| 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 | 57.1 | Low | 62.4 | Low | 254 Ų | 254 | 138.9 Ų | 138.9 | 100% | 1.251 | 86% | 0.857 | S | S | * | * | 0 | 97 | 0 | -82.3 | 165.1 | 142.8 | 0 | 0 | 107.7 | |||||
| 2 | G | 59.9 | Low | 61.7 | Low | 73 Ų | 73 | 138.1 Ų | 138.1 | 75% | 0.753 | 85% | 0.851 | S | S | * | * | trans | -131.2 | 121.4 | 174 | 0 | 0 | 0 | 0 | 0 | 107.2 | T4 | G2-T4 PolarHBondContact O-N 3.29Š| ||
| 3 | C | 68.6 | Low | 61 | Low | 138 Ų | 138 | 135.5 Ų | 135.5 | 93% | 0.932 | 84% | 0.838 | S | S | * | * | trans | -82.5 | 112.5 | -179.9 | -54.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 4 | T | 64.7 | Low | 60.7 | Low | 142 Ų | 142 | 135.9 Ų | 135.9 | 87% | 0.871 | 83% | 0.831 | S | S | * | * | trans | -95.5 | 120 | 160.5 | 48.6 | 0 | 0 | 0 | 0 | 108 | G2 | G2-T4 PolarHBondContact O-N 3.29Š| ||
| 5 | S | 59.1 | Low | 60.1 | Low | 111 Ų | 111 | 137.1 Ų | 137.1 | 78% | 0.776 | 83% | 0.831 | S | S | * | * | trans | -146.9 | 106.1 | 167.7 | -170.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 6 | A | 69.6 | Low | 59.9 | Low | 99 Ų | 99 | 139 Ų | 139 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -98.5 | 125.8 | 162 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 7 | K | 66.6 | Low | 59.4 | Low | 186 Ų | 186 | 142.2 Ų | 142.2 | 81% | 0.809 | 83% | 0.832 | S | S | * | * | trans | -157.2 | 114.2 | 163.4 | -107.7 | 164.6 | -172.7 | -175.5 | 0 | 112.3 | ||||
| 8 | Q | 62.6 | Low | 59.2 | Low | 184 Ų | 184 | 138.4 Ų | 138.4 | 86% | 0.86 | 83% | 0.829 | S | S | * | * | trans | 76.1 | 114 | 147.8 | -61.4 | -176.6 | -72.1 | 0 | 0 | 120.1 | ||||
| 9 | V | 54.1 | Low | 58.8 | Low | 145 Ų | 145 | 142.9 Ų | 142.9 | 88% | 0.879 | 83% | 0.83 | S | S | * | * | trans | -75.3 | 118.6 | 154.9 | -179.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 10 | S | 62.2 | Low | 58.9 | Low | 112 Ų | 112 | 140 Ų | 140 | 78% | 0.783 | 83% | 0.832 | S | S | * | * | trans | -102.8 | 104.6 | 162.6 | 179.1 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 11 | A | 61.9 | Low | 58.8 | Low | 84 Ų | 84 | 140.5 Ų | 140.5 | 69% | 0.694 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 125.8 | 166.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||
| 12 | V | 53.6 | Low | 59 | Low | 129 Ų | 129 | 133.2 Ų | 133.2 | 78% | 0.782 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 130.3 | 167.5 | -176.7 | 0 | 0 | 0 | 0 | 107.1 | N14 | V12-N14 PolarHBondContact O-N 3.49Š|
| 13 | P | 53 | Low | 58.8 | Low | 105 Ų | 105 | 139.1 Ų | 139.1 | 68% | 0.682 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 134.8 | 174.3 | -18.4 | 30.8 | 0 | 0 | 0 | 110.4 | D15 | P13-D15 PolarHBondContact O-N 3.17Š|
| 14 | N | 56.4 | Low | 58.9 | Low | 140 Ų | 140 | 137.8 Ų | 137.8 | 75% | 0.749 | 80% | 0.797 | S | S | * | * | trans | -81 | 107.1 | 171.1 | -176.5 | -2.7 | 0 | 0 | 0 | 108.1 | V12 | V12-N14 PolarHBondContact O-N 3.49Š| ||
| 15 | D | 51.8 | Low | 58.5 | Low | 154 Ų | 154 | 138.7 Ų | 138.7 | 82% | 0.824 | 80% | 0.796 | S | S | * | * | trans | -94.2 | 93.1 | 166.1 | -72.9 | -53.7 | 0 | 0 | 0 | 108.5 | P13 E17 | P13-D15 PolarHBondContact O-N 3.17Å; D15-E17 PolarHBondContact O-N 3.43Å | ||
| 16 | E | 57 | Low | 58.3 | Low | 168 Ų | 168 | 136.2 Ų | 136.2 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | -74.3 | 108.8 | 157.7 | -77.3 | -134.8 | 128.5 | 0 | 0 | 108.8 | ||||
| 17 | E | 51 | Low | 57.7 | Low | 193 Ų | 193 | 136.5 Ų | 136.5 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | -160.3 | 105.2 | 150.2 | -116.7 | 152.5 | 173.1 | 0 | 0 | 113.9 | D15 | D15-E17 PolarHBondContact O-N 3.43Š| ||
| 18 | G | 56.6 | Low | 57.1 | Low | 75 Ų | 75 | 135 Ų | 135 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | 52.8 | 85.8 | 132.9 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 19 | R | 52 | Low | 56.8 | Low | 224 Ų | 224 | 135.4 Ų | 135.4 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | -141.5 | 98.6 | 144.4 | -81.5 | -161.4 | 179.5 | 178.6 | -0.1 | 110.6 | K21 | R19-K21 PolarHBondContact O-N 3.17Å; R19-K21 VanDerWaalsContact O-N 3.16Å | ||
| 20 | G | 59.8 | Low | 57 | Low | 84 Ų | 84 | 131.8 Ų | 131.8 | 87% | 0.866 | 75% | 0.752 | S | S | * | * | trans | -51 | 117.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | A22 | G20-A22 PolarHBondContact O-N 3.23Š| ||
| 21 | K | 57.8 | Low | 56.6 | Low | 151 Ų | 151 | 131.9 Ų | 131.9 | 66% | 0.657 | 74% | 0.744 | S | S | * | * | trans | -89.1 | 97.6 | 174.4 | -59.9 | -73.4 | -178.4 | 170.4 | 0 | 107.2 | R19 Y23 | R19-K21 PolarHBondContact O-N 3.17Å; R19-K21 VanDerWaalsContact O-N 3.16Å; K21-Y23 HydrophobicContact CB-CD2 4.15Å; K21-Y23 HydrophobicContact CB-CE2 3.61Å; K21-Y23 WeakPolarHBondContact O-CD2 3.37Å; K21-Y23 PolarHBondContact O-N 3.28Å | ||
| 22 | A | 61.4 | Low | 56.4 | Low | 101 Ų | 101 | 134.9 Ų | 134.9 | 84% | 0.835 | 74% | 0.744 | S | S | * | * | trans | -76 | 104.4 | 160.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | G20 S24 | G20-A22 PolarHBondContact O-N 3.23Å; A22-S24 PolarHBondContact O-N 3.36Å | ||
| 23 | Y | 55 | Low | 56.3 | Low | 196 Ų | 196 | 139 Ų | 139 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | trans | -75.5 | 101.5 | 171.8 | -64.8 | -91.5 | 0 | 0 | 0 | 108.1 | K21 | K21-Y23 HydrophobicContact CB-CD2 4.15Å; K21-Y23 HydrophobicContact CB-CE2 3.61Å; K21-Y23 WeakPolarHBondContact O-CD2 3.37Å; K21-Y23 PolarHBondContact O-N 3.28Å | ||
| 24 | S | 71.4 | Confident | 56.6 | Low | 111 Ų | 111 | 141.3 Ų | 141.3 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | -107 | 93.4 | 168.7 | -179.7 | 0 | 0 | 0 | 0 | 108.4 | A22 G26 | A22-S24 PolarHBondContact O-N 3.36Å; S24-G26 PolarHBondContact O-N 3.09Å | ||
| 25 | N | 55.1 | Low | 56.7 | Low | 160 Ų | 160 | 143.1 Ų | 143.1 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | trans | -84.2 | 86.8 | 168.2 | -69 | -32.6 | 0 | 0 | 0 | 108.2 | ||||
| 26 | G | 55.1 | Low | 56.9 | Low | 60 Ų | 60 | 144.6 Ų | 144.6 | 62% | 0.619 | 75% | 0.751 | S | S | * | * | trans | -89.7 | 118.1 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | S24 L28 | S24-G26 PolarHBondContact O-N 3.09Å; G26-L28 PolarHBondContact O-N 3.28Å | ||
| 27 | D | 56.3 | Low | 56.7 | Low | 105 Ų | 105 | 140 Ų | 140 | 56% | 0.561 | 75% | 0.749 | S | S | * | * | trans | -63.2 | 108.8 | 179 | 174.9 | 18.3 | 0 | 0 | 0 | 111.6 | Y29 S30 | D27-Y29 PolarHBondContact OD1-N 3.35Å; D27-S30 PolarHBondContact OD1-N 3.1Å; D27-S30 VanDerWaalsContact OD2-CB 3.31Å; D27-S30 WeakPolarHBondContact OD2-CB 3.48Å; D27-S30 PolarHBondContact OD2-OG 3.49Å | ||
| 28 | L | 55.2 | Low | 56.9 | Low | 154 Ų | 154 | 137.7 Ų | 137.7 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | trans | -97 | 8.3 | 175.2 | -138.7 | 80.8 | 0 | 0 | 0 | 112.4 | G26 | G26-L28 PolarHBondContact O-N 3.28Š| ||
| 29 | Y | 55.4 | Low | 57 | Low | 192 Ų | 192 | 142.6 Ų | 142.6 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -110.1 | -12.4 | -172 | -72 | -77.8 | 0 | 0 | 0 | 114 | D27 D31 | D27-Y29 PolarHBondContact OD1-N 3.35Å; Y29-D31 VanDerWaalsContact C-N 3.27Å; Y29-D31 PolarHBondContact O-N 2.75Å |
| 30 | S | 58.9 | Low | 57.6 | Low | 69 Ų | 69 | 140.7 Ų | 140.7 | 48% | 0.483 | 75% | 0.751 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.1 | -19.4 | 178.4 | -84.2 | 0 | 0 | 0 | 0 | 114.9 | D27 K34 | D27-S30 PolarHBondContact OD1-N 3.1Å; D27-S30 VanDerWaalsContact OD2-CB 3.31Å; D27-S30 WeakPolarHBondContact OD2-CB 3.48Å; D27-S30 PolarHBondContact OD2-OG 3.49Å; S30-K34 WeakPolarHBondContact O-CE 3.44Å |
| 31 | D | 54.3 | Low | 57.6 | Low | 114 Ų | 114 | 142.3 Ų | 142.3 | 61% | 0.61 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -22.6 | -172.7 | -83.8 | 2.5 | 0 | 0 | 0 | 115.1 | Y29 K34 | Y29-D31 VanDerWaalsContact C-N 3.27Å; Y29-D31 PolarHBondContact O-N 2.75Å; D31-K34 VanDerWaalsContact CA-CE 3.49Å; D31-K34 WeakPolarHBondContact O-CG 3.18Å; D31-K34 WeakPolarHBondContact OD1-CE 3.43Å; D31-K34 IonicContact OD1-NZ 3.46Å; D31-K34 PolarHBondContact OD1-NZ 3.3Å |
| 32 | E | 56.7 | Low | 58.3 | Low | 148 Ų | 148 | 144.5 Ų | 144.5 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -79.4 | -23 | -177.1 | -67 | 179 | 170.5 | 0 | 0 | 113.2 | K34 | E32-K34 PolarHBondContact O-N 3.46Š|
| 33 | Y | 52.9 | Low | 58.1 | Low | 216 Ų | 216 | 150 Ų | 150 | 85% | 0.847 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -81.6 | -11.9 | -173.3 | -132.8 | -92.3 | 0 | 0 | 0 | 114.5 | ||
| 34 | K | 58.1 | Low | 58.4 | Low | 152 Ų | 152 | 148.8 Ų | 148.8 | 66% | 0.661 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -93 | -5.9 | -177.7 | 30.8 | -172.3 | 169.2 | -179.5 | 0 | 114.6 | S30 D31 E32 | S30-K34 WeakPolarHBondContact O-CE 3.44Å; D31-K34 VanDerWaalsContact CA-CE 3.49Å; D31-K34 WeakPolarHBondContact O-CG 3.18Å; D31-K34 WeakPolarHBondContact OD1-CE 3.43Å; D31-K34 IonicContact OD1-NZ 3.46Å; D31-K34 PolarHBondContact OD1-NZ 3.3Å; E32-K34 PolarHBondContact O-N 3.46Å |
| 35 | M | 59.7 | Low | 58 | Low | 179 Ų | 179 | 155.5 Ų | 155.5 | 88% | 0.882 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -108.5 | -9.1 | -179.5 | -78.8 | -74.6 | -171.4 | 0 | 0 | 114.4 | ||
| 36 | K | 56.2 | Low | 58.2 | Low | 185 Ų | 185 | 150.8 Ų | 150.8 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -99.5 | 97.8 | -179.6 | -141.5 | 177.2 | -177.8 | -172.3 | 0 | 109.3 | V38 | K36-V38 PolarHBondContact O-N 3.05Š|
| 37 | G | 52.3 | Low | 58.2 | Low | 72 Ų | 72 | 153.1 Ų | 153.1 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | trans | -47.1 | 135.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E39 | G37-E39 PolarHBondContact O-N 3.28Š| ||
| 38 | V | 54.5 | Low | 58.2 | Low | 143 Ų | 143 | 155.8 Ų | 155.8 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | trans | -63 | 105.1 | 175.2 | 177.6 | 0 | 0 | 0 | 0 | 108.1 | K36 E40 | K36-V38 PolarHBondContact O-N 3.05Å; V38-E40 PolarHBondContact O-N 3.18Å | ||
| 39 | E | 59.6 | Low | 58.4 | Low | 178 Ų | 178 | 155.1 Ų | 155.1 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | trans | -75.4 | 119.2 | 170.7 | -168.5 | 170.7 | -172 | 0 | 0 | 108.2 | G37 V41 | G37-E39 PolarHBondContact O-N 3.28Å; E39-V41 PolarHBondContact O-N 3.12Å; E39-V41 VanDerWaalsContact O-N 3.11Å | ||
| 40 | E | 63.1 | Low | 58.6 | Low | 184 Ų | 184 | 155.6 Ų | 155.6 | 86% | 0.86 | 76% | 0.761 | S | S | * | * | trans | -65.9 | 110.3 | -178.7 | -63 | -159 | 129.4 | 0 | 0 | 110.6 | V38 K42 | V38-E40 PolarHBondContact O-N 3.18Å; E40-K42 PolarHBondContact O-N 3.38Å | ||
| 41 | V | 60.1 | Low | 58.6 | Low | 119 Ų | 119 | 156.9 Ų | 156.9 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | trans | -72.9 | 110.4 | 174.8 | -176.9 | 0 | 0 | 0 | 0 | 108.6 | E39 Y43 | E39-V41 PolarHBondContact O-N 3.12Å; E39-V41 VanDerWaalsContact O-N 3.11Å; V41-Y43 VanDerWaalsContact O-CD2 3.3Å; V41-Y43 WeakPolarHBondContact O-CD2 3.45Å; V41-Y43 PolarHBondContact O-N 3.23Å | ||
| 42 | K | 73.8 | Confident | 59 | Low | 197 Ų | 197 | 156.8 Ų | 156.8 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | trans | -57.7 | 102.3 | 176.7 | -176.1 | 178.4 | 179.6 | 179.1 | 0 | 110.8 | E40 | E40-K42 PolarHBondContact O-N 3.38Š| ||
| 43 | Y | 55.6 | Low | 59.2 | Low | 215 Ų | 215 | 153.6 Ų | 153.6 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | trans | -58 | 137.1 | 176.7 | -68.6 | -93 | 0 | 0 | 0 | 111.6 | V41 R45 | V41-Y43 VanDerWaalsContact O-CD2 3.3Å; V41-Y43 WeakPolarHBondContact O-CD2 3.45Å; V41-Y43 PolarHBondContact O-N 3.23Å; Y43-R45 PolarHBondContact O-N 2.99Å | ||
| 44 | M | 62.8 | Low | 59.9 | Low | 172 Ų | 172 | 152 Ų | 152 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | trans | -66.3 | 71.6 | 179.7 | -67.9 | -76.1 | -80 | 0 | 0 | 112 | G46 | M44-G46 PolarHBondContact O-N 2.85Š| ||
| 45 | R | 62.4 | Low | 60.5 | Low | 252 Ų | 252 | 149 Ų | 149 | 95% | 0.951 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | 93.4 | 165 | 175.9 | 168.9 | -97.7 | -149 | -6.1 | 107.8 | Y43 | Y43-R45 PolarHBondContact O-N 2.99Š|
| 46 | G | 59.6 | Low | 61.2 | Low | 61 Ų | 61 | 146.1 Ų | 146.1 | 63% | 0.629 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -162.1 | -33.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | M44 | M44-G46 PolarHBondContact O-N 2.85Š|
| 47 | D | 54 | Low | 61.7 | Low | 109 Ų | 109 | 141.5 Ų | 141.5 | 58% | 0.583 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -137 | 7.6 | -163.8 | -80.1 | -49.3 | 0 | 0 | 0 | 116.9 | N49 | D47-N49 PolarHBondContact O-N 3.11Š|
| 48 | E | 56.8 | Low | 62.4 | Low | 160 Ų | 160 | 142.4 Ų | 142.4 | 75% | 0.748 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -71.1 | -35.3 | -174.3 | -52.6 | -159.9 | 152.1 | 0 | 0 | 113.3 | R50 V51 N52 | E48-R50 PolarHBondContact O-N 3.41Å; E48-V51 PolarHBondContact O-N 3.13Å; E48-N52 PolarHBondContact O-N 3.19Å; E48-N52 VanDerWaalsContact O-N 3.16Å |
| 49 | N | 59.4 | Low | 63.1 | Low | 140 Ų | 140 | 140.8 Ų | 140.8 | 75% | 0.749 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -65.7 | -35.8 | -178.8 | -84.1 | 46.1 | 0 | 0 | 0 | 113 | D47 N52 T53 | D47-N49 PolarHBondContact O-N 3.11Å; N49-N52 PolarHBondContact O-N 2.96Å; N49-T53 PolarHBondContact O-N 3.18Å; N49-T53 PolarHBondContact O-OG1 3.21Å |
| 50 | R | 59.6 | Low | 63.5 | Low | 203 Ų | 203 | 137.9 Ų | 137.9 | 77% | 0.766 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -73.6 | -34.6 | -176.6 | -167.8 | 179.1 | -179.1 | -156.8 | 1.1 | 112 | E48 R54 | E48-R50 PolarHBondContact O-N 3.41Å; R50-R54 PolarHBondContact O-N 3.06Å |
| 51 | V | 60.1 | Low | 63.7 | Low | 95 Ų | 95 | 135.2 Ų | 135.2 | 58% | 0.576 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -71.1 | -39.1 | 176.4 | 179.7 | 0 | 0 | 0 | 0 | 110.4 | E48 R54 N55 | E48-V51 PolarHBondContact O-N 3.13Å; V51-R54 PolarHBondContact O-N 2.76Å; V51-N55 WeakPolarHBondContact O-CB 3.3Å; V51-N55 PolarHBondContact O-N 3.36Å |
| 52 | N | 62.1 | Low | 63.7 | Low | 112 Ų | 112 | 132.8 Ų | 132.8 | 60% | 0.599 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -61.8 | -47.7 | 178.8 | -164.4 | -7.8 | 0 | 0 | 0 | 112.3 | E48 N49 R54 N55 Q56 | E48-N52 PolarHBondContact O-N 3.19Å; E48-N52 VanDerWaalsContact O-N 3.16Å; N49-N52 PolarHBondContact O-N 2.96Å; N52-R54 PolarHBondContact O-N 3.17Å; N52-N55 PolarHBondContact O-N 3.36Å; N52-Q56 PolarHBondContact O-N 3.4Å |
| 53 | T | 61 | Low | 62.9 | Low | 82 Ų | 82 | 128.1 Ų | 128.1 | 50% | 0.503 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -59.6 | -45.1 | 176.3 | -51.4 | 0 | 0 | 0 | 0 | 112.2 | N49 N55 Q56 E57 | N49-T53 PolarHBondContact O-N 3.18Å; N49-T53 PolarHBondContact O-OG1 3.21Å; T53-N55 VanDerWaalsContact C-N 3.3Å; T53-N55 PolarHBondContact O-N 3.38Å; T53-Q56 PolarHBondContact O-N 3.18Å; T53-E57 PolarHBondContact O-N 3.06Å |
| 54 | R | 66.8 | Low | 63.1 | Low | 182 Ų | 182 | 123.1 Ų | 123.1 | 69% | 0.687 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.3 | -34.5 | 179.7 | -168 | 179.8 | 178.6 | 107.7 | -2.6 | 111.9 | R50 V51 N52 N58 | R50-R54 PolarHBondContact O-N 3.06Å; V51-R54 PolarHBondContact O-N 2.76Å; N52-R54 PolarHBondContact O-N 3.17Å; R54-N58 PolarHBondContact O-N 2.82Å; R54-N58 PolarHBondContact O-ND2 3.48Å |
| 55 | N | 70.4 | Confident | 62.9 | Low | 90 Ų | 90 | 120.6 Ų | 120.6 | 48% | 0.481 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.2 | -45 | 179.2 | -157.9 | -22.4 | 0 | 0 | 0 | 110.9 | V51 N52 T53 E57 N58 L59 | V51-N55 WeakPolarHBondContact O-CB 3.3Å; V51-N55 PolarHBondContact O-N 3.36Å; N52-N55 PolarHBondContact O-N 3.36Å; T53-N55 VanDerWaalsContact C-N 3.3Å; T53-N55 PolarHBondContact O-N 3.38Å; N55-E57 PolarHBondContact O-N 3.16Å; N55-N58 PolarHBondContact O-N 3.41Å; N55-L59 WeakPolarHBondContact O-CD1 3.39Å; N55-L59 PolarHBondContact O-N 3.4Å; N55-L59 VanDerWaalsContact OD1-CD1 3.25Å; N55-L59 WeakPolarHBondContact OD1-CD1 3.25Å |
| 56 | Q | 74.9 | Confident | 62.4 | Low | 118 Ų | 118 | 116.3 Ų | 116.3 | 55% | 0.551 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -57.7 | -45.7 | 176.4 | -170 | 172.5 | 47.3 | 0 | 0 | 112.3 | N52 T53 N58 L59 E60 | N52-Q56 PolarHBondContact O-N 3.4Å; T53-Q56 PolarHBondContact O-N 3.18Å; Q56-N58 VanDerWaalsContact C-N 3.27Å; Q56-N58 PolarHBondContact O-N 3.3Å; Q56-L59 PolarHBondContact O-N 3.5Å; Q56-E60 WeakPolarHBondContact O-CG 2.96Å; Q56-E60 PolarHBondContact O-N 3.27Å; Q56-E60 VanDerWaalsContact O-N 3.12Å |
| 57 | E | 66.6 | Low | 62 | Low | 88 Ų | 88 | 123 Ų | 123 | 41% | 0.411 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.2 | -30.9 | 176.4 | -69.5 | -174 | 86.3 | 0 | 0 | 113.4 | T53 N55 K61 | T53-E57 PolarHBondContact O-N 3.06Å; N55-E57 PolarHBondContact O-N 3.16Å; E57-K61 WeakPolarHBondContact O-CB 3.33Å; E57-K61 VanDerWaalsContact O-CD 3.3Å; E57-K61 WeakPolarHBondContact O-CD 3.39Å; E57-K61 WeakPolarHBondContact O-CG 2.93Å; E57-K61 PolarHBondContact O-N 3.48Å; E57-K61 IonicContact OE1-NZ 2.61Å; E57-K61 PolarHBondContact OE1-NZ 2.97Å |
| 58 | N | 67.8 | Low | 61.9 | Low | 90 Ų | 90 | 121.2 Ų | 121.2 | 48% | 0.481 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -75 | -34.4 | 177.4 | -84.6 | -80 | 0 | 0 | 0 | 112.1 | R54 N55 Q56 S62 | R54-N58 PolarHBondContact O-N 2.82Å; R54-N58 PolarHBondContact O-ND2 3.48Å; N55-N58 PolarHBondContact O-N 3.41Å; Q56-N58 VanDerWaalsContact C-N 3.27Å; Q56-N58 PolarHBondContact O-N 3.3Å; N58-S62 WeakPolarHBondContact O-CB 3.5Å; N58-S62 PolarHBondContact O-N 3.41Å; N58-S62 VanDerWaalsContact O-N 3.13Å; N58-S62 PolarHBondContact O-OG 3.36Å |
| 59 | L | 68.8 | Low | 61.6 | Low | 109 Ų | 109 | 120.4 Ų | 120.4 | 57% | 0.571 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65 | -41.5 | 172.8 | -91.7 | 108.3 | 0 | 0 | 0 | 111.9 | N55 Q56 S62 N63 | N55-L59 WeakPolarHBondContact O-CD1 3.39Å; N55-L59 PolarHBondContact O-N 3.4Å; N55-L59 VanDerWaalsContact OD1-CD1 3.25Å; N55-L59 WeakPolarHBondContact OD1-CD1 3.25Å; Q56-L59 PolarHBondContact O-N 3.5Å; L59-S62 PolarHBondContact O-OG 3.4Å; L59-N63 WeakPolarHBondContact O-CB 3.26Å; L59-N63 PolarHBondContact O-N 3.05Å; L59-N63 VanDerWaalsContact O-N 3.09Å |
| 60 | E | 67.7 | Low | 61.1 | Low | 118 Ų | 118 | 119.9 Ų | 119.9 | 55% | 0.551 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69.9 | -42.3 | -178.9 | -69 | 174.1 | 171 | 0 | 0 | 112.1 | Q56 N63 V64 | Q56-E60 WeakPolarHBondContact O-CG 2.96Å; Q56-E60 PolarHBondContact O-N 3.27Å; Q56-E60 VanDerWaalsContact O-N 3.12Å; E60-N63 PolarHBondContact O-N 3.48Å; E60-V64 PolarHBondContact O-N 3.33Å |
| 61 | K | 68.3 | Low | 60.4 | Low | 127 Ų | 127 | 119.2 Ų | 119.2 | 55% | 0.552 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.2 | -40.8 | 177.1 | -70.3 | 166.4 | -169.2 | 169.2 | 0 | 112.1 | E57 E65 | E57-K61 WeakPolarHBondContact O-CB 3.33Å; E57-K61 VanDerWaalsContact O-CD 3.3Å; E57-K61 WeakPolarHBondContact O-CD 3.39Å; E57-K61 WeakPolarHBondContact O-CG 2.93Å; E57-K61 PolarHBondContact O-N 3.48Å; E57-K61 IonicContact OE1-NZ 2.61Å; E57-K61 PolarHBondContact OE1-NZ 2.97Å; K61-E65 PolarHBondContact O-N 3.06Å |
| 62 | S | 60.1 | Low | 59.7 | Low | 69 Ų | 69 | 123.8 Ų | 123.8 | 48% | 0.483 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -70 | -33.3 | 177.8 | 57.1 | 0 | 0 | 0 | 0 | 112.8 | N58 L59 E65 Y66 | N58-S62 WeakPolarHBondContact O-CB 3.5Å; N58-S62 PolarHBondContact O-N 3.41Å; N58-S62 VanDerWaalsContact O-N 3.13Å; N58-S62 PolarHBondContact O-OG 3.36Å; L59-S62 PolarHBondContact O-OG 3.4Å; S62-E65 PolarHBondContact O-N 2.78Å; S62-Y66 WeakPolarHBondContact O-CB 3.39Å; S62-Y66 PolarHBondContact O-N 3.24Å; S62-Y66 VanDerWaalsContact O-N 3.1Å |
| 63 | N | 57.4 | Low | 59.1 | Low | 99 Ų | 99 | 127.6 Ų | 127.6 | 53% | 0.529 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -65.9 | -41.5 | 177.2 | -160.4 | -84.5 | 0 | 0 | 0 | 112.6 | L59 E60 Y66 R67 | L59-N63 WeakPolarHBondContact O-CB 3.26Å; L59-N63 PolarHBondContact O-N 3.05Å; L59-N63 VanDerWaalsContact O-N 3.09Å; E60-N63 PolarHBondContact O-N 3.48Å; N63-Y66 PolarHBondContact O-N 2.85Å; N63-R67 PolarHBondContact O-N 3.14Å |
| 64 | V | 59.5 | Low | 58.4 | Low | 109 Ų | 109 | 128.7 Ų | 128.7 | 66% | 0.661 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.7 | -40.7 | 178.2 | 173.6 | 0 | 0 | 0 | 0 | 111.3 | E60 Y66 R67 | E60-V64 PolarHBondContact O-N 3.33Å; V64-Y66 VanDerWaalsContact C-N 3.29Å; V64-Y66 PolarHBondContact O-N 3.23Å; V64-R67 PolarHBondContact O-N 3.47Å |
| 65 | E | 57.7 | Low | 57.2 | Low | 120 Ų | 120 | 123 Ų | 123 | 56% | 0.561 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.1 | -28.7 | 178.1 | -166.8 | 170.8 | 173.6 | 0 | 0 | 112.7 | K61 S62 K69 | K61-E65 PolarHBondContact O-N 3.06Å; S62-E65 PolarHBondContact O-N 2.78Å; E65-K69 IonicContact OE1-NZ 3Å; E65-K69 PolarHBondContact OE1-NZ 3.48Å |
| 66 | Y | 51.9 | Low | 56.3 | Low | 162 Ų | 162 | 123.5 Ų | 123.5 | 64% | 0.635 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -74.9 | -39.2 | 177.9 | -149.5 | -110 | 0 | 0 | 0 | 112.4 | S62 N63 V64 G68 K69 Q70 | S62-Y66 WeakPolarHBondContact O-CB 3.39Å; S62-Y66 PolarHBondContact O-N 3.24Å; S62-Y66 VanDerWaalsContact O-N 3.1Å; N63-Y66 PolarHBondContact O-N 2.85Å; V64-Y66 VanDerWaalsContact C-N 3.29Å; V64-Y66 PolarHBondContact O-N 3.23Å; Y66-G68 VanDerWaalsContact C-N 3.26Å; Y66-G68 PolarHBondContact O-N 3.31Å; Y66-K69 PolarHBondContact O-N 2.93Å; Y66-K69 VanDerWaalsContact O-N 3.17Å; Y66-Q70 HydrophobicContact CD1-CG 4.31Å; Y66-Q70 HydrophobicContact CE1-CG 4.48Å; Y66-Q70 WeakPolarHBondContact O-CG 3.48Å |
| 67 | R | 50.5 | Low | 55.3 | Low | 201 Ų | 201 | 123.8 Ų | 123.8 | 76% | 0.758 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -62.5 | -28.4 | 178.2 | -77.4 | -101.4 | -169.8 | -148.2 | 2 | 113.6 | N63 V64 K69 | N63-R67 PolarHBondContact O-N 3.14Å; V64-R67 PolarHBondContact O-N 3.47Å; R67-K69 VanDerWaalsContact C-N 3.35Å |
| 68 | G | 51.9 | Low | 54.3 | Low | 72 Ų | 72 | 124.8 Ų | 124.8 | 74% | 0.742 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -12.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y66 | Y66-G68 VanDerWaalsContact C-N 3.26Å; Y66-G68 PolarHBondContact O-N 3.31Å |
| 69 | K | 51.8 | Low | 53.7 | Low | 143 Ų | 143 | 127.5 Ų | 127.5 | 62% | 0.622 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -115.9 | 3 | -170.8 | -64.2 | 179 | -171.4 | 168.7 | 0 | 114.4 | E65 Y66 R67 Q71 | E65-K69 IonicContact OE1-NZ 3Å; E65-K69 PolarHBondContact OE1-NZ 3.48Å; Y66-K69 PolarHBondContact O-N 2.93Å; Y66-K69 VanDerWaalsContact O-N 3.17Å; R67-K69 VanDerWaalsContact C-N 3.35Å; K69-Q71 VanDerWaalsContact C-N 3.26Å; K69-Q71 PolarHBondContact O-N 2.79Å |
| 70 | Q | 47.8 | Very low | 53.3 | Low | 129 Ų | 129 | 131.7 Ų | 131.7 | 60% | 0.603 | 69% | 0.689 | S | S | * | * | trans | -81.7 | 15 | -176.7 | -66.3 | -145.2 | -36.6 | 0 | 0 | 115.7 | Y66 | Y66-Q70 HydrophobicContact CD1-CG 4.31Å; Y66-Q70 HydrophobicContact CE1-CG 4.48Å; Y66-Q70 WeakPolarHBondContact O-CG 3.48Å | ||
| 71 | Q | 46.4 | Very low | 52.9 | Low | 189 Ų | 189 | 130 Ų | 130 | 88% | 0.883 | 69% | 0.691 | S | S | * | * | trans | -103.4 | 61.8 | 172.1 | -155.3 | 179.2 | 18.4 | 0 | 0 | 111 | K69 | K69-Q71 VanDerWaalsContact C-N 3.26Å; K69-Q71 PolarHBondContact O-N 2.79Å | ||
| 72 | K | 44.8 | Very low | 52.1 | Low | 190 Ų | 190 | 129.7 Ų | 129.7 | 83% | 0.826 | 70% | 0.695 | S | S | * | * | trans | -169 | 82.3 | 154.2 | -109.1 | 172.7 | -177 | -178 | 0 | 108.3 | ||||
| 73 | E | 48.8 | Very low | 52.3 | Low | 193 Ų | 193 | 132.8 Ų | 132.8 | 90% | 0.902 | 71% | 0.705 | S | S | * | * | trans | -46.3 | 139.9 | 152.3 | -66.9 | 175.7 | 125.5 | 0 | 0 | 108.8 | ||||
| 74 | A | 45.8 | Very low | 52.7 | Low | 104 Ų | 104 | 135.8 Ų | 135.8 | 86% | 0.86 | 72% | 0.715 | S | S | * | * | trans | 107.6 | 32.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 75 | A | 43.3 | Very low | 53.3 | Low | 62 Ų | 62 | 132.6 Ų | 132.6 | 51% | 0.512 | 70% | 0.696 | S | S | . | * | trans | -127.3 | 20 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | T77 | A75-T77 PolarHBondContact O-N 3.3Š| ||
| 76 | A | 50.4 | Low | 54.7 | Low | 102 Ų | 102 | 129.2 Ų | 129.2 | 84% | 0.843 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -6.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 77 | T | 53.5 | Low | 56.4 | Low | 124 Ų | 124 | 129.4 Ų | 129.4 | 76% | 0.761 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.6 | -4.9 | -180 | 49.4 | 0 | 0 | 0 | 0 | 114.3 | A75 | A75-T77 PolarHBondContact O-N 3.3Š|
| 78 | N | 45.4 | Very low | 58.3 | Low | 108 Ų | 108 | 123.5 Ų | 123.5 | 58% | 0.578 | 68% | 0.682 | S | S | * | * | trans | -101.5 | 1.2 | -173.9 | -141.6 | -77 | 0 | 0 | 0 | 114.9 | K80 S81 | N78-K80 PolarHBondContact O-N 2.89Å; N78-S81 PolarHBondContact O-OG 3.24Å; N78-S81 VanDerWaalsContact O-OG 3.11Å; N78-S81 PolarHBondContact OD1-OG 3.05Å | ||
| 79 | I | 55.4 | Low | 60.2 | Low | 148 Ų | 148 | 124.3 Ų | 124.3 | 76% | 0.759 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 30.8 | 171.4 | -37 | -179.2 | 0 | 0 | 0 | 111.2 | ||
| 80 | K | 60.7 | Low | 62.1 | Low | 196 Ų | 196 | 123 Ų | 123 | 85% | 0.852 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | -3.9 | 174.2 | -75.6 | -174.2 | 176.3 | -178.1 | 0 | 112.8 | N78 | N78-K80 PolarHBondContact O-N 2.89Š|
| 81 | S | 59.5 | Low | 64.4 | Low | 84 Ų | 84 | 121.2 Ų | 121.2 | 59% | 0.587 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -98.3 | -1.1 | -158.4 | 55.6 | 0 | 0 | 0 | 0 | 117.1 | N78 | N78-S81 PolarHBondContact O-OG 3.24Å; N78-S81 VanDerWaalsContact O-OG 3.11Å; N78-S81 PolarHBondContact OD1-OG 3.05Å |
| 82 | N | 50.8 | Low | 66.7 | Low | 120 Ų | 120 | 117.9 Ų | 117.9 | 64% | 0.642 | 64% | 0.637 | S | S | * | * | trans | -157.2 | 24.7 | 178.8 | -148.9 | 41.8 | 0 | 0 | 0 | 118.4 | H84 | N82-H84 PolarHBondContact O-N 2.87Å; N82-H84 PolarHBondContact OD1-NE2 3.04Å | ||
| 83 | I | 64.4 | Low | 69.1 | Low | 134 Ų | 134 | 114.2 Ų | 114.2 | 69% | 0.687 | 62% | 0.621 | S | S | * | * | trans | -86.3 | 99.7 | 168.9 | -51.5 | -179.9 | 0 | 0 | 0 | 106.6 | T85 | I83-T85 HydrophobicContact CB-CG2 4.42Å; I83-T85 HydrophobicContact CG2-CG2 3.96Å; I83-T85 WeakPolarHBondContact O-CG2 3.46Å; I83-T85 PolarHBondContact O-N 3.28Å | ||
| 84 | H | 65.4 | Low | 71.2 | Confident | 161 Ų | 161 | 111.4 Ų | 111.4 | 75% | 0.745 | 60% | 0.603 | S | S | * | * | trans | -69.2 | 79.3 | 169.8 | -58.9 | -65.2 | 0 | 0 | 0 | 108.7 | N82 | N82-H84 PolarHBondContact O-N 2.87Å; N82-H84 PolarHBondContact OD1-NE2 3.04Å | ||
| 85 | T | 72.2 | Confident | 73.6 | Confident | 42 Ų | 42 | 112 Ų | 112 | 26% | 0.258 | 59% | 0.589 | S | S | . | * | trans | -74.7 | 130.2 | 168.2 | 113.4 | 0 | 0 | 0 | 0 | 107.1 | I83 Q89 Q90 | I83-T85 HydrophobicContact CB-CG2 4.42Å; I83-T85 HydrophobicContact CG2-CG2 3.96Å; I83-T85 WeakPolarHBondContact O-CG2 3.46Å; I83-T85 PolarHBondContact O-N 3.28Å; T85-Q89 VanDerWaalsContact CA-OE1 3.26Å; T85-Q89 VanDerWaalsContact CB-OE1 3.32Å; T85-Q90 PolarHBondContact O-NE2 3.5Å; T85-Q90 WeakPolarHBondContact OG1-CG 3.33Å | ||
| 86 | S | 88 | Confident | 76.1 | Confident | 50 Ų | 50 | 112.3 Ų | 112.3 | 35% | 0.35 | 58% | 0.582 | S | S | . | * | trans | -59.2 | 159.2 | 169.6 | 60.2 | 0 | 0 | 0 | 0 | 110.1 | S88 Q89 Q90 | S86-S88 PolarHBondContact O-N 3.01Å; S86-S88 PolarHBondContact OG-OG 3.41Å; S86-Q89 WeakPolarHBondContact O-CB 3.43Å; S86-Q89 PolarHBondContact O-N 2.88Å; S86-Q89 WeakPolarHBondContact OG-CG 3.43Å; S86-Q89 PolarHBondContact OG-N 3.43Å; S86-Q90 PolarHBondContact O-N 3.03Å; S86-Q90 VanDerWaalsContact O-N 3.13Å | ||
| 87 | E | 87.7 | Confident | 78 | Confident | 165 Ų | 165 | 112.5 Ų | 112.5 | 77% | 0.771 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -51.1 | -41.6 | 173.1 | -175.1 | 178.1 | -174.4 | 0 | 0 | 111.6 | Q89 Q90 E91 | E87-Q89 VanDerWaalsContact C-N 3.33Å; E87-Q89 PolarHBondContact O-N 3.2Å; E87-Q90 PolarHBondContact O-N 3.4Å; E87-E91 PolarHBondContact O-N 3.46Å |
| 88 | S | 90.8 | Very high | 80 | Confident | 78 Ų | 78 | 111 Ų | 111 | 55% | 0.545 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.6 | -34.4 | 175.4 | 60.9 | 0 | 0 | 0 | 0 | 114 | S86 E91 F92 | S86-S88 PolarHBondContact O-N 3.01Å; S86-S88 PolarHBondContact OG-OG 3.41Å; S88-E91 PolarHBondContact O-N 3.48Å; S88-F92 WeakPolarHBondContact O-CB 3.43Å; S88-F92 PolarHBondContact O-N 3.5Å |
| 89 | Q | 91.8 | Very high | 82.2 | Confident | 89 Ų | 89 | 113.2 Ų | 113.2 | 42% | 0.416 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.7 | -39.2 | 175.4 | -72.9 | 170.6 | 25.9 | 0 | 0 | 110.7 | T85 S86 E87 E91 F92 F93 | T85-Q89 VanDerWaalsContact CA-OE1 3.26Å; T85-Q89 VanDerWaalsContact CB-OE1 3.32Å; S86-Q89 WeakPolarHBondContact O-CB 3.43Å; S86-Q89 PolarHBondContact O-N 2.88Å; S86-Q89 WeakPolarHBondContact OG-CG 3.43Å; S86-Q89 PolarHBondContact OG-N 3.43Å; E87-Q89 VanDerWaalsContact C-N 3.33Å; E87-Q89 PolarHBondContact O-N 3.2Å; Q89-E91 VanDerWaalsContact C-N 3.32Å; Q89-E91 PolarHBondContact O-N 3.17Å; Q89-F92 PolarHBondContact O-N 3.29Å; Q89-F93 WeakPolarHBondContact O-CD2 3.47Å; Q89-F93 PolarHBondContact O-N 3.13Å |
| 90 | Q | 92.1 | Very high | 83.8 | Confident | 114 Ų | 114 | 110.5 Ų | 110.5 | 53% | 0.533 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.7 | -40.1 | 176 | -55.2 | -178.5 | 17.9 | 0 | 0 | 111.2 | T85 S86 E87 F93 R94 | T85-Q90 PolarHBondContact O-NE2 3.5Å; T85-Q90 WeakPolarHBondContact OG1-CG 3.33Å; S86-Q90 PolarHBondContact O-N 3.03Å; S86-Q90 VanDerWaalsContact O-N 3.13Å; E87-Q90 PolarHBondContact O-N 3.4Å; Q90-F93 PolarHBondContact O-N 3.35Å; Q90-R94 WeakPolarHBondContact O-CB 3.48Å; Q90-R94 PolarHBondContact O-N 3.22Å |
| 91 | E | 94.4 | Very high | 85.2 | Confident | 93 Ų | 93 | 107.8 Ų | 107.8 | 44% | 0.435 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.7 | -41.6 | 175.4 | 175.1 | 155 | -124.6 | 0 | 0 | 113.1 | E87 S88 Q89 F93 R94 M95 | E87-E91 PolarHBondContact O-N 3.46Å; S88-E91 PolarHBondContact O-N 3.48Å; Q89-E91 VanDerWaalsContact C-N 3.32Å; Q89-E91 PolarHBondContact O-N 3.17Å; E91-F93 PolarHBondContact O-N 3.38Å; E91-R94 VanDerWaalsContact CB-NH2 3.3Å; E91-R94 VanDerWaalsContact CD-NH2 3.32Å; E91-R94 PolarHBondContact O-N 2.98Å; E91-R94 IonicContact OE1-NH2 2.64Å; E91-R94 PolarHBondContact OE1-NH2 3.49Å; E91-M95 WeakPolarHBondContact O-CB 3.32Å; E91-M95 PolarHBondContact O-N 3.36Å |
| 92 | F | 95.4 | Very high | 86.5 | Confident | 118 Ų | 118 | 109.4 Ų | 109.4 | 52% | 0.518 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.6 | -46.7 | 175.5 | 176.3 | -107 | 0 | 0 | 0 | 111.8 | S88 Q89 M95 L96 | S88-F92 WeakPolarHBondContact O-CB 3.43Å; S88-F92 PolarHBondContact O-N 3.5Å; Q89-F92 PolarHBondContact O-N 3.29Å; F92-M95 PolarHBondContact O-N 2.96Å; F92-L96 HydrophobicContact CD1-CD1 3.89Å; F92-L96 HydrophobicContact CD1-CG 4.46Å; F92-L96 HydrophobicContact CE1-CD1 3.33Å; F92-L96 HydrophobicContact CE1-CG 4.1Å; F92-L96 HydrophobicContact CE2-CD1 4.33Å; F92-L96 HydrophobicContact CE2-CD2 4.4Å; F92-L96 HydrophobicContact CE2-CG 4.26Å; F92-L96 HydrophobicContact CZ-CD1 3.59Å; F92-L96 HydrophobicContact CZ-CD2 4.18Å; F92-L96 HydrophobicContact CZ-CG 3.99Å; F92-L96 WeakPolarHBondContact O-CG 3.35Å; F92-L96 PolarHBondContact O-N 3.18Å |
| 93 | F | 94.4 | Very high | 87.8 | Confident | 113 Ų | 113 | 105 Ų | 105 | 50% | 0.496 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.7 | -40.4 | 177.2 | -68.5 | -63.6 | 0 | 0 | 0 | 112.5 | Q89 Q90 E91 M95 L96 D97 | Q89-F93 WeakPolarHBondContact O-CD2 3.47Å; Q89-F93 PolarHBondContact O-N 3.13Å; Q90-F93 PolarHBondContact O-N 3.35Å; E91-F93 PolarHBondContact O-N 3.38Å; F93-M95 VanDerWaalsContact C-N 3.31Å; F93-M95 PolarHBondContact O-N 2.93Å; F93-L96 HydrophobicContact CD1-CD1 4.21Å; F93-L96 WeakPolarHBondContact O-CB 3.43Å; F93-L96 PolarHBondContact O-N 3.47Å; F93-D97 VanDerWaalsContact O-CG 3.3Å; F93-D97 PolarHBondContact O-N 2.94Å |
| 94 | R | 93.4 | Very high | 87.9 | Confident | 135 Ų | 135 | 106.6 Ų | 106.6 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.6 | -43.1 | 173.8 | 178.9 | 178.5 | 60.9 | -110.2 | 6.5 | 112 | Q90 E91 D97 E98 | Q90-R94 WeakPolarHBondContact O-CB 3.48Å; Q90-R94 PolarHBondContact O-N 3.22Å; E91-R94 VanDerWaalsContact CB-NH2 3.3Å; E91-R94 VanDerWaalsContact CD-NH2 3.32Å; E91-R94 PolarHBondContact O-N 2.98Å; E91-R94 IonicContact OE1-NH2 2.64Å; E91-R94 PolarHBondContact OE1-NH2 3.49Å; R94-D97 PolarHBondContact O-N 2.9Å; R94-E98 WeakPolarHBondContact O-CB 3.3Å; R94-E98 PolarHBondContact O-N 3Å |
| 95 | M | 96.2 | Very high | 88 | Confident | 116 Ų | 116 | 104.1 Ų | 104.1 | 57% | 0.571 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.5 | -38.4 | 177.4 | -173.6 | -178.5 | -64.8 | 0 | 0 | 112 | E91 F92 F93 E98 K99 | E91-M95 WeakPolarHBondContact O-CB 3.32Å; E91-M95 PolarHBondContact O-N 3.36Å; F92-M95 PolarHBondContact O-N 2.96Å; F93-M95 VanDerWaalsContact C-N 3.31Å; F93-M95 PolarHBondContact O-N 2.93Å; M95-E98 PolarHBondContact O-N 3.18Å; M95-K99 WeakPolarHBondContact O-CB 3.32Å; M95-K99 PolarHBondContact O-N 3.11Å |
| 96 | L | 95.1 | Very high | 87.4 | Confident | 69 Ų | 69 | 110.4 Ų | 110.4 | 36% | 0.361 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 173.4 | -75.2 | 179 | 0 | 0 | 0 | 111.5 | F92 F93 E98 K99 I100 | F92-L96 HydrophobicContact CD1-CD1 3.89Å; F92-L96 HydrophobicContact CD1-CG 4.46Å; F92-L96 HydrophobicContact CE1-CD1 3.33Å; F92-L96 HydrophobicContact CE1-CG 4.1Å; F92-L96 HydrophobicContact CE2-CD1 4.33Å; F92-L96 HydrophobicContact CE2-CD2 4.4Å; F92-L96 HydrophobicContact CE2-CG 4.26Å; F92-L96 HydrophobicContact CZ-CD1 3.59Å; F92-L96 HydrophobicContact CZ-CD2 4.18Å; F92-L96 HydrophobicContact CZ-CG 3.99Å; F92-L96 WeakPolarHBondContact O-CG 3.35Å; F92-L96 PolarHBondContact O-N 3.18Å; F93-L96 HydrophobicContact CD1-CD1 4.21Å; F93-L96 WeakPolarHBondContact O-CB 3.43Å; F93-L96 PolarHBondContact O-N 3.47Å; L96-E98 VanDerWaalsContact C-N 3.34Å; L96-E98 PolarHBondContact O-N 2.98Å; L96-K99 PolarHBondContact O-N 3.03Å; L96-K99 VanDerWaalsContact O-N 3.14Å; L96-I100 VanDerWaalsContact O-CG1 3.26Å; L96-I100 WeakPolarHBondContact O-CG1 3.41Å; L96-I100 PolarHBondContact O-N 3.48Å |
| 97 | D | 92.3 | Very high | 86.1 | Confident | 105 Ų | 105 | 113.7 Ų | 113.7 | 56% | 0.561 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.8 | -44.8 | 178.3 | -69.6 | -24.7 | 0 | 0 | 0 | 110.9 | F93 R94 K99 I100 E101 | F93-D97 VanDerWaalsContact O-CG 3.3Å; F93-D97 PolarHBondContact O-N 2.94Å; R94-D97 PolarHBondContact O-N 2.9Å; D97-K99 VanDerWaalsContact C-N 3.31Å; D97-K99 PolarHBondContact O-N 2.97Å; D97-I100 PolarHBondContact O-N 3.47Å; D97-E101 WeakPolarHBondContact O-CB 3.44Å; D97-E101 PolarHBondContact O-N 2.64Å |
| 98 | E | 93.9 | Very high | 84.7 | Confident | 92 Ų | 92 | 109.7 Ų | 109.7 | 43% | 0.43 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.7 | -40.7 | 174.1 | -174 | -172.1 | 156.5 | 0 | 0 | 111.9 | R94 M95 L96 K102 | R94-E98 WeakPolarHBondContact O-CB 3.3Å; R94-E98 PolarHBondContact O-N 3Å; M95-E98 PolarHBondContact O-N 3.18Å; L96-E98 VanDerWaalsContact C-N 3.34Å; L96-E98 PolarHBondContact O-N 2.98Å; E98-K102 HydrophobicContact CG-CD 4.21Å; E98-K102 WeakPolarHBondContact O-CB 3.48Å; E98-K102 WeakPolarHBondContact O-CG 3.43Å; E98-K102 PolarHBondContact O-N 2.54Å; E98-K102 WeakPolarHBondContact OE1-CE 3.32Å; E98-K102 IonicContact OE1-NZ 2.75Å; E98-K102 PolarHBondContact OE1-NZ 3.32Å |
| 99 | K | 92.6 | Very high | 83 | Confident | 156 Ų | 156 | 113.1 Ų | 113.1 | 68% | 0.678 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.5 | -35.7 | 178.4 | -168.9 | 66.3 | 170 | -176.5 | 0 | 112.1 | M95 L96 D97 G103 | M95-K99 WeakPolarHBondContact O-CB 3.32Å; M95-K99 PolarHBondContact O-N 3.11Å; L96-K99 PolarHBondContact O-N 3.03Å; L96-K99 VanDerWaalsContact O-N 3.14Å; D97-K99 VanDerWaalsContact C-N 3.31Å; D97-K99 PolarHBondContact O-N 2.97Å; K99-G103 PolarHBondContact O-N 2.61Å |
| 100 | I | 89.7 | Confident | 81.2 | Confident | 90 Ų | 90 | 117.6 Ų | 117.6 | 46% | 0.462 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.8 | -47.4 | 175.2 | -69.3 | 163.2 | 0 | 0 | 0 | 109.7 | L96 D97 G103 R104 | L96-I100 VanDerWaalsContact O-CG1 3.26Å; L96-I100 WeakPolarHBondContact O-CG1 3.41Å; L96-I100 PolarHBondContact O-N 3.48Å; D97-I100 PolarHBondContact O-N 3.47Å; I100-G103 CarbonylContact O-C 3.55Å; I100-G103 WeakPolarHBondContact O-CA 2.89Å; I100-G103 PolarHBondContact O-N 3.05Å; I100-R104 WeakPolarHBondContact O-CG 3.42Å; I100-R104 PolarHBondContact O-N 3.24Å |
| 101 | E | 88.1 | Confident | 79.5 | Confident | 140 Ų | 140 | 120.9 Ų | 120.9 | 65% | 0.654 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -58.5 | -50.3 | 179.2 | -172.7 | 168.3 | -141.9 | 0 | 0 | 111.3 | D97 G103 R104 | D97-E101 WeakPolarHBondContact O-CB 3.44Å; D97-E101 PolarHBondContact O-N 2.64Å; E101-G103 PolarHBondContact O-N 3.45Å; E101-R104 PolarHBondContact O-N 2.9Å |
| 102 | K | 86.9 | Confident | 77.8 | Confident | 118 Ų | 118 | 125.5 Ų | 125.5 | 51% | 0.513 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.7 | -24.5 | 173.6 | -69.6 | 174.9 | 177.1 | 175.6 | 0 | 113.7 | E98 Y106 | E98-K102 HydrophobicContact CG-CD 4.21Å; E98-K102 WeakPolarHBondContact O-CB 3.48Å; E98-K102 WeakPolarHBondContact O-CG 3.43Å; E98-K102 PolarHBondContact O-N 2.54Å; E98-K102 WeakPolarHBondContact OE1-CE 3.32Å; E98-K102 IonicContact OE1-NZ 2.75Å; E98-K102 PolarHBondContact OE1-NZ 3.32Å; K102-Y106 WeakPolarHBondContact O-CD2 3.31Å; K102-Y106 WeakPolarHBondContact O-CE2 3.4Å |
| 103 | G | 78.5 | Confident | 75.9 | Confident | 28 Ų | 28 | 129 Ų | 129 | 29% | 0.289 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -79.6 | -19.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K99 I100 E101 D105 Y106 | K99-G103 PolarHBondContact O-N 2.61Å; I100-G103 CarbonylContact O-C 3.55Å; I100-G103 WeakPolarHBondContact O-CA 2.89Å; I100-G103 PolarHBondContact O-N 3.05Å; E101-G103 PolarHBondContact O-N 3.45Å; G103-D105 VanDerWaalsContact C-N 3.33Å; G103-Y106 PolarHBondContact O-N 3.3Å |
| 104 | R | 66.7 | Low | 73.8 | Confident | 167 Ų | 167 | 131.7 Ų | 131.7 | 63% | 0.63 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -68.4 | -33.2 | -179.9 | -72.9 | 179.7 | -164.3 | -96.3 | 1.5 | 112.5 | I100 E101 Y106 C107 S108 | I100-R104 WeakPolarHBondContact O-CG 3.42Å; I100-R104 PolarHBondContact O-N 3.24Å; E101-R104 PolarHBondContact O-N 2.9Å; R104-Y106 VanDerWaalsContact C-N 3.33Å; R104-Y106 PolarHBondContact O-N 3.25Å; R104-C107 PolarHBondContact O-N 3.23Å; R104-S108 PolarHBondContact O-N 3.47Å; R104-S108 PolarHBondContact O-OG 3.45Å |
| 105 | D | 67.9 | Low | 72 | Confident | 109 Ų | 109 | 128.5 Ų | 128.5 | 58% | 0.583 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -64.2 | -40.1 | 179.5 | -59.2 | -26.3 | 0 | 0 | 0 | 110.7 | G103 C107 S108 E109 | G103-D105 VanDerWaalsContact C-N 3.33Å; D105-C107 VanDerWaalsContact C-N 3.31Å; D105-C107 PolarHBondContact O-N 3.31Å; D105-S108 PolarHBondContact O-N 3.16Å; D105-E109 PolarHBondContact O-N 3.47Å |
| 106 | Y | 60.4 | Low | 69.6 | Low | 174 Ų | 174 | 133.5 Ų | 133.5 | 68% | 0.682 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -62.5 | -32.8 | 175.3 | -67.1 | -86.9 | 0 | 0 | 0 | 113.9 | K102 G103 R104 S108 | K102-Y106 WeakPolarHBondContact O-CD2 3.31Å; K102-Y106 WeakPolarHBondContact O-CE2 3.4Å; G103-Y106 PolarHBondContact O-N 3.3Å; R104-Y106 VanDerWaalsContact C-N 3.33Å; R104-Y106 PolarHBondContact O-N 3.25Å; Y106-S108 PolarHBondContact O-N 3.46Å |
| 107 | C | 59.5 | Low | 68.4 | Low | 118 Ų | 118 | 136.8 Ų | 136.8 | 80% | 0.797 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | -5.7 | 177.1 | -82.5 | 0 | 0 | 0 | 0 | 113.3 | R104 D105 | R104-C107 PolarHBondContact O-N 3.23Å; D105-C107 VanDerWaalsContact C-N 3.31Å; D105-C107 PolarHBondContact O-N 3.31Å |
| 108 | S | 59.7 | Low | 67.1 | Low | 81 Ų | 81 | 138.4 Ų | 138.4 | 57% | 0.566 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | -12.6 | -175.5 | -45.6 | 0 | 0 | 0 | 0 | 112.7 | R104 D105 Y106 E110 | R104-S108 PolarHBondContact O-N 3.47Å; R104-S108 PolarHBondContact O-OG 3.45Å; D105-S108 PolarHBondContact O-N 3.16Å; Y106-S108 PolarHBondContact O-N 3.46Å; S108-E110 VanDerWaalsContact C-N 3.28Å; S108-E110 PolarHBondContact O-N 3.44Å |
| 109 | E | 54.8 | Low | 65.6 | Low | 150 Ų | 150 | 141 Ų | 141 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -0.6 | -176.5 | -75.9 | 178.7 | 142.2 | 0 | 0 | 114.3 | D105 | D105-E109 PolarHBondContact O-N 3.47Š|
| 110 | E | 53.8 | Low | 64 | Low | 183 Ų | 183 | 140.1 Ų | 140.1 | 86% | 0.855 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104 | 5.8 | -179.9 | -61 | -167.5 | 168.7 | 0 | 0 | 115 | S108 | S108-E110 VanDerWaalsContact C-N 3.28Å; S108-E110 PolarHBondContact O-N 3.44Å |
| 111 | E | 56.1 | Low | 62.4 | Low | 183 Ų | 183 | 143.3 Ų | 143.3 | 86% | 0.855 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -104.4 | 4.8 | -179.3 | -67.6 | -161.5 | 166.7 | 0 | 0 | 115.9 | ||
| 112 | E | 58.2 | Low | 60.7 | Low | 191 Ų | 191 | 143.5 Ų | 143.5 | 89% | 0.893 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -118.6 | 34.1 | -177.4 | -69.2 | -109.4 | 160 | 0 | 0 | 114.2 | ||
| 113 | E | 56.4 | Low | 58.8 | Low | 191 Ų | 191 | 145.3 Ų | 145.3 | 89% | 0.893 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -142.3 | 55.1 | 170.4 | -157.2 | -177.7 | -173.7 | 0 | 0 | 113.3 | ||
| 114 | D | 50.3 | Low | 57.3 | Low | 169 Ų | 169 | 154.3 Ų | 154.3 | 90% | 0.904 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -159.3 | 90 | 152 | -166.3 | 13.9 | 0 | 0 | 0 | 110.5 | ||
| 115 | G | 55.9 | Low | 56.6 | Low | 69 Ų | 69 | 153.3 Ų | 153.3 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | trans | 170.8 | 45.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 116 | T | 45.8 | Very low | 55.5 | Low | 221 Ų | 221 | 157.3 Ų | 157.3 | 100% | 1.356 | 84% | 0.838 | S | S | * | * | trans | -154.8 | 0 | 148.9 | 53.9 | 0 | 0 | 0 | 0 | 111.7 |
Retrieved 116 of 116 residues in 107.5 ms
(Link to these results)