47 | S | 90.4 | Very high | 88.6 | Confident | 66 Ų | 66 | 91.6 Ų | 91.6 | 46% | 0.462 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.7 | -39.6 | 178.2 | -67.4 | 0 | 0 | 0 | 0 | 110.9 | N44 E45 K50 L51 | N44-S47 WeakPolarHBondContact O-CB 3.47Å; N44-S47 PolarHBondContact O-N 3Å; N44-S47 VanDerWaalsContact O-N 3.08Å; E45-S47 VanDerWaalsContact C-N 3.27Å; E45-S47 PolarHBondContact O-N 3.14Å; S47-K50 PolarHBondContact O-N 3.19Å; S47-L51 WeakPolarHBondContact O-CB 3.41Å; S47-L51 PolarHBondContact O-N 3.16Å |
| 48 | L | 90.4 | Very high | 89.6 | Confident | 13 Ų | 13 | 95 Ų | 95 | 7% | 0.068 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -68.1 | -41.9 | 177.3 | -168.5 | 60.7 | 0 | 0 | 0 | 112 | F40 I43 N44 E45 L51 F52 A64 L68 | F40-L48 HydrophobicContact CB-CD1 4.21Å; F40-L48 HydrophobicContact CB-CD2 4.29Å; F40-L48 HydrophobicContact CD1-CD1 3.28Å; F40-L48 HydrophobicContact CD2-CD1 4.16Å; F40-L48 HydrophobicContact CE1-CD1 3.56Å; F40-L48 HydrophobicContact CE2-CD1 4.37Å; F40-L48 HydrophobicContact CG-CD1 3.63Å; F40-L48 HydrophobicContact CG-CD2 4.43Å; F40-L48 HydrophobicContact CZ-CD1 4.1Å; I43-L48 HydrophobicContact CG2-CB 4.17Å; N44-L48 PolarHBondContact O-N 3.11Å; E45-L48 PolarHBondContact O-N 3.05Å; E45-L48 VanDerWaalsContact O-N 3.13Å; L48-L51 HydrophobicContact CD1-CD2 4.35Å; L48-L51 WeakPolarHBondContact O-CB 3.48Å; L48-L51 PolarHBondContact O-N 3.28Å; L48-F52 HydrophobicContact CD1-CD2 4.38Å; L48-F52 HydrophobicContact CD1-CE1 4.49Å; L48-F52 HydrophobicContact CD1-CE2 3.56Å; L48-F52 HydrophobicContact CD1-CZ 3.62Å; L48-F52 HydrophobicContact CD2-CE2 4.07Å; L48-F52 HydrophobicContact CG-CD2 4.14Å; L48-F52 HydrophobicContact CG-CE2 3.49Å; L48-F52 VanDerWaalsContact CG-CE2 3.49Å; L48-F52 HydrophobicContact CG-CZ 4.1Å; L48-F52 WeakPolarHBondContact O-CD2 3.36Å; L48-F52 PolarHBondContact O-N 3.26Å; L48-A64 HydrophobicContact CD2-CB 4.13Å; L48-A64 HydrophobicContact CG-CB 4.37Å; L48-L68 HydrophobicContact CD2-CD1 3.8Å |
| 49 | Q | 89.7 | Confident | 90.2 | Very high | 55 Ų | 55 | 96.2 Ų | 96.2 | 26% | 0.257 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.9 | -44.3 | 174.3 | -69.4 | -170.3 | 17.7 | 0 | 0 | 111.5 | E45 L51 F52 K53 | E45-Q49 HydrophobicContact CG-CG 4.23Å; E45-Q49 WeakPolarHBondContact O-CG 2.98Å; E45-Q49 PolarHBondContact O-N 3.46Å; E45-Q49 PolarHBondContact OE1-NE2 3.37Å; Q49-L51 VanDerWaalsContact C-N 3.32Å; Q49-L51 PolarHBondContact O-N 3.49Å; Q49-F52 PolarHBondContact O-N 3.34Å; Q49-K53 WeakPolarHBondContact O-CB 3.42Å; Q49-K53 PolarHBondContact O-N 3.09Å |
| 50 | K | 93.3 | Very high | 90.4 | Very high | 140 Ų | 140 | 91.4 Ų | 91.4 | 61% | 0.609 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.3 | -39.9 | 176.6 | -173.4 | 176.4 | -178.9 | 179.3 | 0 | 111.8 | E46 S47 K53 N54 | E46-K50 VanDerWaalsContact O-CB 3.26Å; E46-K50 WeakPolarHBondContact O-CB 3.2Å; E46-K50 PolarHBondContact O-N 2.93Å; S47-K50 PolarHBondContact O-N 3.19Å; K50-K53 PolarHBondContact O-N 3.04Å; K50-N54 VanDerWaalsContact O-CB 3.29Å; K50-N54 WeakPolarHBondContact O-CB 3.41Å; K50-N54 PolarHBondContact O-N 3.27Å; K50-N54 PolarHBondContact O-OD1 3.13Å |
| 51 | L | 93.6 | Very high | 90.6 | Very high | 84 Ų | 84 | 90.1 Ų | 90.1 | 44% | 0.44 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.9 | -52.9 | 175.6 | 176.7 | 65.4 | 0 | 0 | 0 | 111.3 | F40 S47 L48 Q49 K53 N54 S55 | F40-L51 HydrophobicContact CE1-CD2 3.83Å; F40-L51 HydrophobicContact CZ-CD2 4.34Å; S47-L51 WeakPolarHBondContact O-CB 3.41Å; S47-L51 PolarHBondContact O-N 3.16Å; L48-L51 HydrophobicContact CD1-CD2 4.35Å; L48-L51 WeakPolarHBondContact O-CB 3.48Å; L48-L51 PolarHBondContact O-N 3.28Å; Q49-L51 VanDerWaalsContact C-N 3.32Å; Q49-L51 PolarHBondContact O-N 3.49Å; L51-K53 VanDerWaalsContact C-N 3.34Å; L51-K53 PolarHBondContact O-N 3.37Å; L51-N54 PolarHBondContact O-N 3.08Å; L51-S55 WeakPolarHBondContact O-CB 3.49Å; L51-S55 PolarHBondContact O-N 3.47Å; L51-S55 PolarHBondContact O-OG 2.94Å |
| 52 | F | 93.8 | Very high | 91 | Very high | 28 Ų | 28 | 86.4 Ų | 86.4 | 12% | 0.123 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -68.4 | -34.3 | -178.3 | -63.1 | -42.2 | 0 | 0 | 0 | 113 | F40 L48 Q49 S55 G56 D57 A60 E61 A64 | F40-F52 HydrophobicContact CE2-CZ 4.38Å; F40-F52 HydrophobicContact CZ-CZ 4.34Å; L48-F52 HydrophobicContact CD1-CD2 4.38Å; L48-F52 HydrophobicContact CD1-CE1 4.49Å; L48-F52 HydrophobicContact CD1-CE2 3.56Å; L48-F52 HydrophobicContact CD1-CZ 3.62Å; L48-F52 HydrophobicContact CD2-CE2 4.07Å; L48-F52 HydrophobicContact CG-CD2 4.14Å; L48-F52 HydrophobicContact CG-CE2 3.49Å; L48-F52 VanDerWaalsContact CG-CE2 3.49Å; L48-F52 HydrophobicContact CG-CZ 4.1Å; L48-F52 WeakPolarHBondContact O-CD2 3.36Å; L48-F52 PolarHBondContact O-N 3.26Å; Q49-F52 PolarHBondContact O-N 3.34Å; F52-S55 WeakPolarHBondContact CA-OG 3.47Å; F52-S55 PolarHBondContact O-N 3.11Å; F52-S55 PolarHBondContact O-OG 3.01Å; F52-S55 VanDerWaalsContact O-OG 3.11Å; F52-G56 PolarHBondContact O-N 3.15Å; F52-G56 VanDerWaalsContact O-N 3.14Å; F52-D57 PolarHBondContact O-N 2.85Å; F52-A60 HydrophobicContact CB-CB 4.29Å; F52-A60 HydrophobicContact CD1-CB 3.37Å; F52-A60 HydrophobicContact CD2-CB 3.96Å; F52-A60 HydrophobicContact CE1-CB 3.54Å; F52-A60 HydrophobicContact CE2-CB 4.07Å; F52-A60 HydrophobicContact CG-CB 3.61Å; F52-A60 HydrophobicContact CZ-CB 3.89Å; F52-E61 HydrophobicContact CB-CB 3.87Å; F52-A64 HydrophobicContact CD2-CB 3.88Å; F52-A64 HydrophobicContact CE2-CB 3.72Å |
| 53 | K | 93.6 | Very high | 91.2 | Very high | 153 Ų | 153 | 87.1 Ų | 87.1 | 67% | 0.665 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -63 | -47.1 | 172.8 | -172.4 | 176.8 | -179.7 | -179.6 | 0 | 111.2 | Q49 K50 L51 S55 G56 | Q49-K53 WeakPolarHBondContact O-CB 3.42Å; Q49-K53 PolarHBondContact O-N 3.09Å; K50-K53 PolarHBondContact O-N 3.04Å; L51-K53 VanDerWaalsContact C-N 3.34Å; L51-K53 PolarHBondContact O-N 3.37Å; K53-S55 VanDerWaalsContact C-N 3.35Å; K53-S55 PolarHBondContact O-N 3.06Å; K53-G56 PolarHBondContact O-N 3.16Å |
| 54 | N | 94.9 | Very high | 91.3 | Very high | 122 Ų | 122 | 84.3 Ų | 84.3 | 65% | 0.652 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -67.7 | -33.8 | 179.5 | -71.4 | -5 | 0 | 0 | 0 | 112.5 | K50 L51 G56 | K50-N54 VanDerWaalsContact O-CB 3.29Å; K50-N54 WeakPolarHBondContact O-CB 3.41Å; K50-N54 PolarHBondContact O-N 3.27Å; K50-N54 PolarHBondContact O-OD1 3.13Å; L51-N54 PolarHBondContact O-N 3.08Å; N54-G56 PolarHBondContact O-N 3.03Å |
| 55 | S | 93.7 | Very high | 91.3 | Very high | 77 Ų | 77 | 82.9 Ų | 82.9 | 54% | 0.538 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -8.4 | 175.8 | 75.7 | 0 | 0 | 0 | 0 | 113.4 | L51 F52 K53 D57 | L51-S55 WeakPolarHBondContact O-CB 3.49Å; L51-S55 PolarHBondContact O-N 3.47Å; L51-S55 PolarHBondContact O-OG 2.94Å; F52-S55 WeakPolarHBondContact CA-OG 3.47Å; F52-S55 PolarHBondContact O-N 3.11Å; F52-S55 PolarHBondContact O-OG 3.01Å; F52-S55 VanDerWaalsContact O-OG 3.11Å; K53-S55 VanDerWaalsContact C-N 3.35Å; K53-S55 PolarHBondContact O-N 3.06Å; S55-D57 PolarHBondContact O-N 3.31Å; S55-D57 WeakPolarHBondContact OG-CB 3.03Å; S55-D57 PolarHBondContact OG-N 3.08Å |
| 56 | G | 93 | Very high | 91.4 | Very high | 56 Ų | 56 | 80.8 Ų | 80.8 | 58% | 0.577 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.9 | 12.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114 | F52 K53 N54 K58 | F52-G56 PolarHBondContact O-N 3.15Å; F52-G56 VanDerWaalsContact O-N 3.14Å; K53-G56 PolarHBondContact O-N 3.16Å; N54-G56 PolarHBondContact O-N 3.03Å; G56-K58 VanDerWaalsContact C-N 3.34Å; G56-K58 PolarHBondContact O-N 2.92Å |
| 57 | D | 93.4 | Very high | 91.3 | Very high | 71 Ų | 71 | 77 Ų | 77 | 38% | 0.38 | 39% | 0.389 | S | S | . | . | trans | -85.7 | 77.8 | 179.8 | -166.5 | -13 | 0 | 0 | 0 | 111 | F52 S55 K59 A60 E61 | F52-D57 PolarHBondContact O-N 2.85Å; S55-D57 PolarHBondContact O-N 3.31Å; S55-D57 WeakPolarHBondContact OG-CB 3.03Å; S55-D57 PolarHBondContact OG-N 3.08Å; D57-K59 PolarHBondContact O-N 3.27Å; D57-K59 VanDerWaalsContact O-N 3.15Å; D57-K59 WeakPolarHBondContact OD1-CB 3.42Å; D57-K59 PolarHBondContact OD1-N 3.18Å; D57-K59 VanDerWaalsContact OD1-N 3.16Å; D57-A60 HydrophobicContact CB-CB 3.99Å; D57-A60 VanDerWaalsContact CG-CB 3.47Å; D57-A60 PolarHBondContact O-N 3.16Å; D57-A60 VanDerWaalsContact O-N 3.11Å; D57-A60 PolarHBondContact OD1-N 3.34Å; D57-A60 WeakPolarHBondContact OD2-CB 3.47Å; D57-E61 PolarHBondContact O-N 3.08Å | ||
| 58 | K | 89.9 | Confident | 91 | Very high | 159 Ų | 159 | 76.4 Ų | 76.4 | 69% | 0.691 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -57 | -29.7 | 177.7 | -62.3 | -176.1 | -179.5 | -177.6 | 0 | 112.8 | G56 E62 | G56-K58 VanDerWaalsContact C-N 3.34Å; G56-K58 PolarHBondContact O-N 2.92Å; K58-E62 WeakPolarHBondContact O-CG 3.34Å; K58-E62 PolarHBondContact O-N 3.26Å; K58-E62 VanDerWaalsContact O-N 3.08Å |
| 59 | K | 90.4 | Very high | 90.6 | Very high | 125 Ų | 125 | 77.2 Ų | 77.2 | 54% | 0.543 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -72.4 | -38.7 | -179.9 | -66.3 | 174.9 | -176.1 | 167.2 | 0 | 110.9 | D57 R63 | D57-K59 PolarHBondContact O-N 3.27Å; D57-K59 VanDerWaalsContact O-N 3.15Å; D57-K59 WeakPolarHBondContact OD1-CB 3.42Å; D57-K59 PolarHBondContact OD1-N 3.18Å; D57-K59 VanDerWaalsContact OD1-N 3.16Å; K59-R63 WeakPolarHBondContact O-CD 3.34Å; K59-R63 WeakPolarHBondContact O-CG 3.48Å; K59-R63 PolarHBondContact O-N 3.42Å |
| 60 | A | 90.6 | Very high | 89.8 | Confident | 13 Ų | 13 | 80.5 Ų | 80.5 | 11% | 0.107 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -69.6 | -40.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | F52 D57 R63 A64 | F52-A60 HydrophobicContact CB-CB 4.29Å; F52-A60 HydrophobicContact CD1-CB 3.37Å; F52-A60 HydrophobicContact CD2-CB 3.96Å; F52-A60 HydrophobicContact CE1-CB 3.54Å; F52-A60 HydrophobicContact CE2-CB 4.07Å; F52-A60 HydrophobicContact CG-CB 3.61Å; F52-A60 HydrophobicContact CZ-CB 3.89Å; D57-A60 HydrophobicContact CB-CB 3.99Å; D57-A60 VanDerWaalsContact CG-CB 3.47Å; D57-A60 PolarHBondContact O-N 3.16Å; D57-A60 VanDerWaalsContact O-N 3.11Å; D57-A60 PolarHBondContact OD1-N 3.34Å; D57-A60 WeakPolarHBondContact OD2-CB 3.47Å; A60-R63 PolarHBondContact O-N 3.04Å; A60-A64 WeakPolarHBondContact O-CB 3.11Å; A60-A64 PolarHBondContact O-N 3.48Å |
| 61 | E | 91.2 | Very high | 89 | Confident | 40 Ų | 40 | 81.3 Ų | 81.3 | 19% | 0.187 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -57.2 | -51.9 | 175.8 | -167.4 | -164.9 | 148.1 | 0 | 0 | 112.4 | F52 D57 R63 A64 K65 | F52-E61 HydrophobicContact CB-CB 3.87Å; D57-E61 PolarHBondContact O-N 3.08Å; E61-R63 VanDerWaalsContact C-N 3.27Å; E61-R63 PolarHBondContact O-N 3.04Å; E61-A64 WeakPolarHBondContact O-CB 3.35Å; E61-A64 PolarHBondContact O-N 3.48Å; E61-K65 PolarHBondContact O-N 3.34Å; E61-K65 VanDerWaalsContact O-N 3.16Å; E61-K65 IonicContact OE1-NZ 2.73Å; E61-K65 PolarHBondContact OE1-NZ 2.91Å |
| 62 | E | 90.4 | Very high | 88.3 | Confident | 79 Ų | 79 | 80.8 Ų | 80.8 | 37% | 0.369 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.2 | -36.4 | 178.8 | -73.1 | 178.2 | 160.7 | 0 | 0 | 112.2 | K58 I66 L84 | K58-E62 WeakPolarHBondContact O-CG 3.34Å; K58-E62 PolarHBondContact O-N 3.26Å; K58-E62 VanDerWaalsContact O-N 3.08Å; E62-I66 WeakPolarHBondContact O-CG1 3.39Å; E62-I66 PolarHBondContact O-N 2.84Å; E62-L84 HydrophobicContact CB-CD1 4.49Å; E62-L84 HydrophobicContact CB-CD2 4.03Å; E62-L84 WeakPolarHBondContact OE2-CD1 3.34Å |
| 63 | R | 90.7 | Very high | 87.8 | Confident | 127 Ų | 127 | 85 Ų | 85 | 48% | 0.479 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69.9 | -40.3 | 176.8 | -73.2 | 171.6 | 67.1 | -164.8 | -0.5 | 112 | K59 A60 E61 K65 I66 I67 L81 L84 | K59-R63 WeakPolarHBondContact O-CD 3.34Å; K59-R63 WeakPolarHBondContact O-CG 3.48Å; K59-R63 PolarHBondContact O-N 3.42Å; A60-R63 PolarHBondContact O-N 3.04Å; E61-R63 VanDerWaalsContact C-N 3.27Å; E61-R63 PolarHBondContact O-N 3.04Å; R63-K65 VanDerWaalsContact C-N 3.31Å; R63-K65 PolarHBondContact O-N 2.73Å; R63-I66 PolarHBondContact O-N 3Å; R63-I67 WeakPolarHBondContact O-CG1 3.41Å; R63-I67 PolarHBondContact O-N 3.41Å; R63-L81 HydrophobicContact CB-CD2 4.46Å; R63-L81 HydrophobicContact CG-CD2 4.21Å; R63-L84 HydrophobicContact CG-CD2 3.87Å |
| 64 | A | 89.9 | Confident | 87.4 | Confident | 6 Ų | 6 | 84.4 Ų | 84.4 | 5% | 0.05 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | L48 F52 A60 E61 I66 I67 L68 | L48-A64 HydrophobicContact CD2-CB 4.13Å; L48-A64 HydrophobicContact CG-CB 4.37Å; F52-A64 HydrophobicContact CD2-CB 3.88Å; F52-A64 HydrophobicContact CE2-CB 3.72Å; A60-A64 WeakPolarHBondContact O-CB 3.11Å; A60-A64 PolarHBondContact O-N 3.48Å; E61-A64 WeakPolarHBondContact O-CB 3.35Å; E61-A64 PolarHBondContact O-N 3.48Å; A64-I66 VanDerWaalsContact C-N 3.31Å; A64-I66 PolarHBondContact O-N 2.91Å; A64-I67 PolarHBondContact O-N 3.11Å; A64-L68 VanDerWaalsContact O-CB 3.3Å; A64-L68 WeakPolarHBondContact O-CB 3.47Å; A64-L68 WeakPolarHBondContact O-CG 3.22Å; A64-L68 PolarHBondContact O-N 3.34Å |
| 65 | K | 89.1 | Confident | 87 | Confident | 90 Ų | 90 | 85.2 Ų | 85.2 | 39% | 0.391 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -55.7 | -42.2 | 175.9 | -73.7 | 171.4 | 171.3 | 169 | 0 | 112.9 | E61 R63 A69 | E61-K65 PolarHBondContact O-N 3.34Å; E61-K65 VanDerWaalsContact O-N 3.16Å; E61-K65 IonicContact OE1-NZ 2.73Å; E61-K65 PolarHBondContact OE1-NZ 2.91Å; R63-K65 VanDerWaalsContact C-N 3.31Å; R63-K65 PolarHBondContact O-N 2.73Å; K65-A69 WeakPolarHBondContact O-CB 3.41Å; K65-A69 PolarHBondContact O-N 3.2Å |
| 66 | I | 88.2 | Confident | 86.6 | Confident | 30 Ų | 30 | 85.8 Ų | 85.8 | 15% | 0.154 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -70.5 | -42.5 | 179 | -64.8 | 166.4 | 0 | 0 | 0 | 111.4 | E62 R63 A64 A80 L81 L84 | E62-I66 WeakPolarHBondContact O-CG1 3.39Å; E62-I66 PolarHBondContact O-N 2.84Å; R63-I66 PolarHBondContact O-N 3Å; A64-I66 VanDerWaalsContact C-N 3.31Å; A64-I66 PolarHBondContact O-N 2.91Å; I66-A80 HydrophobicContact CD1-CB 4.28Å; I66-A80 HydrophobicContact CG1-CB 4.4Å; I66-A80 HydrophobicContact CG2-CB 3.58Å; I66-L81 HydrophobicContact CB-CD2 4.3Å; I66-L81 HydrophobicContact CD1-CD2 4.28Å; I66-L81 HydrophobicContact CG2-CD2 4.09Å; I66-L81 HydrophobicContact CG2-CG 3.98Å; I66-L84 HydrophobicContact CD1-CB 4.26Å; I66-L84 HydrophobicContact CD1-CD2 3.84Å |
| 67 | I | 87.1 | Confident | 86.4 | Confident | 83 Ų | 83 | 85.2 Ų | 85.2 | 43% | 0.426 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -71 | -41.2 | -175.5 | -68.1 | 167.6 | 0 | 0 | 0 | 111 | R63 A64 K77 L81 | R63-I67 WeakPolarHBondContact O-CG1 3.41Å; R63-I67 PolarHBondContact O-N 3.41Å; A64-I67 PolarHBondContact O-N 3.11Å; I67-K77 WeakPolarHBondContact O-CE 3.46Å; I67-K77 PolarHBondContact O-NZ 3.41Å; I67-L81 HydrophobicContact CG1-CD1 4.33Å; I67-L81 HydrophobicContact CG1-CD2 4.46Å |
| 68 | L | 83.9 | Confident | 86.2 | Confident | 53 Ų | 53 | 85.4 Ų | 85.4 | 28% | 0.277 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -83.5 | -11.3 | -175.8 | -67.2 | 172.7 | 0 | 0 | 0 | 113.9 | E45 L48 A64 T70 | E45-L68 HydrophobicContact CB-CD1 3.74Å; E45-L68 HydrophobicContact CG-CB 4.22Å; E45-L68 HydrophobicContact CG-CD1 3.67Å; L48-L68 HydrophobicContact CD2-CD1 3.8Å; A64-L68 VanDerWaalsContact O-CB 3.3Å; A64-L68 WeakPolarHBondContact O-CB 3.47Å; A64-L68 WeakPolarHBondContact O-CG 3.22Å; A64-L68 PolarHBondContact O-N 3.34Å; L68-T70 PolarHBondContact O-N 2.9Å |
| 69 | A | 83.1 | Confident | 86.2 | Confident | 30 Ų | 30 | 85.8 Ų | 85.8 | 25% | 0.248 | 42% | 0.423 | C | S | . | . | trans | -55.1 | 108.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | K65 D71 Q72 K77 | K65-A69 WeakPolarHBondContact O-CB 3.41Å; K65-A69 PolarHBondContact O-N 3.2Å; A69-D71 VanDerWaalsContact C-N 3.28Å; A69-D71 PolarHBondContact O-N 3.32Å; A69-Q72 HydrophobicContact CB-CG 4.35Å; A69-K77 WeakPolarHBondContact O-CE 3.4Å; A69-K77 PolarHBondContact O-NZ 3.22Å | ||
| 70 | T | 71.9 | Confident | 86.2 | Confident | 124 Ų | 124 | 81.2 Ų | 81.2 | 76% | 0.761 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -27.5 | -170.9 | -27 | 0 | 0 | 0 | 0 | 112.5 | L68 | L68-T70 PolarHBondContact O-N 2.9Š|
| 71 | D | 77.6 | Confident | 86.1 | Confident | 158 Ų | 158 | 83 Ų | 83 | 85% | 0.845 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -5.2 | -171.6 | -54.7 | -31.8 | 0 | 0 | 0 | 114 | A69 | A69-D71 VanDerWaalsContact C-N 3.28Å; A69-D71 PolarHBondContact O-N 3.32Å |
| 72 | Q | 77.4 | Confident | 86.1 | Confident | 73 Ų | 73 | 87 Ų | 87 | 34% | 0.341 | 44% | 0.436 | S | S | . | . | S | Bend | trans | -97.4 | 133 | -176.2 | -72.6 | -175.9 | -2.9 | 0 | 0 | 112.3 | A69 E76 K77 | A69-Q72 HydrophobicContact CB-CG 4.35Å; Q72-E76 HydrophobicContact CB-CB 4.2Å; Q72-K77 HydrophobicContact CB-CG 3.86Å; Q72-K77 WeakPolarHBondContact O-CE 3.45Å |
| 73 | D | 84.6 | Confident | 86.2 | Confident | 117 Ų | 117 | 86.2 Ų | 86.2 | 63% | 0.626 | 44% | 0.443 | S | S | * | . | trans | -62.9 | 156.2 | 170.6 | -77.3 | -31.5 | 0 | 0 | 0 | 111.5 | E75 E76 K77 | D73-E75 PolarHBondContact O-N 2.89Å; D73-E76 HydrophobicContact CB-CG 4.22Å; D73-E76 WeakPolarHBondContact O-CB 3.49Å; D73-E76 PolarHBondContact O-N 3.25Å; D73-K77 PolarHBondContact O-N 3.48Å | ||
| 74 | L | 84.5 | Confident | 86.1 | Confident | 139 Ų | 139 | 81 Ų | 81 | 73% | 0.728 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -56 | -37.4 | 179.8 | -173.4 | 67.4 | 0 | 0 | 0 | 111.9 | K77 T78 | L74-K77 PolarHBondContact O-N 2.86Å; L74-T78 VanDerWaalsContact O-CG2 3.29Å; L74-T78 WeakPolarHBondContact O-CG2 3.33Å; L74-T78 PolarHBondContact O-N 3.34Å; L74-T78 PolarHBondContact O-OG1 3.08Å |
| 75 | E | 85.6 | Confident | 86.1 | Confident | 140 Ų | 140 | 86.2 Ų | 86.2 | 65% | 0.654 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -66.1 | -38.6 | 176.1 | -66.1 | -169 | -179.3 | 0 | 0 | 112.6 | D73 T78 R79 | D73-E75 PolarHBondContact O-N 2.89Å; E75-T78 WeakPolarHBondContact CA-OG1 3.3Å; E75-T78 PolarHBondContact O-N 3.21Å; E75-T78 PolarHBondContact O-OG1 3.41Å; E75-R79 WeakPolarHBondContact O-CB 3.4Å; E75-R79 PolarHBondContact O-N 3.46Å |
| 76 | E | 86.6 | Confident | 86.1 | Confident | 89 Ų | 89 | 86.3 Ų | 86.3 | 42% | 0.416 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -68.3 | -42 | 176.9 | -62.8 | -172.7 | 156.7 | 0 | 0 | 111.1 | Q72 D73 T78 R79 A80 | Q72-E76 HydrophobicContact CB-CB 4.2Å; D73-E76 HydrophobicContact CB-CG 4.22Å; D73-E76 WeakPolarHBondContact O-CB 3.49Å; D73-E76 PolarHBondContact O-N 3.25Å; E76-T78 PolarHBondContact O-N 3.33Å; E76-R79 PolarHBondContact O-N 3.3Å; E76-A80 WeakPolarHBondContact O-CB 3.43Å; E76-A80 PolarHBondContact O-N 3.33Å |
| 77 | K | 88.4 | Confident | 86.1 | Confident | 43 Ų | 43 | 91.8 Ų | 91.8 | 19% | 0.187 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -59.4 | -46.3 | 174.3 | -69.9 | -178.5 | 177.3 | -179.6 | 0 | 111.6 | I67 A69 Q72 D73 L74 R79 A80 L81 | I67-K77 WeakPolarHBondContact O-CE 3.46Å; I67-K77 PolarHBondContact O-NZ 3.41Å; A69-K77 WeakPolarHBondContact O-CE 3.4Å; A69-K77 PolarHBondContact O-NZ 3.22Å; Q72-K77 HydrophobicContact CB-CG 3.86Å; Q72-K77 WeakPolarHBondContact O-CE 3.45Å; D73-K77 PolarHBondContact O-N 3.48Å; L74-K77 PolarHBondContact O-N 2.86Å; K77-R79 PolarHBondContact O-N 3.16Å; K77-A80 PolarHBondContact O-N 2.91Å; K77-L81 WeakPolarHBondContact O-CB 3.48Å; K77-L81 VanDerWaalsContact O-CG 3.3Å; K77-L81 WeakPolarHBondContact O-CG 3.45Å; K77-L81 PolarHBondContact O-N 3.41Å |
| 78 | T | 88.3 | Confident | 86.1 | Confident | 75 Ų | 75 | 91.9 Ų | 91.9 | 46% | 0.46 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 178.1 | 58.4 | 0 | 0 | 0 | 0 | 111.7 | L74 E75 E76 L81 M82 | L74-T78 VanDerWaalsContact O-CG2 3.29Å; L74-T78 WeakPolarHBondContact O-CG2 3.33Å; L74-T78 PolarHBondContact O-N 3.34Å; L74-T78 PolarHBondContact O-OG1 3.08Å; E75-T78 WeakPolarHBondContact CA-OG1 3.3Å; E75-T78 PolarHBondContact O-N 3.21Å; E75-T78 PolarHBondContact O-OG1 3.41Å; E76-T78 PolarHBondContact O-N 3.33Å; T78-L81 PolarHBondContact O-N 3.12Å; T78-M82 WeakPolarHBondContact O-CB 3.39Å; T78-M82 VanDerWaalsContact O-CG 3.32Å; T78-M82 WeakPolarHBondContact O-CG 3.4Å; T78-M82 PolarHBondContact O-N 2.92Å |
| 79 | R | 91.3 | Very high | 86.4 | Confident | 168 Ų | 168 | 94.6 Ų | 94.6 | 63% | 0.634 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.6 | -45.8 | 175.1 | -168.2 | -177.7 | -61.2 | 164.8 | 3.8 | 111.8 | E75 E76 K77 L81 M82 A83 | E75-R79 WeakPolarHBondContact O-CB 3.4Å; E75-R79 PolarHBondContact O-N 3.46Å; E76-R79 PolarHBondContact O-N 3.3Å; K77-R79 PolarHBondContact O-N 3.16Å; R79-L81 PolarHBondContact O-N 3.04Å; R79-M82 PolarHBondContact O-N 3.26Å; R79-A83 WeakPolarHBondContact O-CB 3.4Å; R79-A83 PolarHBondContact O-N 2.92Å |
| 80 | A | 88.9 | Confident | 86.6 | Confident | 29 Ų | 29 | 96.1 Ų | 96.1 | 24% | 0.24 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | I66 E76 K77 M82 A83 L84 | I66-A80 HydrophobicContact CD1-CB 4.28Å; I66-A80 HydrophobicContact CG1-CB 4.4Å; I66-A80 HydrophobicContact CG2-CB 3.58Å; E76-A80 WeakPolarHBondContact O-CB 3.43Å; E76-A80 PolarHBondContact O-N 3.33Å; K77-A80 PolarHBondContact O-N 2.91Å; A80-M82 PolarHBondContact O-N 3.22Å; A80-A83 PolarHBondContact O-N 2.82Å; A80-L84 WeakPolarHBondContact O-CB 3.3Å; A80-L84 PolarHBondContact O-N 3.14Å |
| 81 | L | 89.9 | Confident | 87.4 | Confident | 51 Ų | 51 | 94.8 Ų | 94.8 | 27% | 0.267 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -63.6 | -39.8 | 175.1 | -72.3 | 175.1 | 0 | 0 | 0 | 112.4 | R63 I66 I67 K77 T78 R79 L84 K85 | R63-L81 HydrophobicContact CB-CD2 4.46Å; R63-L81 HydrophobicContact CG-CD2 4.21Å; I66-L81 HydrophobicContact CB-CD2 4.3Å; I66-L81 HydrophobicContact CD1-CD2 4.28Å; I66-L81 HydrophobicContact CG2-CD2 4.09Å; I66-L81 HydrophobicContact CG2-CG 3.98Å; I67-L81 HydrophobicContact CG1-CD1 4.33Å; I67-L81 HydrophobicContact CG1-CD2 4.46Å; K77-L81 WeakPolarHBondContact O-CB 3.48Å; K77-L81 VanDerWaalsContact O-CG 3.3Å; K77-L81 WeakPolarHBondContact O-CG 3.45Å; K77-L81 PolarHBondContact O-N 3.41Å; T78-L81 PolarHBondContact O-N 3.12Å; R79-L81 PolarHBondContact O-N 3.04Å; L81-L84 PolarHBondContact O-N 3.46Å; L81-K85 PolarHBondContact O-N 2.94Å |
| 82 | M | 91.1 | Very high | 87.8 | Confident | 124 Ų | 124 | 92.3 Ų | 92.3 | 61% | 0.611 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -67.3 | -44.1 | 176.7 | -73.6 | -65.3 | -80.1 | 0 | 0 | 111.7 | T78 R79 A80 L84 K85 Q86 | T78-M82 WeakPolarHBondContact O-CB 3.39Å; T78-M82 VanDerWaalsContact O-CG 3.32Å; T78-M82 WeakPolarHBondContact O-CG 3.4Å; T78-M82 PolarHBondContact O-N 2.92Å; R79-M82 PolarHBondContact O-N 3.26Å; A80-M82 PolarHBondContact O-N 3.22Å; M82-L84 VanDerWaalsContact C-N 3.3Å; M82-L84 PolarHBondContact O-N 3.13Å; M82-K85 WeakPolarHBondContact O-CB 3.37Å; M82-K85 PolarHBondContact O-N 3.42Å; M82-Q86 WeakPolarHBondContact O-CB 3.39Å; M82-Q86 PolarHBondContact O-N 3.01Å |
| 83 | A | 91.1 | Very high | 88.3 | Confident | 61 Ų | 61 | 93.3 Ų | 93.3 | 50% | 0.504 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.8 | -41.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R79 A80 K85 Q86 R87 | R79-A83 WeakPolarHBondContact O-CB 3.4Å; R79-A83 PolarHBondContact O-N 2.92Å; A80-A83 PolarHBondContact O-N 2.82Å; A83-K85 PolarHBondContact O-N 3.26Å; A83-Q86 PolarHBondContact O-N 2.94Å; A83-R87 WeakPolarHBondContact O-CB 3.48Å; A83-R87 PolarHBondContact O-N 3.25Å |
| 84 | L | 88.5 | Confident | 88.3 | Confident | 17 Ų | 17 | 92.8 Ų | 92.8 | 9% | 0.089 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -63 | -41.6 | 176.1 | -176.7 | 63.6 | 0 | 0 | 0 | 112.4 | E62 R63 I66 A80 L81 M82 R88 | E62-L84 HydrophobicContact CB-CD1 4.49Å; E62-L84 HydrophobicContact CB-CD2 4.03Å; E62-L84 WeakPolarHBondContact OE2-CD1 3.34Å; R63-L84 HydrophobicContact CG-CD2 3.87Å; I66-L84 HydrophobicContact CD1-CB 4.26Å; I66-L84 HydrophobicContact CD1-CD2 3.84Å; A80-L84 WeakPolarHBondContact O-CB 3.3Å; A80-L84 PolarHBondContact O-N 3.14Å; L81-L84 PolarHBondContact O-N 3.46Å; M82-L84 VanDerWaalsContact C-N 3.3Å; M82-L84 PolarHBondContact O-N 3.13Å; L84-R88 PolarHBondContact O-N 3Å; L84-R88 PolarHBondContact O-NE 3.5Å |
| 85 | K | 90.4 | Very high | 88.2 | Confident | 116 Ų | 116 | 93.2 Ų | 93.2 | 50% | 0.504 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.3 | -42.8 | 175.5 | -175.7 | -179.3 | 179.9 | -178.9 | 0 | 111 | L81 M82 A83 R88 K89 | L81-K85 PolarHBondContact O-N 2.94Å; M82-K85 WeakPolarHBondContact O-CB 3.37Å; M82-K85 PolarHBondContact O-N 3.42Å; A83-K85 PolarHBondContact O-N 3.26Å; K85-R88 PolarHBondContact O-N 3.42Å; K85-K89 PolarHBondContact O-N 2.94Å |
| 86 | Q | 90.1 | Very high | 88.1 | Confident | 93 Ų | 93 | 91.1 Ų | 91.1 | 44% | 0.435 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -64.8 | -49.5 | 179.7 | -172 | 57.7 | 29.1 | 0 | 0 | 111.4 | M82 A83 R88 K89 D90 | M82-Q86 WeakPolarHBondContact O-CB 3.39Å; M82-Q86 PolarHBondContact O-N 3.01Å; A83-Q86 PolarHBondContact O-N 2.94Å; Q86-R88 PolarHBondContact O-N 3.37Å; Q86-R88 VanDerWaalsContact O-N 3.12Å; Q86-K89 WeakPolarHBondContact O-CA 3.45Å; Q86-K89 WeakPolarHBondContact O-CB 3.36Å; Q86-K89 PolarHBondContact O-N 2.88Å; Q86-D90 PolarHBondContact NE2-OD1 3.03Å; Q86-D90 PolarHBondContact O-N 2.89Å |
| 87 | R | 88.4 | Confident | 87.7 | Confident | 145 Ų | 145 | 93.3 Ų | 93.3 | 55% | 0.547 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -53.4 | -37.9 | 176.5 | -172.5 | -178.3 | -173.4 | -165.4 | 4.2 | 112.8 | A83 K91 | A83-R87 WeakPolarHBondContact O-CB 3.48Å; A83-R87 PolarHBondContact O-N 3.25Å; R87-K91 WeakPolarHBondContact O-CG 3.49Å; R87-K91 PolarHBondContact O-N 3.28Å |
| 88 | R | 87.2 | Confident | 86.7 | Confident | 85 Ų | 85 | 97.7 Ų | 97.7 | 32% | 0.321 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.7 | -39.8 | 176.5 | -78.8 | -173.3 | -92.5 | 155.7 | -15.3 | 112.6 | L84 K85 Q86 L92 | L84-R88 PolarHBondContact O-N 3Å; L84-R88 PolarHBondContact O-NE 3.5Å; K85-R88 PolarHBondContact O-N 3.42Å; Q86-R88 PolarHBondContact O-N 3.37Å; Q86-R88 VanDerWaalsContact O-N 3.12Å; R88-L92 PolarHBondContact O-N 3.42Å |
| 89 | K | 88.6 | Confident | 85.4 | Confident | 110 Ų | 110 | 103.5 Ų | 103.5 | 48% | 0.478 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.1 | -44.8 | 174.1 | -69.1 | -179.2 | 173.8 | -174.3 | 0 | 110.9 | K85 Q86 K91 L92 L93 | K85-K89 PolarHBondContact O-N 2.94Å; Q86-K89 WeakPolarHBondContact O-CA 3.45Å; Q86-K89 WeakPolarHBondContact O-CB 3.36Å; Q86-K89 PolarHBondContact O-N 2.88Å; K89-K91 PolarHBondContact O-N 3.21Å; K89-L92 WeakPolarHBondContact O-CB 3.21Å; K89-L92 PolarHBondContact O-N 2.91Å; K89-L92 VanDerWaalsContact O-N 3.16Å; K89-L93 WeakPolarHBondContact O-CG 3.32Å; K89-L93 PolarHBondContact O-N 3.24Å |
| 90 | D | 88.1 | Confident | 83.9 | Confident | 62 Ų | 62 | 104.1 Ų | 104.1 | 33% | 0.332 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | -177.7 | -61 | -28.1 | 0 | 0 | 0 | 111.5 | Q86 L92 L93 Q94 | Q86-D90 PolarHBondContact NE2-OD1 3.03Å; Q86-D90 PolarHBondContact O-N 2.89Å; D90-L92 VanDerWaalsContact C-N 3.33Å; D90-L92 PolarHBondContact O-N 3.02Å; D90-L93 PolarHBondContact O-N 2.83Å; D90-Q94 WeakPolarHBondContact O-CG 3.49Å; D90-Q94 PolarHBondContact O-N 2.99Å |
| 91 | K | 87.9 | Confident | 82.5 | Confident | 95 Ų | 95 | 111.5 Ų | 111.5 | 41% | 0.413 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58 | -44.5 | 172.5 | -76.7 | -178.7 | 178.5 | -176 | 0 | 112 | R87 K89 L93 Q94 F95 | R87-K91 WeakPolarHBondContact O-CG 3.49Å; R87-K91 PolarHBondContact O-N 3.28Å; K89-K91 PolarHBondContact O-N 3.21Å; K91-L93 VanDerWaalsContact C-N 3.34Å; K91-L93 PolarHBondContact O-N 3.48Å; K91-Q94 WeakPolarHBondContact O-CB 3.44Å; K91-Q94 PolarHBondContact O-N 3.46Å; K91-F95 WeakPolarHBondContact O-CD2 3.5Å; K91-F95 PolarHBondContact O-N 3.37Å |
| 92 | L | 86.9 | Confident | 81 | Confident | 107 Ų | 107 | 113 Ų | 113 | 56% | 0.56 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.2 | -44.3 | 176.9 | 179.9 | 64.8 | 0 | 0 | 0 | 111.4 | R88 K89 D90 Q94 F95 L96 | R88-L92 PolarHBondContact O-N 3.42Å; K89-L92 WeakPolarHBondContact O-CB 3.21Å; K89-L92 PolarHBondContact O-N 2.91Å; K89-L92 VanDerWaalsContact O-N 3.16Å; D90-L92 VanDerWaalsContact C-N 3.33Å; D90-L92 PolarHBondContact O-N 3.02Å; L92-Q94 VanDerWaalsContact C-N 3.33Å; L92-Q94 PolarHBondContact O-N 3.47Å; L92-F95 PolarHBondContact O-N 3.49Å; L92-L96 HydrophobicContact CG-CD1 4.26Å; L92-L96 WeakPolarHBondContact O-CG 3.36Å; L92-L96 PolarHBondContact O-N 2.93Å |
| 93 | L | 87.1 | Confident | 79.6 | Confident | 93 Ų | 93 | 113.9 Ų | 113.9 | 49% | 0.487 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.3 | -38.7 | 176.2 | -68.6 | 175.1 | 0 | 0 | 0 | 112 | K89 D90 K91 L96 K97 | K89-L93 WeakPolarHBondContact O-CG 3.32Å; K89-L93 PolarHBondContact O-N 3.24Å; D90-L93 PolarHBondContact O-N 2.83Å; K91-L93 VanDerWaalsContact C-N 3.34Å; K91-L93 PolarHBondContact O-N 3.48Å; L93-L96 HydrophobicContact CD2-CD1 4.46Å; L93-L96 PolarHBondContact O-N 3.48Å; L93-K97 WeakPolarHBondContact O-CG 2.92Å; L93-K97 PolarHBondContact O-N 3.27Å |
| 94 | Q | 85.8 | Confident | 78.3 | Confident | 106 Ų | 106 | 119.8 Ų | 119.8 | 50% | 0.495 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -59.7 | -49.8 | 174.2 | -74 | 174.2 | 25.8 | 0 | 0 | 111 | D90 K91 L92 L96 K97 F98 | D90-Q94 WeakPolarHBondContact O-CG 3.49Å; D90-Q94 PolarHBondContact O-N 2.99Å; K91-Q94 WeakPolarHBondContact O-CB 3.44Å; K91-Q94 PolarHBondContact O-N 3.46Å; L92-Q94 VanDerWaalsContact C-N 3.33Å; L92-Q94 PolarHBondContact O-N 3.47Å; Q94-L96 VanDerWaalsContact C-N 3.3Å; Q94-L96 PolarHBondContact O-N 2.98Å; Q94-K97 WeakPolarHBondContact O-CB 3.36Å; Q94-K97 PolarHBondContact O-N 2.88Å; Q94-K97 VanDerWaalsContact O-N 3.11Å; Q94-F98 HydrophobicContact CB-CD2 4.39Å; Q94-F98 HydrophobicContact CB-CE2 4.05Å; Q94-F98 WeakPolarHBondContact O-CD2 3.46Å; Q94-F98 PolarHBondContact O-N 3.42Å |
| 95 | F | 83.1 | Confident | 76.9 | Confident | 149 Ų | 149 | 126.7 Ų | 126.7 | 65% | 0.654 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -58.1 | -41.4 | 176.1 | -72.9 | -63.6 | 0 | 0 | 0 | 112.9 | K91 L92 K97 F98 R99 | K91-F95 WeakPolarHBondContact O-CD2 3.5Å; K91-F95 PolarHBondContact O-N 3.37Å; L92-F95 PolarHBondContact O-N 3.49Å; F95-K97 VanDerWaalsContact C-N 3.34Å; F95-K97 PolarHBondContact O-N 2.97Å; F95-F98 PolarHBondContact O-N 3.25Å; F95-R99 PolarHBondContact O-N 2.84Å; F95-R99 VanDerWaalsContact O-N 3.16Å |
| 96 | L | 82.6 | Confident | 74.8 | Confident | 95 Ų | 95 | 132.9 Ų | 132.9 | 50% | 0.497 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -64.7 | -37.6 | 176.4 | -71.5 | 168.5 | 0 | 0 | 0 | 112.4 | L92 L93 Q94 | L92-L96 HydrophobicContact CG-CD1 4.26Å; L92-L96 WeakPolarHBondContact O-CG 3.36Å; L92-L96 PolarHBondContact O-N 2.93Å; L93-L96 HydrophobicContact CD2-CD1 4.46Å; L93-L96 PolarHBondContact O-N 3.48Å; Q94-L96 VanDerWaalsContact C-N 3.3Å; Q94-L96 PolarHBondContact O-N 2.98Å |
| 97 | K | 77.6 | Confident | 74.1 | Confident | 135 Ų | 135 | 134.9 Ų | 134.9 | 59% | 0.587 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66.5 | -45.8 | 174.3 | -74.2 | 179.7 | -179.3 | -173.9 | 0 | 111.2 | L93 Q94 F95 R99 K100 Y101 | L93-K97 WeakPolarHBondContact O-CG 2.92Å; L93-K97 PolarHBondContact O-N 3.27Å; Q94-K97 WeakPolarHBondContact O-CB 3.36Å; Q94-K97 PolarHBondContact O-N 2.88Å; Q94-K97 VanDerWaalsContact O-N 3.11Å; F95-K97 VanDerWaalsContact C-N 3.34Å; F95-K97 PolarHBondContact O-N 2.97Å; K97-R99 VanDerWaalsContact C-N 3.26Å; K97-R99 PolarHBondContact O-N 3.18Å; K97-K100 WeakPolarHBondContact O-CB 3.29Å; K97-K100 PolarHBondContact O-N 3.46Å; K97-Y101 HydrophobicContact CB-CE2 4.48Å; K97-Y101 WeakPolarHBondContact O-CD2 3.47Å |
| 98 | F | 67.7 | Low | 73.3 | Confident | 136 Ų | 136 | 134.3 Ų | 134.3 | 60% | 0.596 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -59.2 | -35.4 | 178.7 | -72.2 | -61.2 | 0 | 0 | 0 | 113 | Q94 F95 K100 Y101 S102 | Q94-F98 HydrophobicContact CB-CD2 4.39Å; Q94-F98 HydrophobicContact CB-CE2 4.05Å; Q94-F98 WeakPolarHBondContact O-CD2 3.46Å; Q94-F98 PolarHBondContact O-N 3.42Å; F95-F98 PolarHBondContact O-N 3.25Å; F98-K100 PolarHBondContact O-N 3.3Å; F98-Y101 PolarHBondContact O-N 3.4Å; F98-Y101 VanDerWaalsContact O-N 3.09Å; F98-S102 PolarHBondContact O-N 2.95Å |
| 99 | R | 61.1 | Low | 72.5 | Confident | 197 Ų | 197 | 137.1 Ų | 137.1 | 74% | 0.743 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.1 | -24.6 | 173.9 | -163.8 | 178 | -180 | -171.7 | 0.4 | 113.6 | F95 K97 S102 | F95-R99 PolarHBondContact O-N 2.84Å; F95-R99 VanDerWaalsContact O-N 3.16Å; K97-R99 VanDerWaalsContact C-N 3.26Å; K97-R99 PolarHBondContact O-N 3.18Å; R99-S102 PolarHBondContact O-OG 2.83Å |
| 100 | K | 59.5 | Low | 71.6 | Confident | 180 Ų | 180 | 138.6 Ų | 138.6 | 78% | 0.783 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -78 | -22.5 | 174.8 | -67.8 | -171.2 | 175 | -172.4 | 0 | 113.1 | K97 F98 | K97-K100 WeakPolarHBondContact O-CB 3.29Å; K97-K100 PolarHBondContact O-N 3.46Å; F98-K100 PolarHBondContact O-N 3.3Å |
| 101 | Y | 59.5 | Low | 70.6 | Confident | 185 Ų | 185 | 143.4 Ų | 143.4 | 73% | 0.725 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -94.5 | -8.6 | -179.7 | -63.5 | -74.5 | 0 | 0 | 0 | 113.5 | K97 F98 I103 | K97-Y101 HydrophobicContact CB-CE2 4.48Å; K97-Y101 WeakPolarHBondContact O-CD2 3.47Å; F98-Y101 PolarHBondContact O-N 3.4Å; F98-Y101 VanDerWaalsContact O-N 3.09Å; Y101-I103 PolarHBondContact O-N 2.99Å |
| 102 | S | 58.7 | Low | 69.4 | Low | 83 Ų | 83 | 146.7 Ų | 146.7 | 58% | 0.58 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -81.9 | 14.3 | -176.1 | 71.5 | 0 | 0 | 0 | 0 | 115.2 | F98 R99 | F98-S102 PolarHBondContact O-N 2.95Å; R99-S102 PolarHBondContact O-OG 2.83Å |
| 103 | I | 61.8 | Low | 68.2 | Low | 141 Ų | 141 | 149.5 Ų | 149.5 | 72% | 0.723 | 69% | 0.689 | S | S | * | * | trans | -130 | 69.7 | 179.7 | -46.4 | 173.2 | 0 | 0 | 0 | 109.1 | Y101 | Y101-I103 PolarHBondContact O-N 2.99Š| ||
| 104 | K | 63.9 | Low | 66.7 | Low | 186 Ų | 186 | 153.8 Ų | 153.8 | 81% | 0.809 | 70% | 0.704 | S | S | * | * | trans | -138.3 | 80.4 | 154.8 | -73.4 | -168.6 | -179.7 | -174.8 | 0 | 106.8 | ||||
| 105 | I | 58.8 | Low | 65.1 | Low | 162 Ų | 162 | 157.8 Ų | 157.8 | 83% | 0.831 | 72% | 0.722 | S | S | * | * | trans | -85.6 | 117.3 | 164.2 | -57.1 | 176.5 | 0 | 0 | 0 | 104.3 | ||||
| 106 | H | 47.1 | Very low | 63.5 | Low | 245 Ų | 245 | 158.6 Ų | 158.6 | 100% | 1.134 | 73% | 0.728 | S | S | * | * | trans | -73.1 | 0 | 170.2 | -82 | 18.5 | 0 | 0 | 0 | 109.9 |
Retrieved 106 of 106 residues in 39.9 ms
(Link to these results)