| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.5 | Very low | 33.4 | Very low | 216 Ų | 216 | 135.5 Ų | 135.5 | 100% | 1.064 | 82% | 0.818 | S | S | * | * | 0 | 79.5 | 0 | -70.3 | 178.6 | 173.8 | 0 | 0 | 108.5 | |||||
| 2 | E | 34.5 | Very low | 33.4 | Very low | 175 Ų | 175 | 137.4 Ų | 137.4 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | cis | 55.8 | 99.2 | 24.7 | -57.7 | 158.2 | 112.3 | 0 | 0 | 112.7 | ||||
| 3 | V | 35.7 | Very low | 33.4 | Very low | 134 Ų | 134 | 143.2 Ų | 143.2 | 81% | 0.812 | 81% | 0.811 | S | S | * | * | -171.9 | 117.4 | 104.1 | -83.4 | 0 | 0 | 0 | 0 | 105.4 | |||||
| 4 | E | 33.7 | Very low | 32.9 | Very low | 164 Ų | 164 | 137.5 Ų | 137.5 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | 76.2 | 128.3 | 68.4 | -76.1 | -152.7 | 120 | 0 | 0 | 115.8 | |||||
| 5 | E | 34.3 | Very low | 32.7 | Very low | 168 Ų | 168 | 139.3 Ų | 139.3 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | 63.6 | 157.6 | 153.4 | -71.2 | -163.3 | 76.6 | 0 | 0 | 119.8 | ||||
| 6 | S | 33.6 | Very low | 32.8 | Very low | 103 Ų | 103 | 138 Ų | 138 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | cis | -151.5 | 163.9 | 7.3 | 7.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 7 | L | 34.8 | Very low | 32.9 | Very low | 168 Ų | 168 | 137.2 Ų | 137.2 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | trans | -80.4 | 158.5 | 160.6 | -61.3 | 96.5 | 0 | 0 | 0 | 110.6 | ||||
| 8 | S | 31.8 | Very low | 32.8 | Very low | 114 Ų | 114 | 139.8 Ų | 139.8 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | 164.5 | 130.4 | 115.8 | -166.5 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 9 | A | 33.7 | Very low | 32.8 | Very low | 97 Ų | 97 | 139.3 Ų | 139.3 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | 34.5 | 143.9 | 140.5 | 0 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 10 | G | 28.8 | Very low | 32.8 | Very low | 84 Ų | 84 | 141.7 Ų | 141.7 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | trans | 102.1 | 131.8 | 155.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 11 | G | 26.5 | Very low | 32.9 | Very low | 67 Ų | 67 | 143.1 Ų | 143.1 | 69% | 0.691 | 79% | 0.793 | S | S | * | * | cis | 144.8 | 142.1 | -1.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 12 | E | 32.9 | Very low | 32.4 | Very low | 159 Ų | 159 | 139.3 Ų | 139.3 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | 69.8 | 150.5 | 168.1 | -49.2 | -162.1 | 93.8 | 0 | 0 | 115.9 | ||||
| 13 | R | 32.9 | Very low | 32.5 | Very low | 212 Ų | 212 | 139.7 Ų | 139.7 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | cis | -158.7 | 157.5 | -6.1 | -109.1 | 169.9 | -109.8 | 161.2 | -0.6 | 104.2 | ||||
| 14 | G | 26.8 | Very low | 32.6 | Very low | 64 Ų | 64 | 142.5 Ų | 142.5 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | cis | 140.8 | 107.2 | 7.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 15 | I | 30.5 | Very low | 32.6 | Very low | 165 Ų | 165 | 143.2 Ų | 143.2 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | -154.3 | 122.7 | 173.9 | -60.7 | -173.8 | 0 | 0 | 0 | 105.9 | ||||
| 16 | V | 34.1 | Very low | 32.6 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 72% | 0.715 | 78% | 0.784 | S | S | * | * | cis | 82.4 | 112.8 | 11.8 | -170.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 17 | L | 34.4 | Very low | 32.8 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | cis | -166.4 | 156.1 | -3.4 | -112.9 | 175.3 | 0 | 0 | 0 | 108.6 | ||||
| 18 | Q | 30.9 | Very low | 32.9 | Very low | 184 Ų | 184 | 146.4 Ų | 146.4 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | 160.1 | 105.2 | 142.8 | -91.4 | 153.4 | 87.3 | 0 | 0 | 108.2 | ||||
| 19 | D | 32.3 | Very low | 33.5 | Very low | 130 Ų | 130 | 149 Ų | 149 | 70% | 0.695 | 79% | 0.785 | S | S | * | * | 77.3 | 91.8 | 64.7 | -70.4 | -54.6 | 0 | 0 | 0 | 113.2 | |||||
| 20 | E | 33.8 | Very low | 33.9 | Very low | 187 Ų | 187 | 150.3 Ų | 150.3 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -146.1 | 129.4 | 151.8 | -128.7 | 178.2 | 137.3 | 0 | 0 | 111.9 | ||||
| 21 | E | 34.2 | Very low | 34.3 | Very low | 173 Ų | 173 | 152.1 Ų | 152.1 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | trans | 6 | 126.1 | 179.8 | -65 | -171.8 | 71.2 | 0 | 0 | 123.9 | ||||
| 22 | V | 31 | Very low | 35.5 | Very low | 135 Ų | 135 | 153 Ų | 153 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -86.4 | 119.3 | 158.1 | 173.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 23 | K | 35 | Very low | 36.3 | Very low | 183 Ų | 183 | 153.9 Ų | 153.9 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | trans | -97.6 | 141.6 | 156.4 | -98.8 | -173 | 175.8 | -174.8 | 0 | 110.8 | ||||
| 24 | K | 37.8 | Very low | 37 | Very low | 193 Ų | 193 | 149.4 Ų | 149.4 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | trans | -128.9 | 96.5 | -168.9 | -166 | -173.6 | -171.7 | -175.1 | 0 | 110.6 | ||||
| 25 | E | 33.7 | Very low | 38.4 | Very low | 179 Ų | 179 | 154.3 Ų | 154.3 | 84% | 0.836 | 79% | 0.787 | S | S | * | * | trans | -131.4 | 104 | 169.4 | -66.8 | 174.3 | -176 | 0 | 0 | 103.8 | ||||
| 26 | K | 35.9 | Very low | 39.7 | Very low | 177 Ų | 177 | 155 Ų | 155 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | cis | 87.1 | 105.4 | 45.6 | -163.3 | -170.2 | -176.7 | -139.7 | 0 | 111.8 | ||||
| 27 | D | 37.2 | Very low | 40.9 | Very low | 129 Ų | 129 | 157.4 Ų | 157.4 | 69% | 0.69 | 79% | 0.79 | S | S | * | * | trans | 50 | 97.3 | 162.9 | -54.4 | -39.3 | 0 | 0 | 0 | 117.3 | ||||
| 28 | E | 36.8 | Very low | 42.5 | Very low | 200 Ų | 200 | 157.9 Ų | 157.9 | 94% | 0.935 | 79% | 0.793 | S | S | * | * | trans | -99.5 | 121.9 | 142.4 | -79.9 | -171 | 144.8 | 0 | 0 | 108.1 | ||||
| 29 | E | 44.2 | Very low | 43.9 | Very low | 168 Ų | 168 | 158.7 Ų | 158.7 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | trans | -67.7 | 161.3 | 176.1 | -71 | -175 | 140.9 | 0 | 0 | 111.1 | T31 | E29-T31 PolarHBondContact O-N 3.46Š| ||
| 30 | P | 43 | Very low | 45.8 | Very low | 125 Ų | 125 | 160 Ų | 160 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | trans | -58.9 | 115.8 | 166.6 | 27 | -34.2 | 0 | 0 | 0 | 108.3 | A32 | P30-A32 PolarHBondContact O-N 3.43Š| ||
| 31 | T | 35.8 | Very low | 48 | Very low | 122 Ų | 122 | 154.4 Ų | 154.4 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | -58.4 | 107.5 | 167.4 | 43.4 | 0 | 0 | 0 | 0 | 107.3 | E29 E33 | E29-T31 PolarHBondContact O-N 3.46Å; T31-E33 VanDerWaalsContact C-N 3.26Å; T31-E33 PolarHBondContact O-N 2.9Å | ||
| 32 | A | 51.8 | Low | 50.3 | Low | 87 Ų | 87 | 150 Ų | 150 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | trans | -60.6 | 99.9 | 162.4 | 0 | 0 | 0 | 0 | 0 | 106.1 | P30 T34 | P30-A32 PolarHBondContact O-N 3.43Å; A32-T34 PolarHBondContact O-N 3.29Å | ||
| 33 | E | 49.6 | Very low | 53.2 | Low | 176 Ų | 176 | 146.6 Ų | 146.6 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | -58.9 | 99.2 | 161 | -62.8 | -177.1 | -120.9 | 0 | 0 | 104.7 | T31 E35 | T31-E33 VanDerWaalsContact C-N 3.26Å; T31-E33 PolarHBondContact O-N 2.9Å; E33-E35 VanDerWaalsContact C-N 3.29Å; E33-E35 PolarHBondContact O-N 2.71Å | ||
| 34 | T | 48.7 | Very low | 55.8 | Low | 119 Ų | 119 | 144.4 Ų | 144.4 | 73% | 0.73 | 74% | 0.744 | S | S | * | * | trans | -63.9 | 101.7 | 171.6 | -56.3 | 0 | 0 | 0 | 0 | 105.3 | A32 E36 | A32-T34 PolarHBondContact O-N 3.29Å; T34-E36 VanDerWaalsContact C-N 3.3Å; T34-E36 PolarHBondContact O-N 3.1Å | ||
| 35 | E | 55.5 | Low | 58.3 | Low | 166 Ų | 166 | 138.4 Ų | 138.4 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | trans | -55 | 104.2 | 161 | -66.1 | -179.6 | 163.5 | 0 | 0 | 105.3 | E33 E37 | E33-E35 VanDerWaalsContact C-N 3.29Å; E33-E35 PolarHBondContact O-N 2.71Å; E35-E37 PolarHBondContact O-N 2.95Å | ||
| 36 | E | 57.4 | Low | 61.1 | Low | 180 Ų | 180 | 134.2 Ų | 134.2 | 84% | 0.841 | 71% | 0.707 | S | S | * | * | trans | -66.9 | 87.2 | 166.1 | -68.6 | -170.4 | 177.9 | 0 | 0 | 105.4 | T34 D38 | T34-E36 VanDerWaalsContact C-N 3.3Å; T34-E36 PolarHBondContact O-N 3.1Å; E36-D38 PolarHBondContact O-N 3.4Å | ||
| 37 | E | 59.6 | Low | 63.8 | Low | 169 Ų | 169 | 130 Ų | 130 | 79% | 0.79 | 69% | 0.692 | S | S | * | * | trans | -57 | 106.5 | 165.3 | -69.7 | -172.9 | 147.2 | 0 | 0 | 106.2 | E35 E39 | E35-E37 PolarHBondContact O-N 2.95Å; E37-E39 PolarHBondContact O-N 2.95Å | ||
| 38 | D | 67.4 | Low | 66.3 | Low | 134 Ų | 134 | 127.1 Ų | 127.1 | 72% | 0.717 | 68% | 0.676 | S | S | * | * | trans | -52.7 | 101 | 174.5 | -91.9 | -48.5 | 0 | 0 | 0 | 108.4 | E36 D40 A41 | E36-D38 PolarHBondContact O-N 3.4Å; D38-D40 PolarHBondContact O-N 3.24Å; D38-A41 HydrophobicContact CB-CB 3.67Å; D38-A41 VanDerWaalsContact O-CB 3.26Å; D38-A41 WeakPolarHBondContact O-CB 3.36Å; D38-A41 PolarHBondContact O-N 2.8Å | ||
| 39 | E | 62.1 | Low | 68.9 | Low | 201 Ų | 201 | 122.3 Ų | 122.3 | 94% | 0.939 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -17.5 | -178.2 | -67.2 | -170 | 139 | 0 | 0 | 112.2 | E37 | E37-E39 PolarHBondContact O-N 2.95Š|
| 40 | D | 70.7 | Confident | 71.2 | Confident | 157 Ų | 157 | 119.4 Ų | 119.4 | 84% | 0.84 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -0.8 | 174.5 | -70.4 | -49 | 0 | 0 | 0 | 113.9 | D38 L42 | D38-D40 PolarHBondContact O-N 3.24Å; D40-L42 PolarHBondContact O-N 3.43Å; D40-L42 VanDerWaalsContact O-N 3.15Å |
| 41 | A | 81.3 | Confident | 73.5 | Confident | 69 Ų | 69 | 119.4 Ų | 119.4 | 57% | 0.57 | 63% | 0.633 | S | S | * | * | trans | -73.9 | 105.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D38 | D38-A41 HydrophobicContact CB-CB 3.67Å; D38-A41 VanDerWaalsContact O-CB 3.26Å; D38-A41 WeakPolarHBondContact O-CB 3.36Å; D38-A41 PolarHBondContact O-N 2.8Å | ||
| 42 | L | 82.5 | Confident | 76.1 | Confident | 82 Ų | 82 | 118.6 Ų | 118.6 | 43% | 0.429 | 62% | 0.621 | S | S | . | * | trans | -56.9 | 143.6 | 171.8 | -59.8 | -178.6 | 0 | 0 | 0 | 111.2 | D40 E46 I47 I50 | D40-L42 PolarHBondContact O-N 3.43Å; D40-L42 VanDerWaalsContact O-N 3.15Å; L42-E46 HydrophobicContact CB-CB 4.29Å; L42-I47 HydrophobicContact CB-CD1 4.5Å; L42-I47 HydrophobicContact CB-CG1 3.94Å; L42-I47 WeakPolarHBondContact O-CD1 3.27Å; L42-I50 HydrophobicContact CD1-CD1 3.77Å | ||
| 43 | P | 90.9 | Very high | 78 | Confident | 63 Ų | 63 | 119.6 Ų | 119.6 | 41% | 0.409 | 61% | 0.611 | S | S | . | * | trans | -62.7 | 149.5 | 175.5 | 28.4 | -36 | 0 | 0 | 0 | 110.6 | S45 E46 I47 | P43-S45 PolarHBondContact O-N 3.38Å; P43-E46 HydrophobicContact CG-CB 4.16Å; P43-E46 HydrophobicContact CG-CG 3.8Å; P43-E46 WeakPolarHBondContact CG-OE1 2.96Å; P43-E46 PolarHBondContact O-N 3.01Å; P43-I47 PolarHBondContact O-N 2.77Å | ||
| 44 | H | 89.1 | Confident | 80 | Confident | 136 Ų | 136 | 113 Ų | 113 | 63% | 0.63 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -52 | -33.7 | -174.2 | -177.6 | 54.8 | 0 | 0 | 0 | 113.9 | I47 L48 | H44-I47 PolarHBondContact O-N 3.45Å; H44-L48 WeakPolarHBondContact O-CG 3.43Å; H44-L48 PolarHBondContact O-N 2.89Å |
| 45 | S | 91.9 | Very high | 82 | Confident | 68 Ų | 68 | 109.8 Ų | 109.8 | 48% | 0.476 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -61.2 | -45.4 | 174.3 | 47.9 | 0 | 0 | 0 | 0 | 113.2 | P43 I47 L48 D49 | P43-S45 PolarHBondContact O-N 3.38Å; S45-I47 VanDerWaalsContact C-N 3.33Å; S45-I47 PolarHBondContact O-N 3.44Å; S45-L48 PolarHBondContact O-N 3.39Å; S45-D49 VanDerWaalsContact O-CG 3.27Å; S45-D49 PolarHBondContact O-N 3.34Å |
| 46 | E | 92.1 | Very high | 83.5 | Confident | 90 Ų | 90 | 103.2 Ų | 103.2 | 42% | 0.421 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.1 | -35.2 | -179.9 | -70 | 175.8 | -141.9 | 0 | 0 | 111.2 | L42 P43 D49 I50 | L42-E46 HydrophobicContact CB-CB 4.29Å; P43-E46 HydrophobicContact CG-CB 4.16Å; P43-E46 HydrophobicContact CG-CG 3.8Å; P43-E46 WeakPolarHBondContact CG-OE1 2.96Å; P43-E46 PolarHBondContact O-N 3.01Å; E46-D49 PolarHBondContact O-N 3.29Å; E46-I50 WeakPolarHBondContact O-CB 3.41Å; E46-I50 WeakPolarHBondContact O-CD1 3.3Å; E46-I50 VanDerWaalsContact O-CG1 3.23Å; E46-I50 WeakPolarHBondContact O-CG1 3.45Å; E46-I50 PolarHBondContact O-N 2.9Å |
| 47 | I | 92.4 | Very high | 85 | Confident | 89 Ų | 89 | 102.1 Ų | 102.1 | 46% | 0.456 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 172.3 | -60.2 | 176.2 | 0 | 0 | 0 | 110.7 | L42 P43 H44 S45 F51 | L42-I47 HydrophobicContact CB-CD1 4.5Å; L42-I47 HydrophobicContact CB-CG1 3.94Å; L42-I47 WeakPolarHBondContact O-CD1 3.27Å; P43-I47 PolarHBondContact O-N 2.77Å; H44-I47 PolarHBondContact O-N 3.45Å; S45-I47 VanDerWaalsContact C-N 3.33Å; S45-I47 PolarHBondContact O-N 3.44Å; I47-F51 VanDerWaalsContact O-CB 3.27Å; I47-F51 WeakPolarHBondContact O-CB 3.31Å; I47-F51 PolarHBondContact O-N 2.92Å |
| 48 | L | 90.5 | Very high | 86.5 | Confident | 68 Ų | 68 | 99 Ų | 99 | 36% | 0.356 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 175.9 | -73.1 | 178.1 | 0 | 0 | 0 | 111.7 | H44 S45 I50 F51 E52 | H44-L48 WeakPolarHBondContact O-CG 3.43Å; H44-L48 PolarHBondContact O-N 2.89Å; S45-L48 PolarHBondContact O-N 3.39Å; L48-I50 PolarHBondContact O-N 2.9Å; L48-F51 PolarHBondContact O-N 2.85Å; L48-F51 VanDerWaalsContact O-N 3.13Å; L48-E52 WeakPolarHBondContact O-CB 3.22Å; L48-E52 WeakPolarHBondContact O-CG 3.35Å; L48-E52 PolarHBondContact O-N 3.16Å |
| 49 | D | 90.7 | Very high | 87.4 | Confident | 100 Ų | 100 | 93.4 Ų | 93.4 | 54% | 0.535 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.7 | -46.8 | 178.9 | -68.7 | -26.2 | 0 | 0 | 0 | 111.2 | S45 E46 F51 E52 E53 | S45-D49 VanDerWaalsContact O-CG 3.27Å; S45-D49 PolarHBondContact O-N 3.34Å; E46-D49 PolarHBondContact O-N 3.29Å; D49-F51 VanDerWaalsContact C-N 3.33Å; D49-F51 PolarHBondContact O-N 2.67Å; D49-E52 PolarHBondContact O-N 2.75Å; D49-E53 WeakPolarHBondContact O-CB 3.49Å; D49-E53 PolarHBondContact O-N 2.92Å |
| 50 | I | 93.2 | Very high | 88.5 | Confident | 107 Ų | 107 | 91 Ų | 91 | 55% | 0.549 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 175.8 | -67.1 | 164.5 | 0 | 0 | 0 | 111.3 | L42 E46 L48 G54 | L42-I50 HydrophobicContact CD1-CD1 3.77Å; E46-I50 WeakPolarHBondContact O-CB 3.41Å; E46-I50 WeakPolarHBondContact O-CD1 3.3Å; E46-I50 VanDerWaalsContact O-CG1 3.23Å; E46-I50 WeakPolarHBondContact O-CG1 3.45Å; E46-I50 PolarHBondContact O-N 2.9Å; L48-I50 PolarHBondContact O-N 2.9Å; I50-G54 PolarHBondContact O-N 2.83Å |
| 51 | F | 90.9 | Very high | 89.5 | Confident | 124 Ų | 124 | 86.8 Ų | 86.8 | 54% | 0.544 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -71.1 | -43.5 | -179.8 | -178.8 | -104.4 | 0 | 0 | 0 | 112.6 | I47 L48 D49 G54 L55 | I47-F51 VanDerWaalsContact O-CB 3.27Å; I47-F51 WeakPolarHBondContact O-CB 3.31Å; I47-F51 PolarHBondContact O-N 2.92Å; L48-F51 PolarHBondContact O-N 2.85Å; L48-F51 VanDerWaalsContact O-N 3.13Å; D49-F51 VanDerWaalsContact C-N 3.33Å; D49-F51 PolarHBondContact O-N 2.67Å; F51-G54 PolarHBondContact O-N 3.05Å; F51-G54 VanDerWaalsContact O-N 3.16Å; F51-L55 HydrophobicContact CD1-CD1 3.99Å; F51-L55 HydrophobicContact CD1-CG 4.42Å; F51-L55 HydrophobicContact CE1-CD1 3.4Å; F51-L55 HydrophobicContact CE1-CG 4.03Å; F51-L55 HydrophobicContact CE2-CG 4.47Å; F51-L55 HydrophobicContact CZ-CD1 3.77Å; F51-L55 HydrophobicContact CZ-CD2 4.28Å; F51-L55 HydrophobicContact CZ-CG 4.05Å; F51-L55 PolarHBondContact O-N 2.88Å |
| 52 | E | 90.3 | Very high | 89.9 | Confident | 105 Ų | 105 | 88.9 Ų | 88.9 | 49% | 0.491 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 174.9 | -73.6 | -167.2 | -166.8 | 0 | 0 | 111.2 | L48 D49 G54 L55 A56 | L48-E52 WeakPolarHBondContact O-CB 3.22Å; L48-E52 WeakPolarHBondContact O-CG 3.35Å; L48-E52 PolarHBondContact O-N 3.16Å; D49-E52 PolarHBondContact O-N 2.75Å; E52-G54 VanDerWaalsContact C-N 3.33Å; E52-G54 PolarHBondContact O-N 3.32Å; E52-L55 PolarHBondContact O-N 2.92Å; E52-A56 VanDerWaalsContact O-CB 3.23Å; E52-A56 WeakPolarHBondContact O-CB 3.4Å; E52-A56 PolarHBondContact O-N 3.02Å |
| 53 | E | 90.8 | Very high | 90.2 | Very high | 109 Ų | 109 | 91.9 Ų | 91.9 | 51% | 0.509 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -58.9 | -41.4 | 170.3 | -92.9 | -154.9 | -151.4 | 0 | 0 | 112.9 | D49 R57 | D49-E53 WeakPolarHBondContact O-CB 3.49Å; D49-E53 PolarHBondContact O-N 2.92Å; E53-R57 WeakPolarHBondContact O-CG 3.41Å; E53-R57 PolarHBondContact O-N 3.1Å; E53-R57 VanDerWaalsContact O-N 3.14Å; E53-R57 IonicContact OE2-CZ 3.66Å; E53-R57 VanDerWaalsContact OE2-CZ 3.29Å; E53-R57 IonicContact OE2-NH1 2.65Å; E53-R57 PolarHBondContact OE2-NH1 2.78Å; E53-R57 IonicContact OE2-NH2 2.69Å; E53-R57 PolarHBondContact OE2-NH2 2.97Å |
| 54 | G | 91.9 | Very high | 90 | Very high | 38 Ų | 38 | 91.6 Ų | 91.6 | 39% | 0.392 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.5 | -48.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I50 F51 E52 R57 L58 | I50-G54 PolarHBondContact O-N 2.83Å; F51-G54 PolarHBondContact O-N 3.05Å; F51-G54 VanDerWaalsContact O-N 3.16Å; E52-G54 VanDerWaalsContact C-N 3.33Å; E52-G54 PolarHBondContact O-N 3.32Å; G54-R57 PolarHBondContact O-N 3.19Å; G54-L58 PolarHBondContact O-N 2.82Å; G54-L58 VanDerWaalsContact O-N 3.07Å |
| 55 | L | 90.1 | Very high | 89.7 | Confident | 50 Ų | 50 | 89.5 Ų | 89.5 | 26% | 0.262 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 175.2 | -73 | -178 | 0 | 0 | 0 | 112.1 | F51 E52 R57 L58 V59 | F51-L55 HydrophobicContact CD1-CD1 3.99Å; F51-L55 HydrophobicContact CD1-CG 4.42Å; F51-L55 HydrophobicContact CE1-CD1 3.4Å; F51-L55 HydrophobicContact CE1-CG 4.03Å; F51-L55 HydrophobicContact CE2-CG 4.47Å; F51-L55 HydrophobicContact CZ-CD1 3.77Å; F51-L55 HydrophobicContact CZ-CD2 4.28Å; F51-L55 HydrophobicContact CZ-CG 4.05Å; F51-L55 PolarHBondContact O-N 2.88Å; E52-L55 PolarHBondContact O-N 2.92Å; L55-R57 PolarHBondContact O-N 3.38Å; L55-L58 PolarHBondContact O-N 2.79Å; L55-V59 WeakPolarHBondContact O-CG2 3.25Å; L55-V59 PolarHBondContact O-N 2.94Å |
| 56 | A | 87.7 | Confident | 89.4 | Confident | 28 Ų | 28 | 91.2 Ų | 91.2 | 23% | 0.231 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -63.1 | -29.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E52 Q60 I69 | E52-A56 VanDerWaalsContact O-CB 3.23Å; E52-A56 WeakPolarHBondContact O-CB 3.4Å; E52-A56 PolarHBondContact O-N 3.02Å; A56-Q60 WeakPolarHBondContact O-CG 3.46Å; A56-Q60 PolarHBondContact O-NE2 3.01Å; A56-I69 HydrophobicContact CB-CG2 4.08Å |
| 57 | R | 89.8 | Confident | 89.2 | Confident | 157 Ų | 157 | 88.2 Ų | 88.2 | 59% | 0.592 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -73.8 | -40.8 | 169.6 | -72.1 | -179.2 | -176.7 | 95.6 | 2.1 | 112.1 | E53 G54 L55 Q60 | E53-R57 WeakPolarHBondContact O-CG 3.41Å; E53-R57 PolarHBondContact O-N 3.1Å; E53-R57 VanDerWaalsContact O-N 3.14Å; E53-R57 IonicContact OE2-CZ 3.66Å; E53-R57 VanDerWaalsContact OE2-CZ 3.29Å; E53-R57 IonicContact OE2-NH1 2.65Å; E53-R57 PolarHBondContact OE2-NH1 2.78Å; E53-R57 IonicContact OE2-NH2 2.69Å; E53-R57 PolarHBondContact OE2-NH2 2.97Å; G54-R57 PolarHBondContact O-N 3.19Å; L55-R57 PolarHBondContact O-N 3.38Å; R57-Q60 WeakPolarHBondContact O-CB 3.31Å; R57-Q60 PolarHBondContact O-N 3.39Å |
| 58 | L | 89.6 | Confident | 88.9 | Confident | 104 Ų | 104 | 85.8 Ų | 85.8 | 55% | 0.545 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | -179.6 | -168.8 | 73 | 0 | 0 | 0 | 112.3 | G54 L55 Q60 D61 L64 | G54-L58 PolarHBondContact O-N 2.82Å; G54-L58 VanDerWaalsContact O-N 3.07Å; L55-L58 PolarHBondContact O-N 2.79Å; L58-Q60 PolarHBondContact O-N 2.95Å; L58-Q60 VanDerWaalsContact O-N 3.14Å; L58-D61 WeakPolarHBondContact O-CB 3.43Å; L58-D61 PolarHBondContact O-N 3.45Å; L58-D61 VanDerWaalsContact O-N 3.08Å; L58-L64 HydrophobicContact CD2-CD1 4.43Å; L58-L64 HydrophobicContact CG-CD1 3.98Å |
| 59 | V | 87.8 | Confident | 88.6 | Confident | 16 Ų | 16 | 88.5 Ų | 88.5 | 10% | 0.097 | 47% | 0.467 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -12.2 | -179.7 | 175.9 | 0 | 0 | 0 | 0 | 113 | L55 D61 L67 V71 | L55-V59 WeakPolarHBondContact O-CG2 3.25Å; L55-V59 PolarHBondContact O-N 2.94Å; V59-D61 VanDerWaalsContact C-N 3.28Å; V59-D61 PolarHBondContact O-N 2.88Å; V59-L67 HydrophobicContact CG1-CB 4.31Å; V59-L67 WeakPolarHBondContact CG1-O 3.41Å; V59-V71 HydrophobicContact CG2-CG1 4.29Å |
| 60 | Q | 85.3 | Confident | 88.3 | Confident | 150 Ų | 150 | 88.8 Ų | 88.8 | 70% | 0.701 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -8.5 | 172.6 | -67.8 | 168.4 | 39.5 | 0 | 0 | 113.7 | A56 R57 L58 | A56-Q60 WeakPolarHBondContact O-CG 3.46Å; A56-Q60 PolarHBondContact O-NE2 3.01Å; R57-Q60 WeakPolarHBondContact O-CB 3.31Å; R57-Q60 PolarHBondContact O-N 3.39Å; L58-Q60 PolarHBondContact O-N 2.95Å; L58-Q60 VanDerWaalsContact O-N 3.14Å |
| 61 | D | 90.7 | Very high | 88 | Confident | 70 Ų | 70 | 85.2 Ų | 85.2 | 37% | 0.374 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -59.9 | 131.6 | 173.1 | -168 | -51.3 | 0 | 0 | 0 | 110.1 | L58 V59 L63 L64 C65 | L58-D61 WeakPolarHBondContact O-CB 3.43Å; L58-D61 PolarHBondContact O-N 3.45Å; L58-D61 VanDerWaalsContact O-N 3.08Å; V59-D61 VanDerWaalsContact C-N 3.28Å; V59-D61 PolarHBondContact O-N 2.88Å; D61-L63 PolarHBondContact O-N 2.79Å; D61-L63 WeakPolarHBondContact OD1-CB 3.38Å; D61-L63 WeakPolarHBondContact OD1-CG 3.36Å; D61-L63 PolarHBondContact OD1-N 3.4Å; D61-L64 HydrophobicContact CB-CB 4.49Å; D61-L64 HydrophobicContact CB-CD1 4.44Å; D61-L64 HydrophobicContact CB-CG 4.41Å; D61-L64 PolarHBondContact O-N 2.84Å; D61-C65 PolarHBondContact O-N 2.94Å |
| 62 | P | 89.3 | Confident | 87.9 | Confident | 112 Ų | 112 | 81 Ų | 81 | 73% | 0.727 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -23.3 | 174.8 | -28.3 | 35.9 | 0 | 0 | 0 | 115.2 | L64 C65 | P62-L64 VanDerWaalsContact C-N 3.32Å; P62-C65 PolarHBondContact O-SG 3.48Å |
| 63 | L | 88.9 | Confident | 88 | Confident | 146 Ų | 146 | 82.4 Ų | 82.4 | 76% | 0.764 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -10.5 | 176 | -59.7 | 177.8 | 0 | 0 | 0 | 113.9 | D61 | D61-L63 PolarHBondContact O-N 2.79Å; D61-L63 WeakPolarHBondContact OD1-CB 3.38Å; D61-L63 WeakPolarHBondContact OD1-CG 3.36Å; D61-L63 PolarHBondContact OD1-N 3.4Å |
| 64 | L | 87.9 | Confident | 88 | Confident | 57 Ų | 57 | 81.5 Ų | 81.5 | 30% | 0.298 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -121.7 | 12 | -176 | -61.3 | -179.8 | 0 | 0 | 0 | 113.2 | L58 D61 P62 D66 L67 | L58-L64 HydrophobicContact CD2-CD1 4.43Å; L58-L64 HydrophobicContact CG-CD1 3.98Å; D61-L64 HydrophobicContact CB-CB 4.49Å; D61-L64 HydrophobicContact CB-CD1 4.44Å; D61-L64 HydrophobicContact CB-CG 4.41Å; D61-L64 PolarHBondContact O-N 2.84Å; P62-L64 VanDerWaalsContact C-N 3.32Å; L64-D66 PolarHBondContact O-N 2.94Å; L64-L67 HydrophobicContact CB-CD1 4.47Å; L64-L67 HydrophobicContact CD2-CD1 4.14Å; L64-L67 PolarHBondContact O-N 2.95Å |
| 65 | C | 82.6 | Confident | 87.9 | Confident | 91 Ų | 91 | 81.3 Ų | 81.3 | 62% | 0.615 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -12.2 | -176.3 | 62.8 | 0 | 0 | 0 | 0 | 115.1 | D61 P62 L67 | D61-C65 PolarHBondContact O-N 2.94Å; P62-C65 PolarHBondContact O-SG 3.48Å; C65-L67 VanDerWaalsContact C-N 3.31Å |
| 66 | D | 86.1 | Confident | 88 | Confident | 104 Ų | 104 | 81.1 Ų | 81.1 | 56% | 0.556 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -6.5 | 176.1 | -50.2 | -56.3 | 0 | 0 | 0 | 113.2 | L64 Q79 | L64-D66 PolarHBondContact O-N 2.94Å; D66-Q79 PolarHBondContact O-NE2 3.49Å |
| 67 | L | 87.4 | Confident | 88.2 | Confident | 28 Ų | 28 | 84 Ų | 84 | 15% | 0.147 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -98.4 | 142.3 | 178.4 | -65.6 | 171 | 0 | 0 | 0 | 111.5 | V59 L64 C65 V71 V76 Q79 | V59-L67 HydrophobicContact CG1-CB 4.31Å; V59-L67 WeakPolarHBondContact CG1-O 3.41Å; L64-L67 HydrophobicContact CB-CD1 4.47Å; L64-L67 HydrophobicContact CD2-CD1 4.14Å; L64-L67 PolarHBondContact O-N 2.95Å; C65-L67 VanDerWaalsContact C-N 3.31Å; L67-V71 HydrophobicContact CB-CG2 4.17Å; L67-V71 HydrophobicContact CD1-CG2 4.29Å; L67-V71 HydrophobicContact CD2-CG2 3.89Å; L67-V71 HydrophobicContact CG-CG2 4.34Å; L67-V76 HydrophobicContact CD1-CG2 4.31Å; L67-V76 HydrophobicContact CD2-CG2 4.29Å; L67-Q79 HydrophobicContact CD2-CB 4.35Å; L67-Q79 HydrophobicContact CD2-CG 3.58Å; L67-Q79 HydrophobicContact CG-CG 4.43Å |
| 68 | P | 85.1 | Confident | 88.3 | Confident | 37 Ų | 37 | 78.1 Ų | 78.1 | 24% | 0.24 | 42% | 0.423 | C | S | . | . | trans | -72.8 | 151.5 | 173.4 | 30.4 | -32.6 | 0 | 0 | 0 | 110.9 | Q70 V71 | P68-Q70 VanDerWaalsContact C-N 3.33Å; P68-Q70 PolarHBondContact O-N 2.83Å; P68-V71 WeakPolarHBondContact O-CA 3.41Å; P68-V71 WeakPolarHBondContact O-CB 3.38Å; P68-V71 PolarHBondContact O-N 3.22Å; P68-V71 VanDerWaalsContact O-N 3.13Å | ||
| 69 | I | 84.2 | Confident | 88.4 | Confident | 125 Ų | 125 | 76 Ų | 76 | 64% | 0.641 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -53.1 | -48.5 | -178.1 | -60.5 | 167.7 | 0 | 0 | 0 | 111.8 | A56 V71 | A56-I69 HydrophobicContact CB-CG2 4.08Å; I69-V71 VanDerWaalsContact C-N 3.29Å; I69-V71 PolarHBondContact O-N 3.16Å; I69-V71 VanDerWaalsContact O-N 3.15Å |
| 70 | Q | 84.2 | Confident | 88.7 | Confident | 107 Ų | 107 | 79 Ų | 79 | 50% | 0.5 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -86.8 | 68.5 | 171.7 | -71.3 | 179 | -29.1 | 0 | 0 | 109.8 | P68 R127 | P68-Q70 VanDerWaalsContact C-N 3.33Å; P68-Q70 PolarHBondContact O-N 2.83Å; Q70-R127 PolarHBondContact O-NE 2.88Å; Q70-R127 PolarHBondContact O-NH2 2.81Å |
| 71 | V | 87.7 | Confident | 89.1 | Confident | 31 Ų | 31 | 72.7 Ų | 72.7 | 19% | 0.188 | 40% | 0.399 | C | S | . | . | trans | -69.7 | 139.8 | -175.3 | 67 | 0 | 0 | 0 | 0 | 112.5 | V59 L67 P68 I69 V76 | V59-V71 HydrophobicContact CG2-CG1 4.29Å; L67-V71 HydrophobicContact CB-CG2 4.17Å; L67-V71 HydrophobicContact CD1-CG2 4.29Å; L67-V71 HydrophobicContact CD2-CG2 3.89Å; L67-V71 HydrophobicContact CG-CG2 4.34Å; P68-V71 WeakPolarHBondContact O-CA 3.41Å; P68-V71 WeakPolarHBondContact O-CB 3.38Å; P68-V71 PolarHBondContact O-N 3.22Å; P68-V71 VanDerWaalsContact O-N 3.13Å; I69-V71 VanDerWaalsContact C-N 3.29Å; I69-V71 PolarHBondContact O-N 3.16Å; I69-V71 VanDerWaalsContact O-N 3.15Å; V71-V76 HydrophobicContact CG2-CG2 3.53Å | ||
| 72 | T | 89.6 | Confident | 89.1 | Confident | 35 Ų | 35 | 71.2 Ų | 71.2 | 22% | 0.215 | 39% | 0.39 | C | S | . | . | trans | -107.4 | 153.3 | 169.8 | 66.4 | 0 | 0 | 0 | 0 | 112 | E74 E75 V76 L123 | T72-E74 PolarHBondContact O-N 2.87Å; T72-E74 VanDerWaalsContact O-N 3.16Å; T72-E75 WeakPolarHBondContact CB-OE2 3.33Å; T72-E75 PolarHBondContact N-OE2 3.48Å; T72-E75 PolarHBondContact O-N 3.47Å; T72-E75 WeakPolarHBondContact OG1-CG 3.5Å; T72-E75 PolarHBondContact OG1-N 2.64Å; T72-E75 PolarHBondContact OG1-OE2 3.16Å; T72-V76 PolarHBondContact O-N 3.46Å; T72-V76 VanDerWaalsContact O-N 3.1Å; T72-L123 HydrophobicContact CG2-CD2 3.77Å | ||
| 73 | L | 91.1 | Very high | 89.2 | Confident | 135 Ų | 135 | 73.5 Ų | 73.5 | 71% | 0.707 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -54.5 | -34.4 | 176.1 | -175.3 | 73.3 | 0 | 0 | 0 | 112.5 | V76 N77 | L73-V76 PolarHBondContact O-N 3.17Å; L73-N77 WeakPolarHBondContact O-CB 3.05Å; L73-N77 VanDerWaalsContact O-CG 3.28Å; L73-N77 PolarHBondContact O-N 3.02Å; L73-N77 PolarHBondContact O-ND2 3.31Å; L73-N77 VanDerWaalsContact O-ND2 3.14Å |
| 74 | E | 90.5 | Very high | 89.4 | Confident | 91 Ų | 91 | 75 Ų | 75 | 43% | 0.425 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.7 | -39.4 | 176.6 | -173.8 | 177.4 | -173.2 | 0 | 0 | 112.2 | T72 S78 R119 | T72-E74 PolarHBondContact O-N 2.87Å; T72-E74 VanDerWaalsContact O-N 3.16Å; E74-S78 WeakPolarHBondContact O-CB 3.41Å; E74-S78 PolarHBondContact O-N 3Å; E74-S78 PolarHBondContact O-OG 2.86Å; E74-R119 IonicContact OE2-CZ 3.71Å; E74-R119 IonicContact OE2-NE 3.25Å; E74-R119 PolarHBondContact OE2-NE 3.34Å; E74-R119 IonicContact OE2-NH2 2.72Å; E74-R119 PolarHBondContact OE2-NH2 3.4Å |
| 75 | E | 90.7 | Very high | 89.6 | Confident | 33 Ų | 33 | 73.8 Ų | 73.8 | 15% | 0.154 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -73.6 | -39.1 | 177.3 | -70.5 | 160.2 | 133.6 | 0 | 0 | 111.8 | T72 S78 Q79 L123 R127 | T72-E75 WeakPolarHBondContact CB-OE2 3.33Å; T72-E75 PolarHBondContact N-OE2 3.48Å; T72-E75 PolarHBondContact O-N 3.47Å; T72-E75 WeakPolarHBondContact OG1-CG 3.5Å; T72-E75 PolarHBondContact OG1-N 2.64Å; T72-E75 PolarHBondContact OG1-OE2 3.16Å; E75-S78 WeakPolarHBondContact O-CB 3.37Å; E75-S78 PolarHBondContact O-N 3.4Å; E75-S78 VanDerWaalsContact O-N 3.12Å; E75-Q79 PolarHBondContact O-N 2.92Å; E75-L123 HydrophobicContact CG-CD1 4.44Å; E75-R127 IonicContact OE1-CZ 2.82Å; E75-R127 VanDerWaalsContact OE1-CZ 3.25Å; E75-R127 IonicContact OE1-NH1 2.85Å; E75-R127 PolarHBondContact OE1-NH1 2.99Å; E75-R127 IonicContact OE1-NH2 3.29Å; E75-R127 PolarHBondContact OE1-NH2 3.22Å; E75-R127 IonicContact OE2-CZ 2.87Å; E75-R127 IonicContact OE2-NH2 2.72Å; E75-R127 PolarHBondContact OE2-NH2 3.41Å |
| 76 | V | 92.2 | Very high | 90.1 | Very high | 47 Ų | 47 | 75.3 Ų | 75.3 | 29% | 0.285 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.2 | -50.1 | 172 | 179.1 | 0 | 0 | 0 | 0 | 110.3 | L67 V71 T72 L73 S78 Q79 I80 | L67-V76 HydrophobicContact CD1-CG2 4.31Å; L67-V76 HydrophobicContact CD2-CG2 4.29Å; V71-V76 HydrophobicContact CG2-CG2 3.53Å; T72-V76 PolarHBondContact O-N 3.46Å; T72-V76 VanDerWaalsContact O-N 3.1Å; L73-V76 PolarHBondContact O-N 3.17Å; V76-S78 VanDerWaalsContact C-N 3.25Å; V76-S78 PolarHBondContact O-N 2.97Å; V76-Q79 PolarHBondContact O-N 2.89Å; V76-I80 HydrophobicContact CG1-CD1 3.78Å; V76-I80 HydrophobicContact CG1-CG1 4.49Å; V76-I80 WeakPolarHBondContact O-CB 3.28Å; V76-I80 VanDerWaalsContact O-CG1 3.27Å; V76-I80 WeakPolarHBondContact O-CG1 3.23Å; V76-I80 PolarHBondContact O-N 3.29Å |
| 77 | N | 92.6 | Very high | 90.6 | Very high | 88 Ų | 88 | 70.8 Ų | 70.8 | 47% | 0.471 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.4 | -34 | 175.8 | -73.5 | -32.1 | 0 | 0 | 0 | 112.4 | L73 A81 | L73-N77 WeakPolarHBondContact O-CB 3.05Å; L73-N77 VanDerWaalsContact O-CG 3.28Å; L73-N77 PolarHBondContact O-N 3.02Å; L73-N77 PolarHBondContact O-ND2 3.31Å; L73-N77 VanDerWaalsContact O-ND2 3.14Å; N77-A81 VanDerWaalsContact O-CB 3.24Å; N77-A81 WeakPolarHBondContact O-CB 3.45Å; N77-A81 PolarHBondContact O-N 3.37Å |
| 78 | S | 91.5 | Very high | 91 | Very high | 34 Ų | 34 | 69.8 Ų | 69.8 | 24% | 0.238 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -68.7 | -42.1 | 177 | -63.5 | 0 | 0 | 0 | 0 | 112.6 | E74 E75 V76 A81 L82 | E74-S78 WeakPolarHBondContact O-CB 3.41Å; E74-S78 PolarHBondContact O-N 3Å; E74-S78 PolarHBondContact O-OG 2.86Å; E75-S78 WeakPolarHBondContact O-CB 3.37Å; E75-S78 PolarHBondContact O-N 3.4Å; E75-S78 VanDerWaalsContact O-N 3.12Å; V76-S78 VanDerWaalsContact C-N 3.25Å; V76-S78 PolarHBondContact O-N 2.97Å; S78-A81 PolarHBondContact O-N 2.61Å; S78-L82 WeakPolarHBondContact O-CG 3.25Å; S78-L82 PolarHBondContact O-N 2.82Å |
| 79 | Q | 91.8 | Very high | 91.5 | Very high | 59 Ų | 59 | 69.6 Ų | 69.6 | 28% | 0.276 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.8 | -44.3 | 175 | -63.2 | -59.7 | 13.4 | 0 | 0 | 111.3 | D66 L67 E75 V76 A81 L82 E83 | D66-Q79 PolarHBondContact O-NE2 3.49Å; L67-Q79 HydrophobicContact CD2-CB 4.35Å; L67-Q79 HydrophobicContact CD2-CG 3.58Å; L67-Q79 HydrophobicContact CG-CG 4.43Å; E75-Q79 PolarHBondContact O-N 2.92Å; V76-Q79 PolarHBondContact O-N 2.89Å; Q79-A81 VanDerWaalsContact C-N 3.27Å; Q79-A81 PolarHBondContact O-N 3.29Å; Q79-L82 WeakPolarHBondContact O-CB 3.45Å; Q79-L82 PolarHBondContact O-N 2.99Å; Q79-E83 PolarHBondContact O-N 3.17Å |
| 80 | I | 93.3 | Very high | 92.1 | Very high | 80 Ų | 80 | 63.6 Ų | 63.6 | 41% | 0.41 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -55.6 | -44.1 | 173.5 | -69.5 | 170.5 | 0 | 0 | 0 | 110.9 | V76 L82 E83 Y84 | V76-I80 HydrophobicContact CG1-CD1 3.78Å; V76-I80 HydrophobicContact CG1-CG1 4.49Å; V76-I80 WeakPolarHBondContact O-CB 3.28Å; V76-I80 VanDerWaalsContact O-CG1 3.27Å; V76-I80 WeakPolarHBondContact O-CG1 3.23Å; V76-I80 PolarHBondContact O-N 3.29Å; I80-L82 VanDerWaalsContact C-N 3.33Å; I80-L82 PolarHBondContact O-N 3.38Å; I80-E83 PolarHBondContact O-N 3.08Å; I80-Y84 HydrophobicContact CG2-CD2 3.64Å; I80-Y84 HydrophobicContact CG2-CE2 3.59Å; I80-Y84 WeakPolarHBondContact O-CD2 3.4Å; I80-Y84 PolarHBondContact O-N 2.93Å |
| 81 | A | 92.9 | Very high | 92.7 | Very high | 17 Ų | 17 | 61.8 Ų | 61.8 | 14% | 0.14 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68.3 | -28.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N77 S78 Q79 G85 Q86 A87 | N77-A81 VanDerWaalsContact O-CB 3.24Å; N77-A81 WeakPolarHBondContact O-CB 3.45Å; N77-A81 PolarHBondContact O-N 3.37Å; S78-A81 PolarHBondContact O-N 2.61Å; Q79-A81 VanDerWaalsContact C-N 3.27Å; Q79-A81 PolarHBondContact O-N 3.29Å; A81-G85 CarbonylContact O-C 3.55Å; A81-G85 PolarHBondContact O-N 2.95Å; A81-Q86 HydrophobicContact CB-CB 4.31Å; A81-Q86 CarbonylContact O-C 3.58Å; A81-Q86 WeakPolarHBondContact O-CA 3.47Å; A81-Q86 PolarHBondContact O-N 2.9Å; A81-A87 HydrophobicContact CB-CB 3.75Å; A81-A87 PolarHBondContact O-N 2.87Å |
| 82 | L | 92.1 | Very high | 93.1 | Very high | 38 Ų | 38 | 60.3 Ų | 60.3 | 20% | 0.199 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -70 | -44.8 | 172.7 | -78.5 | 169.3 | 0 | 0 | 0 | 111.6 | S78 Q79 I80 G85 A87 V103 | S78-L82 WeakPolarHBondContact O-CG 3.25Å; S78-L82 PolarHBondContact O-N 2.82Å; Q79-L82 WeakPolarHBondContact O-CB 3.45Å; Q79-L82 PolarHBondContact O-N 2.99Å; I80-L82 VanDerWaalsContact C-N 3.33Å; I80-L82 PolarHBondContact O-N 3.38Å; L82-G85 WeakPolarHBondContact O-CA 3.41Å; L82-G85 PolarHBondContact O-N 3.45Å; L82-A87 HydrophobicContact CD2-CB 3.97Å; L82-A87 HydrophobicContact CG-CB 4.04Å; L82-V103 HydrophobicContact CD1-CB 4.48Å; L82-V103 HydrophobicContact CD1-CG1 3.83Å; L82-V103 HydrophobicContact CD1-CG2 3.75Å; L82-V103 HydrophobicContact CD2-CG1 4.12Å; L82-V103 HydrophobicContact CG-CG1 3.83Å |
| 83 | E | 91.5 | Very high | 93.3 | Very high | 160 Ų | 160 | 60.6 Ų | 60.6 | 75% | 0.748 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -63.4 | -42 | 178.1 | -71.6 | -54.3 | 122.2 | 0 | 0 | 112.6 | Q79 I80 G85 | Q79-E83 PolarHBondContact O-N 3.17Å; I80-E83 PolarHBondContact O-N 3.08Å; E83-G85 PolarHBondContact O-N 3.45Å |
| 84 | Y | 93.4 | Very high | 93.3 | Very high | 177 Ų | 177 | 57.3 Ų | 57.3 | 69% | 0.694 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74 | 2 | 171.1 | -69.8 | -58.9 | 0 | 0 | 0 | 113.9 | I80 Q86 | I80-Y84 HydrophobicContact CG2-CD2 3.64Å; I80-Y84 HydrophobicContact CG2-CE2 3.59Å; I80-Y84 WeakPolarHBondContact O-CD2 3.4Å; I80-Y84 PolarHBondContact O-N 2.93Å; Y84-Q86 PolarHBondContact O-N 2.85Å; Y84-Q86 VanDerWaalsContact O-N 3.16Å |
| 85 | G | 91.3 | Very high | 92.8 | Very high | 33 Ų | 33 | 57 Ų | 57 | 34% | 0.34 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 15.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | A81 L82 E83 Q106 | A81-G85 CarbonylContact O-C 3.55Å; A81-G85 PolarHBondContact O-N 2.95Å; L82-G85 WeakPolarHBondContact O-CA 3.41Å; L82-G85 PolarHBondContact O-N 3.45Å; E83-G85 PolarHBondContact O-N 3.45Å; G85-Q106 PolarHBondContact O-NE2 3.12Å |
| 86 | Q | 94 | Very high | 92.4 | Very high | 123 Ų | 123 | 60.4 Ų | 60.4 | 58% | 0.575 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -81.6 | -20.8 | 178.8 | -64.7 | -179.8 | -28.5 | 0 | 0 | 112.8 | A81 Y84 Q106 | A81-Q86 HydrophobicContact CB-CB 4.31Å; A81-Q86 CarbonylContact O-C 3.58Å; A81-Q86 WeakPolarHBondContact O-CA 3.47Å; A81-Q86 PolarHBondContact O-N 2.9Å; Y84-Q86 PolarHBondContact O-N 2.85Å; Y84-Q86 VanDerWaalsContact O-N 3.16Å; Q86-Q106 WeakPolarHBondContact O-CB 3.23Å; Q86-Q106 WeakPolarHBondContact O-CG 3.45Å; Q86-Q106 PolarHBondContact O-N 3.36Å |
| 87 | A | 95.5 | Very high | 92 | Very high | 8 Ų | 8 | 60.7 Ų | 60.7 | 7% | 0.066 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 169.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A81 L82 V103 V104 | A81-A87 HydrophobicContact CB-CB 3.75Å; A81-A87 PolarHBondContact O-N 2.87Å; L82-A87 HydrophobicContact CD2-CB 3.97Å; L82-A87 HydrophobicContact CG-CB 4.04Å; A87-V103 HydrophobicContact CB-CG1 3.82Å; A87-V104 CarbonylContact C-O 3.6Å; A87-V104 VanDerWaalsContact CA-O 3.25Å; A87-V104 WeakPolarHBondContact CA-O 3.24Å; A87-V104 WeakPolarHBondContact CB-O 3.49Å |
| 88 | M | 95.3 | Very high | 92 | Very high | 8 Ų | 8 | 59.3 Ų | 59.3 | 4% | 0.039 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 149.3 | 172.6 | 64.1 | -179.1 | -173.7 | 0 | 0 | 110.3 | V90 V104 L159 N166 | M88-V90 HydrophobicContact CE-CG2 4.3Å; M88-V104 HydrophobicContact CE-CG2 3.97Å; M88-V104 HydrophobicContact CG-CG2 3.88Å; M88-V104 PolarHBondContact N-O 2.84Å; M88-V104 PolarHBondContact O-N 3.2Å; M88-L159 HydrophobicContact CE-CB 3.83Å; M88-L159 HydrophobicContact CE-CD1 3.79Å; M88-L159 HydrophobicContact CE-CG 4.48Å; M88-N166 HydrophobicContact CB-CB 3.87Å |
| 89 | T | 96 | Very high | 92.1 | Very high | 32 Ų | 32 | 61.8 Ų | 61.8 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 120.5 | 176.2 | -44.6 | 0 | 0 | 0 | 0 | 109.5 | P101 I102 N166 R167 | T89-P101 HydrophobicContact CG2-CB 3.81Å; T89-I102 CarbonylContact C-O 3.55Å; T89-I102 WeakPolarHBondContact CA-O 3.15Å; T89-N166 PolarHBondContact N-OD1 2.98Å; T89-N166 PolarHBondContact O-OD1 3.49Å; T89-R167 VanDerWaalsContact O-CA 3.31Å; T89-R167 WeakPolarHBondContact O-CA 3.41Å; T89-R167 PolarHBondContact O-N 3.46Å |
| 90 | V | 96.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 125 | 170.8 | 179.5 | 0 | 0 | 0 | 0 | 108.2 | M88 V92 I102 V104 L113 L159 I164 V170 | M88-V90 HydrophobicContact CE-CG2 4.3Å; V90-V92 HydrophobicContact CG1-CG2 4.24Å; V90-V92 PolarHBondContact O-N 3.34Å; V90-I102 PolarHBondContact N-O 2.86Å; V90-I102 PolarHBondContact O-N 3.38Å; V90-V104 HydrophobicContact CG2-CG2 3.89Å; V90-L113 HydrophobicContact CB-CD1 4.17Å; V90-L113 HydrophobicContact CG1-CD1 4.24Å; V90-L113 HydrophobicContact CG1-CD2 4.45Å; V90-L159 HydrophobicContact CG2-CD1 4.46Å; V90-I164 HydrophobicContact CG1-CG2 4.46Å; V90-I164 HydrophobicContact CG2-CG2 4.1Å; V90-V170 HydrophobicContact CG1-CB 4.19Å; V90-V170 HydrophobicContact CG1-CG2 3.58Å |
| 91 | K | 96.9 | Very high | 92.2 | Very high | 68 Ų | 68 | 58.7 Ų | 58.7 | 30% | 0.296 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 110 | 177.2 | -70.5 | 171.3 | 178 | 170.9 | 0 | 109.2 | I99 D168 E169 V170 | K91-I99 HydrophobicContact CB-CG2 3.87Å; K91-I99 HydrophobicContact CD-CG2 4.43Å; K91-I99 HydrophobicContact CG-CG2 4.07Å; K91-D168 PolarHBondContact N-O 2.99Å; K91-E169 HydrophobicContact CB-CG 3.71Å; K91-E169 HydrophobicContact CD-CG 3.53Å; K91-E169 WeakPolarHBondContact CD-OE1 3.45Å; K91-E169 HydrophobicContact CG-CG 4.35Å; K91-E169 IonicContact NZ-OE1 2.85Å; K91-E169 PolarHBondContact NZ-OE1 3Å; K91-E169 CarbonylContact O-C 3.48Å; K91-E169 WeakPolarHBondContact O-CA 3.48Å; K91-V170 PolarHBondContact O-N 2.89Å |
| 92 | V | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 109.2 | 179.1 | -175.7 | 0 | 0 | 0 | 0 | 109.6 | V90 K94 M100 I102 L113 I117 L145 V170 F172 | V90-V92 HydrophobicContact CG1-CG2 4.24Å; V90-V92 PolarHBondContact O-N 3.34Å; V92-K94 PolarHBondContact O-N 3.26Å; V92-M100 HydrophobicContact CB-CB 4.41Å; V92-M100 HydrophobicContact CB-CE 3.92Å; V92-M100 HydrophobicContact CG1-CE 3.61Å; V92-M100 PolarHBondContact N-O 3.13Å; V92-M100 PolarHBondContact O-N 3.41Å; V92-I102 HydrophobicContact CB-CG1 4.09Å; V92-I102 HydrophobicContact CG2-CB 4.26Å; V92-I102 HydrophobicContact CG2-CG1 3.59Å; V92-L113 HydrophobicContact CG2-CD1 4.31Å; V92-I117 HydrophobicContact CG1-CD1 4.02Å; V92-I117 HydrophobicContact CG1-CG1 4.38Å; V92-I117 HydrophobicContact CG2-CD1 3.99Å; V92-I117 HydrophobicContact CG2-CG1 4.06Å; V92-L145 HydrophobicContact CG1-CD2 4.29Å; V92-V170 CarbonylContact C-O 3.57Å; V92-V170 WeakPolarHBondContact CA-O 3.34Å; V92-F172 HydrophobicContact CG1-CD2 3.96Å; V92-F172 HydrophobicContact CG1-CE2 3.53Å; V92-F172 HydrophobicContact CG1-CZ 4.49Å |
| 93 | L | 94.6 | Very high | 92.5 | Very high | 41 Ų | 41 | 58.2 Ų | 58.2 | 22% | 0.215 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 112.8 | 176.2 | -84.6 | 156.9 | 0 | 0 | 0 | 110.4 | I99 E169 V170 T171 F172 | L93-I99 HydrophobicContact CD2-CD1 4.36Å; L93-I99 HydrophobicContact CD2-CG1 3.69Å; L93-I99 HydrophobicContact CG-CG1 4.38Å; L93-E169 HydrophobicContact CD1-CB 4.13Å; L93-E169 HydrophobicContact CD1-CG 4.43Å; L93-V170 PolarHBondContact N-O 3.15Å; L93-T171 HydrophobicContact CB-CG2 3.83Å; L93-T171 HydrophobicContact CD1-CG2 3.69Å; L93-T171 HydrophobicContact CG-CG2 4.42Å; L93-F172 PolarHBondContact O-N 2.91Å |
| 94 | K | 89.8 | Confident | 92.7 | Very high | 66 Ų | 66 | 51 Ų | 51 | 29% | 0.287 | 29% | 0.287 | S | S | . | . | trans | -79.4 | 159.2 | 176.1 | -168.4 | 172.3 | 155.8 | -126.4 | 0 | 110.6 | V92 D96 G97 E98 M100 | V92-K94 PolarHBondContact O-N 3.26Å; K94-D96 WeakPolarHBondContact CB-OD1 3.37Å; K94-D96 WeakPolarHBondContact CD-OD1 3.35Å; K94-D96 VanDerWaalsContact CE-OD2 3.29Å; K94-D96 WeakPolarHBondContact CE-OD2 3.42Å; K94-D96 WeakPolarHBondContact CG-OD1 3.35Å; K94-D96 IonicContact NZ-OD1 3.41Å; K94-D96 IonicContact NZ-OD2 2.61Å; K94-D96 PolarHBondContact NZ-OD2 2.91Å; K94-D96 PolarHBondContact O-N 3.33Å; K94-D96 VanDerWaalsContact O-N 3.13Å; K94-G97 PolarHBondContact O-N 3.12Å; K94-E98 HydrophobicContact CB-CB 4.21Å; K94-E98 WeakPolarHBondContact CB-O 3.47Å; K94-E98 HydrophobicContact CD-CB 4.24Å; K94-E98 PolarHBondContact N-O 3.48Å; K94-E98 IonicContact NZ-OE2 3.8Å; K94-E98 PolarHBondContact NZ-OE2 3.1Å; K94-M100 HydrophobicContact CB-CE 4.12Å; K94-M100 HydrophobicContact CD-SD 4.08Å | ||
| 95 | A | 80.3 | Confident | 92.8 | Very high | 84 Ų | 84 | 47.2 Ų | 47.2 | 69% | 0.694 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -11.3 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 96 | D | 82.9 | Confident | 92.8 | Very high | 106 Ų | 106 | 49.5 Ų | 49.5 | 57% | 0.567 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | 2.1 | 173.4 | 53.8 | 3.4 | 0 | 0 | 0 | 113.4 | K94 E98 | K94-D96 WeakPolarHBondContact CB-OD1 3.37Å; K94-D96 WeakPolarHBondContact CD-OD1 3.35Å; K94-D96 VanDerWaalsContact CE-OD2 3.29Å; K94-D96 WeakPolarHBondContact CE-OD2 3.42Å; K94-D96 WeakPolarHBondContact CG-OD1 3.35Å; K94-D96 IonicContact NZ-OD1 3.41Å; K94-D96 IonicContact NZ-OD2 2.61Å; K94-D96 PolarHBondContact NZ-OD2 2.91Å; K94-D96 PolarHBondContact O-N 3.33Å; K94-D96 VanDerWaalsContact O-N 3.13Å; D96-E98 WeakPolarHBondContact OD1-CB 3.21Å; D96-E98 PolarHBondContact OD1-N 2.97Å |
| 97 | G | 83.9 | Confident | 92.8 | Very high | 53 Ų | 53 | 47.8 Ų | 47.8 | 55% | 0.546 | 28% | 0.279 | S | S | . | . | S | Bend | trans | 89.1 | -0.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | K94 | K94-G97 PolarHBondContact O-N 3.12Š|
| 98 | E | 91.1 | Very high | 92.7 | Very high | 59 Ų | 59 | 47.7 Ų | 47.7 | 28% | 0.276 | 28% | 0.278 | S | S | . | . | trans | -68.1 | 135.2 | 173 | -168.7 | -172.3 | 174.1 | 0 | 0 | 110.8 | K94 D96 K124 | K94-E98 HydrophobicContact CB-CB 4.21Å; K94-E98 WeakPolarHBondContact CB-O 3.47Å; K94-E98 HydrophobicContact CD-CB 4.24Å; K94-E98 PolarHBondContact N-O 3.48Å; K94-E98 IonicContact NZ-OE2 3.8Å; K94-E98 PolarHBondContact NZ-OE2 3.1Å; D96-E98 WeakPolarHBondContact OD1-CB 3.21Å; D96-E98 PolarHBondContact OD1-N 2.97Å; E98-K124 IonicContact OE1-NZ 2.95Å; E98-K124 PolarHBondContact OE1-NZ 3.39Å; E98-K124 IonicContact OE2-NZ 3.53Å | ||
| 99 | I | 93.9 | Very high | 92.8 | Very high | 86 Ų | 86 | 48.6 Ų | 48.6 | 44% | 0.441 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 120.4 | 175.2 | -56.7 | 176.3 | 0 | 0 | 0 | 108.9 | K91 L93 | K91-I99 HydrophobicContact CB-CG2 3.87Å; K91-I99 HydrophobicContact CD-CG2 4.43Å; K91-I99 HydrophobicContact CG-CG2 4.07Å; L93-I99 HydrophobicContact CD2-CD1 4.36Å; L93-I99 HydrophobicContact CD2-CG1 3.69Å; L93-I99 HydrophobicContact CG-CG1 4.38Å |
| 100 | M | 94.1 | Very high | 92.9 | Very high | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.02 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 113 | 176.6 | -57.4 | 175.4 | -62.7 | 0 | 0 | 109.4 | V92 K94 I102 I117 F120 M121 F172 | V92-M100 HydrophobicContact CB-CB 4.41Å; V92-M100 HydrophobicContact CB-CE 3.92Å; V92-M100 HydrophobicContact CG1-CE 3.61Å; V92-M100 PolarHBondContact N-O 3.13Å; V92-M100 PolarHBondContact O-N 3.41Å; K94-M100 HydrophobicContact CB-CE 4.12Å; K94-M100 HydrophobicContact CD-SD 4.08Å; M100-I102 HydrophobicContact CB-CD1 3.95Å; M100-I102 HydrophobicContact CB-CG1 4.35Å; M100-I102 PolarHBondContact O-N 2.69Å; M100-I117 HydrophobicContact CE-CG2 4.48Å; M100-F120 HydrophobicContact CB-CD1 4.19Å; M100-F120 HydrophobicContact CB-CE1 3.79Å; M100-F120 HydrophobicContact CG-CD1 4.47Å; M100-F120 HydrophobicContact CG-CE1 3.99Å; M100-M121 HydrophobicContact CG-CE 4.11Å; M100-M121 HydrophobicContact SD-CE 3.46Å; M100-M121 WeakPolarHBondContact SD-CE 3.27Å; M100-M121 HydrophobicContact SD-CG 4.14Å; M100-M121 HydrophobicContact SD-SD 3.77Å; M100-F172 HydrophobicContact CE-CE2 3.98Å |
| 101 | P | 94.4 | Very high | 92.9 | Very high | 69 Ų | 69 | 50.3 Ų | 50.3 | 45% | 0.448 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 97.7 | 175.5 | 30.7 | -32.5 | 0 | 0 | 0 | 109.9 | T89 | T89-P101 HydrophobicContact CG2-CB 3.81Å |
| 102 | I | 95.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 121.7 | -178.3 | -52.8 | -57.8 | 0 | 0 | 0 | 109.6 | T89 V90 V92 M100 V104 L113 A116 I117 F120 | T89-I102 CarbonylContact C-O 3.55Å; T89-I102 WeakPolarHBondContact CA-O 3.15Å; V90-I102 PolarHBondContact N-O 2.86Å; V90-I102 PolarHBondContact O-N 3.38Å; V92-I102 HydrophobicContact CB-CG1 4.09Å; V92-I102 HydrophobicContact CG2-CB 4.26Å; V92-I102 HydrophobicContact CG2-CG1 3.59Å; M100-I102 HydrophobicContact CB-CD1 3.95Å; M100-I102 HydrophobicContact CB-CG1 4.35Å; M100-I102 PolarHBondContact O-N 2.69Å; I102-V104 HydrophobicContact CG2-CG1 4.14Å; I102-L113 HydrophobicContact CB-CD1 4.37Å; I102-L113 HydrophobicContact CG2-CD1 4.03Å; I102-A116 HydrophobicContact CG2-CB 3.42Å; I102-A116 VanDerWaalsContact CG2-CB 3.42Å; I102-I117 HydrophobicContact CD1-CG1 4.25Å; I102-I117 HydrophobicContact CG1-CG1 3.89Å; I102-I117 HydrophobicContact CG2-CG1 4.46Å; I102-F120 HydrophobicContact CD1-CB 3.56Å; I102-F120 HydrophobicContact CD1-CD1 3.63Å; I102-F120 HydrophobicContact CD1-CD2 4.09Å; I102-F120 HydrophobicContact CD1-CE1 4.36Å; I102-F120 HydrophobicContact CD1-CG 3.48Å; I102-F120 VanDerWaalsContact CD1-CG 3.48Å |
| 103 | V | 94.9 | Very high | 92.9 | Very high | 43 Ų | 43 | 49.9 Ų | 49.9 | 26% | 0.261 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 130.6 | 174.8 | -174.4 | 0 | 0 | 0 | 0 | 109.6 | L82 A87 | L82-V103 HydrophobicContact CD1-CB 4.48Å; L82-V103 HydrophobicContact CD1-CG1 3.83Å; L82-V103 HydrophobicContact CD1-CG2 3.75Å; L82-V103 HydrophobicContact CD2-CG1 4.12Å; L82-V103 HydrophobicContact CG-CG1 3.83Å; A87-V103 HydrophobicContact CB-CG1 3.82Å |
| 104 | V | 95.8 | Very high | 92.9 | Very high | 10 Ų | 10 | 49.3 Ų | 49.3 | 6% | 0.061 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 151.1 | 177.6 | -67 | 0 | 0 | 0 | 0 | 110.6 | A87 M88 V90 I102 A108 L113 A116 L159 | A87-V104 CarbonylContact C-O 3.6Å; A87-V104 VanDerWaalsContact CA-O 3.25Å; A87-V104 WeakPolarHBondContact CA-O 3.24Å; A87-V104 WeakPolarHBondContact CB-O 3.49Å; M88-V104 HydrophobicContact CE-CG2 3.97Å; M88-V104 HydrophobicContact CG-CG2 3.88Å; M88-V104 PolarHBondContact N-O 2.84Å; M88-V104 PolarHBondContact O-N 3.2Å; V90-V104 HydrophobicContact CG2-CG2 3.89Å; I102-V104 HydrophobicContact CG2-CG1 4.14Å; V104-A108 HydrophobicContact CB-CB 3.91Å; V104-A108 HydrophobicContact CG2-CB 4.35Å; V104-L113 HydrophobicContact CG1-CD1 3.97Å; V104-A116 HydrophobicContact CG1-CB 3.93Å; V104-L159 HydrophobicContact CG2-CD1 3.78Å |
| 105 | V | 94.8 | Very high | 93.2 | Very high | 96 Ų | 96 | 51.6 Ų | 51.6 | 58% | 0.582 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 145.8 | 174.2 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | N107 A108 | V105-N107 PolarHBondContact O-N 3.43Å; V105-A108 WeakPolarHBondContact O-CB 3.37Å; V105-A108 PolarHBondContact O-N 3.31Å |
| 106 | Q | 92.3 | Very high | 93.9 | Very high | 81 Ų | 81 | 48.6 Ų | 48.6 | 38% | 0.379 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | -31.8 | -179 | -95.9 | -150 | 34 | 0 | 0 | 114.7 | G85 Q86 K160 | G85-Q106 PolarHBondContact O-NE2 3.12Å; Q86-Q106 WeakPolarHBondContact O-CB 3.23Å; Q86-Q106 WeakPolarHBondContact O-CG 3.45Å; Q86-Q106 PolarHBondContact O-N 3.36Å; Q106-K160 VanDerWaalsContact O-CD 3.27Å; Q106-K160 WeakPolarHBondContact O-CD 2.88Å; Q106-K160 WeakPolarHBondContact O-CE 3.38Å; Q106-K160 PolarHBondContact O-NZ 3Å |
| 107 | N | 92.8 | Very high | 94.5 | Very high | 88 Ų | 88 | 43.5 Ų | 43.5 | 47% | 0.471 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.8 | 18.3 | -178.6 | -61.3 | -22.9 | 0 | 0 | 0 | 112.5 | V105 K160 | V105-N107 PolarHBondContact O-N 3.43Å; N107-K160 PolarHBondContact OD1-NZ 2.89Å |
| 108 | A | 95.3 | Very high | 95 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 4% | 0.041 | 23% | 0.229 | C | C | . | . | trans | -58.7 | 148.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V104 V105 D112 R158 L159 | V104-A108 HydrophobicContact CB-CB 3.91Å; V104-A108 HydrophobicContact CG2-CB 4.35Å; V105-A108 WeakPolarHBondContact O-CB 3.37Å; V105-A108 PolarHBondContact O-N 3.31Å; A108-D112 HydrophobicContact CB-CB 4.06Å; A108-R158 WeakPolarHBondContact O-CA 3.15Å; A108-L159 HydrophobicContact CB-CD1 4.09Å; A108-L159 PolarHBondContact O-N 3.02Å | ||
| 109 | T | 97.6 | Very high | 95 | Very high | 28 Ų | 28 | 42.9 Ų | 42.9 | 17% | 0.172 | 23% | 0.229 | C | C | . | . | B | Isolated β-bridge | trans | -88.9 | 169.2 | 173.1 | 64.8 | 0 | 0 | 0 | 0 | 111.8 | L111 D112 L113 D155 T156 M157 | T109-L111 PolarHBondContact O-N 2.92Å; T109-L111 PolarHBondContact OG1-N 2.83Å; T109-D112 WeakPolarHBondContact CB-OD2 3.42Å; T109-D112 PolarHBondContact N-OD2 3.44Å; T109-D112 PolarHBondContact O-N 2.87Å; T109-D112 VanDerWaalsContact O-N 3.16Å; T109-D112 PolarHBondContact OG1-N 3.39Å; T109-D112 PolarHBondContact OG1-OD2 3.19Å; T109-L113 PolarHBondContact O-N 3.41Å; T109-L113 VanDerWaalsContact O-N 3.08Å; T109-D155 WeakPolarHBondContact CB-O 3.39Å; T109-D155 PolarHBondContact OG1-O 2.87Å; T109-T156 WeakPolarHBondContact CG2-O 3.36Å; T109-M157 WeakPolarHBondContact CA-O 3.24Å |
| 110 | V | 96.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -57.4 | -36.5 | 168.4 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | D112 L113 K114 L152 D154 M157 L159 Y162 | V110-D112 VanDerWaalsContact C-N 3.32Å; V110-D112 PolarHBondContact O-N 3.03Å; V110-L113 PolarHBondContact O-N 3.18Å; V110-K114 HydrophobicContact CG1-CD 4.19Å; V110-K114 WeakPolarHBondContact O-CG 3.49Å; V110-K114 PolarHBondContact O-N 3.25Å; V110-L152 HydrophobicContact CG1-CB 3.81Å; V110-L152 HydrophobicContact CG2-CB 3.86Å; V110-L152 HydrophobicContact CG2-CD2 4.06Å; V110-L152 HydrophobicContact CG2-CG 3.99Å; V110-D154 VanDerWaalsContact CB-O 3.23Å; V110-D154 WeakPolarHBondContact CB-O 3.44Å; V110-D154 VanDerWaalsContact CG2-O 3.28Å; V110-D154 WeakPolarHBondContact CG2-O 3.45Å; V110-M157 PolarHBondContact N-O 2.97Å; V110-M157 VanDerWaalsContact N-O 3.1Å; V110-L159 HydrophobicContact CG2-CD2 4.17Å; V110-Y162 HydrophobicContact CG2-CD2 3.98Å; V110-Y162 HydrophobicContact CG2-CE2 3.49Å; V110-Y162 VanDerWaalsContact CG2-CE2 3.49Å |
| 111 | L | 96.9 | Very high | 94.8 | Very high | 68 Ų | 68 | 42.6 Ų | 42.6 | 36% | 0.356 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -61.9 | -41.2 | 175.5 | -179.2 | 62.6 | 0 | 0 | 0 | 111.8 | T109 K114 K115 D155 | T109-L111 PolarHBondContact O-N 2.92Å; T109-L111 PolarHBondContact OG1-N 2.83Å; L111-K114 PolarHBondContact O-N 3.34Å; L111-K115 HydrophobicContact CG-CD 4.47Å; L111-K115 WeakPolarHBondContact O-CG 3.24Å; L111-K115 PolarHBondContact O-N 3.46Å; L111-D155 HydrophobicContact CB-CB 4.01Å; L111-D155 VanDerWaalsContact CB-O 3.23Å; L111-D155 WeakPolarHBondContact CB-O 3.42Å; L111-D155 PolarHBondContact N-O 3.35Å; L111-D155 VanDerWaalsContact N-O 3.17Å |
| 112 | D | 96.3 | Very high | 94.5 | Very high | 59 Ų | 59 | 43.7 Ų | 43.7 | 32% | 0.316 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -69.6 | -37.6 | 179.6 | -55.3 | -43.9 | 0 | 0 | 0 | 111.4 | A108 T109 V110 K114 K115 A116 | A108-D112 HydrophobicContact CB-CB 4.06Å; T109-D112 WeakPolarHBondContact CB-OD2 3.42Å; T109-D112 PolarHBondContact N-OD2 3.44Å; T109-D112 PolarHBondContact O-N 2.87Å; T109-D112 VanDerWaalsContact O-N 3.16Å; T109-D112 PolarHBondContact OG1-N 3.39Å; T109-D112 PolarHBondContact OG1-OD2 3.19Å; V110-D112 VanDerWaalsContact C-N 3.32Å; V110-D112 PolarHBondContact O-N 3.03Å; D112-K114 PolarHBondContact O-N 2.89Å; D112-K115 PolarHBondContact O-N 3.01Å; D112-K115 IonicContact OD1-NZ 3.91Å; D112-K115 PolarHBondContact OD1-NZ 2.66Å; D112-A116 WeakPolarHBondContact O-CB 2.99Å; D112-A116 PolarHBondContact O-N 2.62Å |
| 113 | L | 96 | Very high | 94.2 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.4 | -43.8 | 170.2 | -177.8 | 61.5 | 0 | 0 | 0 | 111.8 | V90 V92 I102 V104 T109 V110 A116 I117 L145 L152 L159 | V90-L113 HydrophobicContact CB-CD1 4.17Å; V90-L113 HydrophobicContact CG1-CD1 4.24Å; V90-L113 HydrophobicContact CG1-CD2 4.45Å; V92-L113 HydrophobicContact CG2-CD1 4.31Å; I102-L113 HydrophobicContact CB-CD1 4.37Å; I102-L113 HydrophobicContact CG2-CD1 4.03Å; V104-L113 HydrophobicContact CG1-CD1 3.97Å; T109-L113 PolarHBondContact O-N 3.41Å; T109-L113 VanDerWaalsContact O-N 3.08Å; V110-L113 PolarHBondContact O-N 3.18Å; L113-A116 PolarHBondContact O-N 2.69Å; L113-I117 HydrophobicContact CD1-CD1 4.35Å; L113-I117 HydrophobicContact CG-CD1 4.04Å; L113-I117 WeakPolarHBondContact O-CD1 3.33Å; L113-I117 VanDerWaalsContact O-CG1 3.24Å; L113-I117 WeakPolarHBondContact O-CG1 3.32Å; L113-I117 PolarHBondContact O-N 3.28Å; L113-L145 HydrophobicContact CD2-CD1 4.08Å; L113-L145 HydrophobicContact CG-CD1 4.32Å; L113-L152 HydrophobicContact CD2-CD2 4.13Å; L113-L159 HydrophobicContact CB-CD1 4.09Å; L113-L159 HydrophobicContact CB-CD2 4.02Å; L113-L159 HydrophobicContact CD2-CD1 4.35Å; L113-L159 HydrophobicContact CD2-CD2 3.71Å; L113-L159 HydrophobicContact CG-CD2 4.49Å |
| 114 | K | 96.2 | Very high | 94 | Very high | 28 Ų | 28 | 44.8 Ų | 44.8 | 12% | 0.122 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.2 | -44.7 | 175.7 | -72.6 | 168.6 | -177.4 | 164.2 | 0 | 111.5 | V110 L111 D112 I117 C118 W140 L145 D155 | V110-K114 HydrophobicContact CG1-CD 4.19Å; V110-K114 WeakPolarHBondContact O-CG 3.49Å; V110-K114 PolarHBondContact O-N 3.25Å; L111-K114 PolarHBondContact O-N 3.34Å; D112-K114 PolarHBondContact O-N 2.89Å; K114-I117 PolarHBondContact O-N 3.14Å; K114-C118 PolarHBondContact O-N 3.16Å; K114-C118 PolarHBondContact O-SG 3.02Å; K114-W140 HydrophobicContact CB-CH2 4.13Å; K114-W140 HydrophobicContact CB-CZ2 3.82Å; K114-W140 HydrophobicContact CD-CD2 4.38Å; K114-W140 HydrophobicContact CD-CE3 4.4Å; K114-W140 HydrophobicContact CG-CD2 4.22Å; K114-W140 HydrophobicContact CG-CE3 4.08Å; K114-W140 HydrophobicContact CG-CH2 3.98Å; K114-W140 HydrophobicContact CG-CZ2 4.1Å; K114-W140 HydrophobicContact CG-CZ3 3.95Å; K114-W140 WeakPolarHBondContact O-CZ2 3.41Å; K114-L145 HydrophobicContact CG-CD1 3.96Å; K114-D155 WeakPolarHBondContact CD-OD1 3.47Å; K114-D155 WeakPolarHBondContact CE-OD1 3.47Å; K114-D155 IonicContact NZ-OD1 2.74Å; K114-D155 PolarHBondContact NZ-OD1 3.38Å; K114-D155 IonicContact NZ-OD2 3.26Å |
| 115 | K | 95.7 | Very high | 93.6 | Very high | 115 Ų | 115 | 46.4 Ų | 46.4 | 50% | 0.5 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.3 | -46.1 | 174.9 | -71.1 | 169.3 | -174.7 | 160.7 | 0 | 111.9 | L111 D112 I117 C118 R119 | L111-K115 HydrophobicContact CG-CD 4.47Å; L111-K115 WeakPolarHBondContact O-CG 3.24Å; L111-K115 PolarHBondContact O-N 3.46Å; D112-K115 PolarHBondContact O-N 3.01Å; D112-K115 IonicContact OD1-NZ 3.91Å; D112-K115 PolarHBondContact OD1-NZ 2.66Å; K115-I117 VanDerWaalsContact C-N 3.33Å; K115-I117 PolarHBondContact O-N 3.01Å; K115-C118 WeakPolarHBondContact O-CB 3.33Å; K115-C118 PolarHBondContact O-N 2.94Å; K115-C118 VanDerWaalsContact O-N 3.12Å; K115-R119 WeakPolarHBondContact O-CB 3.42Å; K115-R119 PolarHBondContact O-N 3.02Å |
| 116 | A | 95.1 | Very high | 93.2 | Very high | 20 Ų | 20 | 47.2 Ų | 47.2 | 17% | 0.165 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.1 | -37.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | I102 V104 D112 L113 R119 F120 | I102-A116 HydrophobicContact CG2-CB 3.42Å; I102-A116 VanDerWaalsContact CG2-CB 3.42Å; V104-A116 HydrophobicContact CG1-CB 3.93Å; D112-A116 WeakPolarHBondContact O-CB 2.99Å; D112-A116 PolarHBondContact O-N 2.62Å; L113-A116 PolarHBondContact O-N 2.69Å; A116-R119 PolarHBondContact O-N 2.65Å; A116-F120 VanDerWaalsContact O-CB 3.23Å; A116-F120 WeakPolarHBondContact O-CB 3.42Å; A116-F120 PolarHBondContact O-N 2.94Å |
| 117 | I | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.3 | -45.6 | 170.7 | -66.5 | 158.9 | 0 | 0 | 0 | 111.3 | V92 M100 I102 L113 K114 K115 R119 M121 W136 W140 L145 F172 | V92-I117 HydrophobicContact CG1-CD1 4.02Å; V92-I117 HydrophobicContact CG1-CG1 4.38Å; V92-I117 HydrophobicContact CG2-CD1 3.99Å; V92-I117 HydrophobicContact CG2-CG1 4.06Å; M100-I117 HydrophobicContact CE-CG2 4.48Å; I102-I117 HydrophobicContact CD1-CG1 4.25Å; I102-I117 HydrophobicContact CG1-CG1 3.89Å; I102-I117 HydrophobicContact CG2-CG1 4.46Å; L113-I117 HydrophobicContact CD1-CD1 4.35Å; L113-I117 HydrophobicContact CG-CD1 4.04Å; L113-I117 WeakPolarHBondContact O-CD1 3.33Å; L113-I117 VanDerWaalsContact O-CG1 3.24Å; L113-I117 WeakPolarHBondContact O-CG1 3.32Å; L113-I117 PolarHBondContact O-N 3.28Å; K114-I117 PolarHBondContact O-N 3.14Å; K115-I117 VanDerWaalsContact C-N 3.33Å; K115-I117 PolarHBondContact O-N 3.01Å; I117-R119 VanDerWaalsContact C-N 3.31Å; I117-R119 PolarHBondContact O-N 2.99Å; I117-M121 WeakPolarHBondContact O-CB 3.27Å; I117-M121 WeakPolarHBondContact O-CG 3.34Å; I117-M121 PolarHBondContact O-N 3.47Å; I117-W136 HydrophobicContact CG2-CH2 3.82Å; I117-W136 HydrophobicContact CG2-CZ3 3.91Å; I117-W140 HydrophobicContact CB-CH2 4.07Å; I117-W140 HydrophobicContact CB-CZ2 4.43Å; I117-W140 HydrophobicContact CD1-CH2 3.93Å; I117-W140 HydrophobicContact CG2-CH2 3.92Å; I117-W140 HydrophobicContact CG2-CZ2 4.39Å; I117-L145 HydrophobicContact CD1-CD1 3.82Å; I117-L145 HydrophobicContact CD1-CD2 4.03Å; I117-F172 HydrophobicContact CG2-CZ 4.26Å |
| 118 | C | 93.8 | Very high | 92.6 | Very high | 28 Ų | 28 | 49.3 Ų | 49.3 | 19% | 0.189 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.6 | -48.5 | 176 | -63.5 | 0 | 0 | 0 | 0 | 111 | K114 K115 M121 E122 W136 | K114-C118 PolarHBondContact O-N 3.16Å; K114-C118 PolarHBondContact O-SG 3.02Å; K115-C118 WeakPolarHBondContact O-CB 3.33Å; K115-C118 PolarHBondContact O-N 2.94Å; K115-C118 VanDerWaalsContact O-N 3.12Å; C118-M121 PolarHBondContact O-N 3.26Å; C118-E122 WeakPolarHBondContact O-CB 3.42Å; C118-E122 PolarHBondContact O-N 2.74Å; C118-W136 HydrophobicContact CB-CD2 4.11Å; C118-W136 HydrophobicContact CB-CG 4.28Å; C118-W136 HydrophobicContact CB-CZ2 4.48Å |
| 119 | R | 92.3 | Very high | 91.8 | Very high | 71 Ų | 71 | 52.2 Ų | 52.2 | 27% | 0.268 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.2 | -45.2 | -174.9 | -174.6 | 56.7 | 171.1 | 152.5 | 9 | 112.8 | E74 K115 A116 I117 M121 E122 L123 | E74-R119 IonicContact OE2-CZ 3.71Å; E74-R119 IonicContact OE2-NE 3.25Å; E74-R119 PolarHBondContact OE2-NE 3.34Å; E74-R119 IonicContact OE2-NH2 2.72Å; E74-R119 PolarHBondContact OE2-NH2 3.4Å; K115-R119 WeakPolarHBondContact O-CB 3.42Å; K115-R119 PolarHBondContact O-N 3.02Å; A116-R119 PolarHBondContact O-N 2.65Å; I117-R119 VanDerWaalsContact C-N 3.31Å; I117-R119 PolarHBondContact O-N 2.99Å; R119-M121 VanDerWaalsContact C-N 3.3Å; R119-M121 PolarHBondContact O-N 3.14Å; R119-E122 WeakPolarHBondContact CD-OE2 3.32Å; R119-E122 IonicContact CZ-OE2 2.62Å; R119-E122 IonicContact NH1-OE2 2.8Å; R119-E122 PolarHBondContact NH1-OE2 2.72Å; R119-E122 PolarHBondContact O-N 3.08Å; R119-L123 HydrophobicContact CG-CD1 4.19Å; R119-L123 WeakPolarHBondContact O-CG 3.32Å; R119-L123 PolarHBondContact O-N 2.68Å |
| 120 | F | 91.9 | Very high | 90.9 | Very high | 64 Ų | 64 | 52.4 Ų | 52.4 | 28% | 0.281 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.7 | -43.4 | 175.1 | 177.8 | -93.9 | 0 | 0 | 0 | 111.8 | M100 I102 A116 K124 | M100-F120 HydrophobicContact CB-CD1 4.19Å; M100-F120 HydrophobicContact CB-CE1 3.79Å; M100-F120 HydrophobicContact CG-CD1 4.47Å; M100-F120 HydrophobicContact CG-CE1 3.99Å; I102-F120 HydrophobicContact CD1-CB 3.56Å; I102-F120 HydrophobicContact CD1-CD1 3.63Å; I102-F120 HydrophobicContact CD1-CD2 4.09Å; I102-F120 HydrophobicContact CD1-CE1 4.36Å; I102-F120 HydrophobicContact CD1-CG 3.48Å; I102-F120 VanDerWaalsContact CD1-CG 3.48Å; A116-F120 VanDerWaalsContact O-CB 3.23Å; A116-F120 WeakPolarHBondContact O-CB 3.42Å; A116-F120 PolarHBondContact O-N 2.94Å; F120-K124 VanDerWaalsContact O-CB 3.24Å; F120-K124 WeakPolarHBondContact O-CB 3.37Å; F120-K124 PolarHBondContact O-N 3.13Å |
| 121 | M | 90.6 | Very high | 89.3 | Confident | 20 Ų | 20 | 59 Ų | 59 | 10% | 0.099 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -71.4 | -33.5 | 177.5 | -76.2 | -77.2 | 98.9 | 0 | 0 | 113.5 | M100 I117 C118 R119 K124 Q125 I134 W136 | M100-M121 HydrophobicContact CG-CE 4.11Å; M100-M121 HydrophobicContact SD-CE 3.46Å; M100-M121 WeakPolarHBondContact SD-CE 3.27Å; M100-M121 HydrophobicContact SD-CG 4.14Å; M100-M121 HydrophobicContact SD-SD 3.77Å; I117-M121 WeakPolarHBondContact O-CB 3.27Å; I117-M121 WeakPolarHBondContact O-CG 3.34Å; I117-M121 PolarHBondContact O-N 3.47Å; C118-M121 PolarHBondContact O-N 3.26Å; R119-M121 VanDerWaalsContact C-N 3.3Å; R119-M121 PolarHBondContact O-N 3.14Å; M121-K124 HydrophobicContact CE-CB 4.4Å; M121-K124 HydrophobicContact CE-CD 3.6Å; M121-Q125 WeakPolarHBondContact O-CB 3.39Å; M121-Q125 PolarHBondContact O-N 2.98Å; M121-I134 HydrophobicContact CB-CD1 4.25Å; M121-W136 HydrophobicContact CB-CH2 4.15Å; M121-W136 HydrophobicContact CB-CZ2 3.66Å; M121-W136 HydrophobicContact CG-CH2 3.95Å; M121-W136 HydrophobicContact CG-CZ2 4Å |
| 122 | E | 89.8 | Confident | 88.4 | Confident | 92 Ų | 92 | 64 Ų | 64 | 43% | 0.43 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.6 | -52.2 | 172.1 | 178.7 | -179.4 | -117.7 | 0 | 0 | 111.1 | C118 R119 K124 Q125 Q126 | C118-E122 WeakPolarHBondContact O-CB 3.42Å; C118-E122 PolarHBondContact O-N 2.74Å; R119-E122 WeakPolarHBondContact CD-OE2 3.32Å; R119-E122 IonicContact CZ-OE2 2.62Å; R119-E122 IonicContact NH1-OE2 2.8Å; R119-E122 PolarHBondContact NH1-OE2 2.72Å; R119-E122 PolarHBondContact O-N 3.08Å; E122-K124 PolarHBondContact O-N 2.92Å; E122-Q125 PolarHBondContact O-N 3.45Å; E122-Q126 WeakPolarHBondContact O-CG 3.23Å; E122-Q126 PolarHBondContact O-N 3.29Å |
| 123 | L | 89.6 | Confident | 87.7 | Confident | 11 Ų | 11 | 69.3 Ų | 69.3 | 6% | 0.058 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.9 | -44.4 | 177.8 | -70.7 | 172 | 0 | 0 | 0 | 112.2 | T72 E75 R119 Q125 Q126 R127 | T72-L123 HydrophobicContact CG2-CD2 3.77Å; E75-L123 HydrophobicContact CG-CD1 4.44Å; R119-L123 HydrophobicContact CG-CD1 4.19Å; R119-L123 WeakPolarHBondContact O-CG 3.32Å; R119-L123 PolarHBondContact O-N 2.68Å; L123-Q125 VanDerWaalsContact C-N 3.31Å; L123-Q125 PolarHBondContact O-N 2.87Å; L123-Q126 PolarHBondContact O-N 2.72Å; L123-R127 WeakPolarHBondContact O-CG 3.32Å; L123-R127 PolarHBondContact O-N 3.15Å; L123-R127 VanDerWaalsContact O-N 3.14Å |
| 124 | K | 88.9 | Confident | 87.3 | Confident | 56 Ų | 56 | 72 Ų | 72 | 24% | 0.243 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.7 | -45.8 | 174.6 | -175.4 | -177 | 175.8 | -172.3 | 0 | 111 | E98 F120 M121 E122 R127 E128 | E98-K124 IonicContact OE1-NZ 2.95Å; E98-K124 PolarHBondContact OE1-NZ 3.39Å; E98-K124 IonicContact OE2-NZ 3.53Å; F120-K124 VanDerWaalsContact O-CB 3.24Å; F120-K124 WeakPolarHBondContact O-CB 3.37Å; F120-K124 PolarHBondContact O-N 3.13Å; M121-K124 HydrophobicContact CE-CB 4.4Å; M121-K124 HydrophobicContact CE-CD 3.6Å; E122-K124 PolarHBondContact O-N 2.92Å; K124-R127 PolarHBondContact O-N 2.86Å; K124-E128 WeakPolarHBondContact CE-OE1 3.47Å; K124-E128 IonicContact NZ-OE1 3.96Å; K124-E128 WeakPolarHBondContact O-CB 3.33Å; K124-E128 WeakPolarHBondContact O-CG 3.48Å; K124-E128 PolarHBondContact O-N 3.22Å |
| 125 | Q | 88.2 | Confident | 87.1 | Confident | 44 Ų | 44 | 73.6 Ų | 73.6 | 21% | 0.206 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -69.7 | -37.9 | -177.2 | -178.6 | 169.7 | 113.6 | 0 | 0 | 112.9 | M121 E122 L123 E128 G129 G130 K132 | M121-Q125 WeakPolarHBondContact O-CB 3.39Å; M121-Q125 PolarHBondContact O-N 2.98Å; E122-Q125 PolarHBondContact O-N 3.45Å; L123-Q125 VanDerWaalsContact C-N 3.31Å; L123-Q125 PolarHBondContact O-N 2.87Å; Q125-E128 PolarHBondContact O-N 3.23Å; Q125-G129 PolarHBondContact O-N 3.09Å; Q125-G130 VanDerWaalsContact CG-O 3.31Å; Q125-G130 WeakPolarHBondContact CG-O 3.4Å; Q125-G130 PolarHBondContact O-N 2.95Å; Q125-K132 PolarHBondContact NE2-O 3.48Å; Q125-K132 PolarHBondContact OE1-O 2.91Å |
| 126 | Q | 86.5 | Confident | 87 | Confident | 113 Ų | 113 | 70.8 Ų | 70.8 | 53% | 0.528 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.4 | -47.2 | 173.1 | -74.2 | 169.8 | -8.5 | 0 | 0 | 111 | E122 L123 G129 | E122-Q126 WeakPolarHBondContact O-CG 3.23Å; E122-Q126 PolarHBondContact O-N 3.29Å; L123-Q126 PolarHBondContact O-N 2.72Å; Q126-G129 PolarHBondContact O-N 3.49Å; Q126-G129 VanDerWaalsContact O-N 3.17Å |
| 127 | R | 87.1 | Confident | 86.9 | Confident | 81 Ų | 81 | 80 Ų | 80 | 31% | 0.306 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.8 | -35.9 | 177.8 | -69.5 | 169.8 | -178.8 | 145.6 | 9.1 | 113.7 | Q70 E75 L123 K124 G129 | Q70-R127 PolarHBondContact O-NE 2.88Å; Q70-R127 PolarHBondContact O-NH2 2.81Å; E75-R127 IonicContact OE1-CZ 2.82Å; E75-R127 VanDerWaalsContact OE1-CZ 3.25Å; E75-R127 IonicContact OE1-NH1 2.85Å; E75-R127 PolarHBondContact OE1-NH1 2.99Å; E75-R127 IonicContact OE1-NH2 3.29Å; E75-R127 PolarHBondContact OE1-NH2 3.22Å; E75-R127 IonicContact OE2-CZ 2.87Å; E75-R127 IonicContact OE2-NH2 2.72Å; E75-R127 PolarHBondContact OE2-NH2 3.41Å; L123-R127 WeakPolarHBondContact O-CG 3.32Å; L123-R127 PolarHBondContact O-N 3.15Å; L123-R127 VanDerWaalsContact O-N 3.14Å; K124-R127 PolarHBondContact O-N 2.86Å; R127-G129 PolarHBondContact O-N 3.33Å |
| 128 | E | 86.2 | Confident | 86.8 | Confident | 133 Ų | 133 | 85.7 Ų | 85.7 | 62% | 0.621 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | 5.2 | 175.6 | -71.1 | 178.9 | 166.1 | 0 | 0 | 113.4 | K124 Q125 G130 | K124-E128 WeakPolarHBondContact CE-OE1 3.47Å; K124-E128 IonicContact NZ-OE1 3.96Å; K124-E128 WeakPolarHBondContact O-CB 3.33Å; K124-E128 WeakPolarHBondContact O-CG 3.48Å; K124-E128 PolarHBondContact O-N 3.22Å; Q125-E128 PolarHBondContact O-N 3.23Å; E128-G130 PolarHBondContact O-N 3.28Å |
| 129 | G | 78.1 | Confident | 86.8 | Confident | 65 Ų | 65 | 85.5 Ų | 85.5 | 67% | 0.67 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.7 | 18.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q125 Q126 R127 | Q125-G129 PolarHBondContact O-N 3.09Å; Q126-G129 PolarHBondContact O-N 3.49Å; Q126-G129 VanDerWaalsContact O-N 3.17Å; R127-G129 PolarHBondContact O-N 3.33Å |
| 130 | G | 77.6 | Confident | 86.8 | Confident | 32 Ų | 32 | 84.9 Ų | 84.9 | 33% | 0.33 | 42% | 0.416 | S | S | . | . | trans | -86.6 | 141.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q125 E128 | Q125-G130 VanDerWaalsContact CG-O 3.31Å; Q125-G130 WeakPolarHBondContact CG-O 3.4Å; Q125-G130 PolarHBondContact O-N 2.95Å; E128-G130 PolarHBondContact O-N 3.28Å | ||
| 131 | V | 64.8 | Low | 86.8 | Confident | 140 Ų | 140 | 89.4 Ų | 89.4 | 85% | 0.848 | 43% | 0.431 | S | S | * | . | trans | -112.8 | 24.1 | 173.4 | -155.3 | 0 | 0 | 0 | 0 | 111.3 | H133 | V131-H133 VanDerWaalsContact C-N 3.35Å; V131-H133 PolarHBondContact O-N 2.92Å | ||
| 132 | K | 76.3 | Confident | 86.9 | Confident | 173 Ų | 173 | 89.4 Ų | 89.4 | 75% | 0.752 | 43% | 0.432 | S | S | * | . | trans | -82.6 | 72.6 | -173.5 | -76.1 | -178.6 | 180 | 169.5 | 0 | 112.3 | Q125 I134 | Q125-K132 PolarHBondContact NE2-O 3.48Å; Q125-K132 PolarHBondContact OE1-O 2.91Å; K132-I134 PolarHBondContact O-N 3.14Å; K132-I134 VanDerWaalsContact O-N 3.09Å | ||
| 133 | H | 81.8 | Confident | 87 | Confident | 169 Ų | 169 | 88.1 Ų | 88.1 | 78% | 0.782 | 42% | 0.424 | S | S | * | . | trans | -47.9 | 113.3 | 178.8 | -178.2 | -77.8 | 0 | 0 | 0 | 113.4 | V131 | V131-H133 VanDerWaalsContact C-N 3.35Å; V131-H133 PolarHBondContact O-N 2.92Å | ||
| 134 | I | 88.5 | Confident | 87.2 | Confident | 56 Ų | 56 | 88.8 Ų | 88.8 | 29% | 0.287 | 43% | 0.427 | S | S | . | . | trans | -84.6 | 122.9 | -180 | -59.1 | 174 | 0 | 0 | 0 | 109.7 | M121 K132 W136 V139 | M121-I134 HydrophobicContact CB-CD1 4.25Å; K132-I134 PolarHBondContact O-N 3.14Å; K132-I134 VanDerWaalsContact O-N 3.09Å; I134-W136 VanDerWaalsContact C-N 3.31Å; I134-W136 HydrophobicContact CB-CZ2 4.21Å; I134-W136 HydrophobicContact CD1-CZ2 3.84Å; I134-W136 HydrophobicContact CG2-CD2 3.95Å; I134-W136 HydrophobicContact CG2-CE3 4.38Å; I134-W136 HydrophobicContact CG2-CG 4.38Å; I134-W136 HydrophobicContact CG2-CH2 4.32Å; I134-W136 HydrophobicContact CG2-CZ2 3.86Å; I134-W136 PolarHBondContact O-N 3.43Å; I134-V139 HydrophobicContact CG2-CG2 4.03Å | ||
| 135 | S | 92.1 | Very high | 87.5 | Confident | 63 Ų | 63 | 86.2 Ų | 86.2 | 44% | 0.441 | 42% | 0.415 | S | S | . | . | trans | -76 | 83 | 171.9 | -169.1 | 0 | 0 | 0 | 0 | 110.9 | R137 Y138 V139 | S135-R137 PolarHBondContact O-N 3.01Å; S135-Y138 WeakPolarHBondContact O-CA 3.4Å; S135-Y138 WeakPolarHBondContact O-CB 3.22Å; S135-Y138 PolarHBondContact O-N 3.18Å; S135-V139 PolarHBondContact O-N 2.9Å | ||
| 136 | W | 92.9 | Very high | 87.8 | Confident | 55 Ų | 55 | 84.3 Ų | 84.3 | 21% | 0.208 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -55 | -37.2 | 178.2 | -72.2 | 111.9 | 0 | 0 | 0 | 113.3 | I117 C118 M121 I134 Y138 V139 W140 | I117-W136 HydrophobicContact CG2-CH2 3.82Å; I117-W136 HydrophobicContact CG2-CZ3 3.91Å; C118-W136 HydrophobicContact CB-CD2 4.11Å; C118-W136 HydrophobicContact CB-CG 4.28Å; C118-W136 HydrophobicContact CB-CZ2 4.48Å; M121-W136 HydrophobicContact CB-CH2 4.15Å; M121-W136 HydrophobicContact CB-CZ2 3.66Å; M121-W136 HydrophobicContact CG-CH2 3.95Å; M121-W136 HydrophobicContact CG-CZ2 4Å; I134-W136 VanDerWaalsContact C-N 3.31Å; I134-W136 HydrophobicContact CB-CZ2 4.21Å; I134-W136 HydrophobicContact CD1-CZ2 3.84Å; I134-W136 HydrophobicContact CG2-CD2 3.95Å; I134-W136 HydrophobicContact CG2-CE3 4.38Å; I134-W136 HydrophobicContact CG2-CG 4.38Å; I134-W136 HydrophobicContact CG2-CH2 4.32Å; I134-W136 HydrophobicContact CG2-CZ2 3.86Å; I134-W136 PolarHBondContact O-N 3.43Å; W136-Y138 VanDerWaalsContact C-N 3.26Å; W136-Y138 PolarHBondContact O-N 3.05Å; W136-V139 HydrophobicContact CE3-CB 4.08Å; W136-V139 HydrophobicContact CE3-CG1 4.2Å; W136-V139 HydrophobicContact CE3-CG2 4.23Å; W136-V139 HydrophobicContact CZ3-CB 4.44Å; W136-V139 HydrophobicContact CZ3-CG1 4.12Å; W136-V139 HydrophobicContact CZ3-CG2 4.46Å; W136-V139 PolarHBondContact O-N 3.42Å; W136-V139 VanDerWaalsContact O-N 3.09Å; W136-W140 HydrophobicContact CD2-CZ2 4.44Å; W136-W140 AromaticContact CE3-CE2 3.67Å; W136-W140 HydrophobicContact CE3-CH2 4.18Å; W136-W140 AromaticContact CE3-CZ2 3.44Å; W136-W140 HydrophobicContact CE3-CZ2 3.44Å; W136-W140 VanDerWaalsContact CE3-CZ2 3.44Å; W136-W140 AromaticContact CE3-NE1 3.88Å; W136-W140 AromaticContact CZ3-CH2 3.96Å; W136-W140 HydrophobicContact CZ3-CH2 3.96Å; W136-W140 AromaticContact CZ3-CZ2 3.64Å; W136-W140 HydrophobicContact CZ3-CZ2 3.64Å; W136-W140 PolarHBondContact O-N 3.41Å |
| 137 | R | 93.6 | Very high | 88.2 | Confident | 215 Ų | 215 | 79.4 Ų | 79.4 | 81% | 0.811 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -57.6 | -36.8 | 171.9 | -166.5 | 179.4 | 77 | 131.9 | -3.7 | 112.7 | S135 R141 | S135-R137 PolarHBondContact O-N 3.01Å; R137-R141 VanDerWaalsContact O-CB 3.22Å; R137-R141 WeakPolarHBondContact O-CB 3.46Å; R137-R141 PolarHBondContact O-N 3.07Å |
| 138 | Y | 92.6 | Very high | 88.5 | Confident | 119 Ų | 119 | 83.7 Ų | 83.7 | 47% | 0.467 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -71.6 | -43.9 | 173.3 | 174.4 | -95.8 | 0 | 0 | 0 | 111.5 | S135 W136 R141 T142 | S135-Y138 WeakPolarHBondContact O-CA 3.4Å; S135-Y138 WeakPolarHBondContact O-CB 3.22Å; S135-Y138 PolarHBondContact O-N 3.18Å; W136-Y138 VanDerWaalsContact C-N 3.26Å; W136-Y138 PolarHBondContact O-N 3.05Å; Y138-R141 PolarHBondContact O-N 3.34Å; Y138-T142 HydrophobicContact CE1-CG2 4.34Å; Y138-T142 WeakPolarHBondContact CE2-OG1 3.19Å; Y138-T142 WeakPolarHBondContact O-CB 3.38Å; Y138-T142 PolarHBondContact O-N 3.43Å; Y138-T142 PolarHBondContact O-OG1 3Å |
| 139 | V | 93 | Very high | 88.6 | Confident | 24 Ų | 24 | 80.2 Ų | 80.2 | 15% | 0.145 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -56.5 | -58.1 | 178.3 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | I134 S135 W136 R141 T142 Y143 F172 | I134-V139 HydrophobicContact CG2-CG2 4.03Å; S135-V139 PolarHBondContact O-N 2.9Å; W136-V139 HydrophobicContact CE3-CB 4.08Å; W136-V139 HydrophobicContact CE3-CG1 4.2Å; W136-V139 HydrophobicContact CE3-CG2 4.23Å; W136-V139 HydrophobicContact CZ3-CB 4.44Å; W136-V139 HydrophobicContact CZ3-CG1 4.12Å; W136-V139 HydrophobicContact CZ3-CG2 4.46Å; W136-V139 PolarHBondContact O-N 3.42Å; W136-V139 VanDerWaalsContact O-N 3.09Å; V139-R141 VanDerWaalsContact C-N 3.26Å; V139-R141 PolarHBondContact O-N 2.72Å; V139-T142 PolarHBondContact O-N 2.82Å; V139-Y143 HydrophobicContact CG1-CD2 4.31Å; V139-Y143 PolarHBondContact O-N 3.05Å; V139-F172 HydrophobicContact CG1-CE1 3.83Å |
| 140 | W | 93.3 | Very high | 89.4 | Confident | 57 Ų | 57 | 82 Ų | 82 | 22% | 0.216 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.9 | -26.3 | -178.7 | -52.9 | 135.2 | 0 | 0 | 0 | 113.7 | K114 I117 W136 L145 F172 | K114-W140 HydrophobicContact CB-CH2 4.13Å; K114-W140 HydrophobicContact CB-CZ2 3.82Å; K114-W140 HydrophobicContact CD-CD2 4.38Å; K114-W140 HydrophobicContact CD-CE3 4.4Å; K114-W140 HydrophobicContact CG-CD2 4.22Å; K114-W140 HydrophobicContact CG-CE3 4.08Å; K114-W140 HydrophobicContact CG-CH2 3.98Å; K114-W140 HydrophobicContact CG-CZ2 4.1Å; K114-W140 HydrophobicContact CG-CZ3 3.95Å; K114-W140 WeakPolarHBondContact O-CZ2 3.41Å; I117-W140 HydrophobicContact CB-CH2 4.07Å; I117-W140 HydrophobicContact CB-CZ2 4.43Å; I117-W140 HydrophobicContact CD1-CH2 3.93Å; I117-W140 HydrophobicContact CG2-CH2 3.92Å; I117-W140 HydrophobicContact CG2-CZ2 4.39Å; W136-W140 HydrophobicContact CD2-CZ2 4.44Å; W136-W140 AromaticContact CE3-CE2 3.67Å; W136-W140 HydrophobicContact CE3-CH2 4.18Å; W136-W140 AromaticContact CE3-CZ2 3.44Å; W136-W140 HydrophobicContact CE3-CZ2 3.44Å; W136-W140 VanDerWaalsContact CE3-CZ2 3.44Å; W136-W140 AromaticContact CE3-NE1 3.88Å; W136-W140 AromaticContact CZ3-CH2 3.96Å; W136-W140 HydrophobicContact CZ3-CH2 3.96Å; W136-W140 AromaticContact CZ3-CZ2 3.64Å; W136-W140 HydrophobicContact CZ3-CZ2 3.64Å; W136-W140 PolarHBondContact O-N 3.41Å; W140-L145 HydrophobicContact CZ3-CD1 4.21Å; W140-L145 HydrophobicContact CZ3-CD2 4.33Å; W140-L145 HydrophobicContact CZ3-CG 4.17Å; W140-F172 HydrophobicContact CE3-CE1 4.27Å; W140-F172 HydrophobicContact CH2-CE1 4.15Å; W140-F172 AromaticContact CH2-CZ 3.93Å; W140-F172 HydrophobicContact CH2-CZ 3.93Å; W140-F172 AromaticContact CZ3-CE1 3.5Å; W140-F172 HydrophobicContact CZ3-CE1 3.5Å; W140-F172 AromaticContact CZ3-CZ 3.74Å; W140-F172 HydrophobicContact CZ3-CZ 3.74Å |
| 141 | R | 92 | Very high | 90.2 | Very high | 159 Ų | 159 | 85.1 Ų | 85.1 | 60% | 0.6 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -74.4 | -27.5 | 171.7 | -169.4 | -177.4 | 69.6 | 165.2 | -0.8 | 112.8 | R137 Y138 V139 R175 | R137-R141 VanDerWaalsContact O-CB 3.22Å; R137-R141 WeakPolarHBondContact O-CB 3.46Å; R137-R141 PolarHBondContact O-N 3.07Å; Y138-R141 PolarHBondContact O-N 3.34Å; V139-R141 VanDerWaalsContact C-N 3.26Å; V139-R141 PolarHBondContact O-N 2.72Å; R141-R175 WeakPolarHBondContact O-CD 3.16Å; R141-R175 PolarHBondContact O-NH1 2.84Å |
| 142 | T | 91.6 | Very high | 91.7 | Very high | 21 Ų | 21 | 78.5 Ų | 78.5 | 13% | 0.129 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -105.4 | -23.5 | -167.2 | -52.8 | 0 | 0 | 0 | 0 | 113.3 | Y138 V139 R175 | Y138-T142 HydrophobicContact CE1-CG2 4.34Å; Y138-T142 WeakPolarHBondContact CE2-OG1 3.19Å; Y138-T142 WeakPolarHBondContact O-CB 3.38Å; Y138-T142 PolarHBondContact O-N 3.43Å; Y138-T142 PolarHBondContact O-OG1 3Å; V139-T142 PolarHBondContact O-N 2.82Å; T142-R175 VanDerWaalsContact O-CB 3.32Å; T142-R175 WeakPolarHBondContact O-CB 3.36Å; T142-R175 WeakPolarHBondContact O-CG 3.26Å; T142-R175 PolarHBondContact O-N 2.89Å |
| 143 | Y | 92.6 | Very high | 92.4 | Very high | 64 Ų | 64 | 75.3 Ų | 75.3 | 25% | 0.251 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 145.8 | -179.2 | -57.7 | -90.8 | 0 | 0 | 0 | 110.6 | V139 F172 M173 K174 | V139-Y143 HydrophobicContact CG1-CD2 4.31Å; V139-Y143 PolarHBondContact O-N 3.05Å; Y143-F172 HydrophobicContact CG-CD1 4.39Å; Y143-M173 CarbonylContact C-O 3.54Å; Y143-M173 VanDerWaalsContact CA-O 3.27Å; Y143-M173 WeakPolarHBondContact CA-O 3.46Å; Y143-K174 HydrophobicContact CD1-CB 3.89Å; Y143-K174 HydrophobicContact CD1-CG 4.31Å; Y143-K174 HydrophobicContact CE1-CB 3.76Å; Y143-K174 HydrophobicContact CE1-CD 4.39Å; Y143-K174 HydrophobicContact CE1-CG 3.93Å |
| 144 | H | 93.1 | Very high | 93.1 | Very high | 25 Ų | 25 | 70.9 Ų | 70.9 | 12% | 0.116 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 150.8 | 163.8 | -68.1 | -82.9 | 0 | 0 | 0 | 109.7 | V146 K151 E153 M173 R175 | H144-V146 HydrophobicContact CB-CG2 4.11Å; H144-K151 HydrophobicContact CB-CG 4.47Å; H144-E153 VanDerWaalsContact CE1-CD 3.47Å; H144-E153 IonicContact CE1-OE1 3.81Å; H144-E153 PolarHBondContact CE1-OE1 3.09Å; H144-E153 IonicContact ND1-OE1 3.51Å; H144-E153 IonicContact NE2-OE1 3.46Å; H144-M173 PolarHBondContact N-O 2.84Å; H144-M173 PolarHBondContact O-N 2.99Å; H144-R175 WeakPolarHBondContact CD2-CG 3.42Å; H144-R175 PolarHBondContact CE1-NE 3.29Å; H144-R175 WeakPolarHBondContact NE2-CG 3.29Å; H144-R175 PolarHBondContact NE2-NE 3.14Å |
| 145 | L | 95.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 71.2 Ų | 71.2 | 1% | 0.01 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 134.7 | 156.8 | -66.3 | 174.7 | 0 | 0 | 0 | 107.8 | V92 L113 K114 I117 W140 L152 V170 T171 F172 | V92-L145 HydrophobicContact CG1-CD2 4.29Å; L113-L145 HydrophobicContact CD2-CD1 4.08Å; L113-L145 HydrophobicContact CG-CD1 4.32Å; K114-L145 HydrophobicContact CG-CD1 3.96Å; I117-L145 HydrophobicContact CD1-CD1 3.82Å; I117-L145 HydrophobicContact CD1-CD2 4.03Å; W140-L145 HydrophobicContact CZ3-CD1 4.21Å; W140-L145 HydrophobicContact CZ3-CD2 4.33Å; W140-L145 HydrophobicContact CZ3-CG 4.17Å; L145-L152 HydrophobicContact CB-CB 4.15Å; L145-L152 HydrophobicContact CB-CD2 4.15Å; L145-L152 PolarHBondContact O-N 2.88Å; L145-V170 HydrophobicContact CB-CG1 3.82Å; L145-V170 HydrophobicContact CD2-CG1 4.12Å; L145-V170 HydrophobicContact CG-CG1 4.44Å; L145-T171 CarbonylContact C-O 3.53Å; L145-T171 WeakPolarHBondContact CA-O 3.41Å; L145-F172 HydrophobicContact CD2-CD1 4.07Å; L145-F172 HydrophobicContact CD2-CD2 4.22Å; L145-F172 HydrophobicContact CD2-CE1 3.82Å; L145-F172 HydrophobicContact CD2-CE2 3.97Å; L145-F172 HydrophobicContact CD2-CG 4.28Å; L145-F172 HydrophobicContact CD2-CZ 3.76Å |
| 146 | V | 95 | Very high | 93.6 | Very high | 4 Ų | 4 | 73.5 Ų | 73.5 | 2% | 0.024 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 128.5 | -175.3 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | H144 E150 K151 T171 M173 | H144-V146 HydrophobicContact CB-CG2 4.11Å; V146-E150 CarbonylContact C-O 3.56Å; V146-E150 VanDerWaalsContact CA-O 3.25Å; V146-E150 WeakPolarHBondContact CA-O 3.34Å; V146-E150 WeakPolarHBondContact CG1-O 3.34Å; V146-K151 HydrophobicContact CG2-CG 4.06Å; V146-T171 PolarHBondContact N-O 2.85Å; V146-T171 PolarHBondContact O-N 3.05Å; V146-T171 PolarHBondContact O-OG1 2.87Å; V146-M173 HydrophobicContact CB-CB 4.37Å; V146-M173 HydrophobicContact CB-CE 4.39Å; V146-M173 HydrophobicContact CG1-CE 4.02Å; V146-M173 HydrophobicContact CG2-CB 3.51Å; V146-M173 HydrophobicContact CG2-CE 4.13Å; V146-M173 HydrophobicContact CG2-CG 4.42Å; V146-M173 HydrophobicContact CG2-SD 4.16Å |
| 147 | F | 95.8 | Very high | 93.8 | Very high | 10 Ų | 10 | 73.6 Ų | 73.6 | 4% | 0.044 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 122.8 | 174.9 | 177.7 | -114.6 | 0 | 0 | 0 | 109.1 | G149 E150 L152 Y162 I164 D168 E169 V170 | F147-G149 PolarHBondContact O-N 3.4Å; F147-E150 PolarHBondContact N-O 2.99Å; F147-E150 PolarHBondContact O-N 2.91Å; F147-L152 HydrophobicContact CB-CD1 3.92Å; F147-Y162 VanDerWaalsContact CD1-O 3.31Å; F147-Y162 WeakPolarHBondContact CD1-O 3.38Å; F147-Y162 WeakPolarHBondContact CE1-O 3.23Å; F147-I164 HydrophobicContact CB-CD1 4.07Å; F147-I164 HydrophobicContact CB-CG1 4.05Å; F147-I164 HydrophobicContact CD1-CD1 4.38Å; F147-I164 HydrophobicContact CD1-CG1 3.51Å; F147-I164 HydrophobicContact CD2-CG1 3.9Å; F147-I164 HydrophobicContact CE1-CG1 3.81Å; F147-I164 HydrophobicContact CE2-CG1 4.2Å; F147-I164 HydrophobicContact CG-CD1 4.12Å; F147-I164 HydrophobicContact CG-CG1 3.54Å; F147-I164 HydrophobicContact CZ-CG1 4.13Å; F147-D168 HydrophobicContact CE2-CB 3.85Å; F147-D168 HydrophobicContact CZ-CB 4.39Å; F147-E169 WeakPolarHBondContact CD2-O 3.18Å; F147-V170 HydrophobicContact CB-CG2 4.41Å; F147-V170 HydrophobicContact CD2-CG2 4.36Å |
| 148 | Q | 92.1 | Very high | 93.9 | Very high | 171 Ų | 171 | 69.2 Ų | 69.2 | 80% | 0.799 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 23.5 | 179.2 | -57 | -172 | 6.6 | 0 | 0 | 115.8 | ||
| 149 | G | 89.5 | Confident | 94.1 | Very high | 61 Ų | 61 | 63.6 Ų | 63.6 | 63% | 0.629 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.6 | -14.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | F147 | F147-G149 PolarHBondContact O-N 3.4Š|
| 150 | E | 94.3 | Very high | 94.2 | Very high | 102 Ų | 102 | 66.3 Ų | 66.3 | 48% | 0.477 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 140.6 | 172 | -173 | 167.1 | -171.9 | 0 | 0 | 111.3 | V146 F147 Y162 | V146-E150 CarbonylContact C-O 3.56Å; V146-E150 VanDerWaalsContact CA-O 3.25Å; V146-E150 WeakPolarHBondContact CA-O 3.34Å; V146-E150 WeakPolarHBondContact CG1-O 3.34Å; F147-E150 PolarHBondContact N-O 2.99Å; F147-E150 PolarHBondContact O-N 2.91Å; E150-Y162 HydrophobicContact CG-CD1 4.05Å; E150-Y162 HydrophobicContact CG-CE1 4.13Å; E150-Y162 WeakPolarHBondContact OE1-CD1 3.35Å; E150-Y162 WeakPolarHBondContact OE1-CE1 3.31Å |
| 151 | K | 94.9 | Very high | 94.3 | Very high | 97 Ų | 97 | 68.1 Ų | 68.1 | 42% | 0.422 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 129.7 | -177.6 | -60.1 | 173.9 | -172.7 | 166.6 | 0 | 110.6 | H144 V146 E153 | H144-K151 HydrophobicContact CB-CG 4.47Å; V146-K151 HydrophobicContact CG2-CG 4.06Å; K151-E153 VanDerWaalsContact C-N 3.28Å; K151-E153 HydrophobicContact CB-CG 3.79Å; K151-E153 WeakPolarHBondContact CD-OE1 3.42Å; K151-E153 IonicContact NZ-OE1 3.54Å; K151-E153 PolarHBondContact O-N 2.97Å |
| 152 | L | 94.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | trans | -79.6 | 78.3 | 174.5 | -73.6 | 62.8 | 0 | 0 | 0 | 109.1 | V110 L113 L145 F147 L159 Y162 I164 V170 | V110-L152 HydrophobicContact CG1-CB 3.81Å; V110-L152 HydrophobicContact CG2-CB 3.86Å; V110-L152 HydrophobicContact CG2-CD2 4.06Å; V110-L152 HydrophobicContact CG2-CG 3.99Å; L113-L152 HydrophobicContact CD2-CD2 4.13Å; L145-L152 HydrophobicContact CB-CB 4.15Å; L145-L152 HydrophobicContact CB-CD2 4.15Å; L145-L152 PolarHBondContact O-N 2.88Å; F147-L152 HydrophobicContact CB-CD1 3.92Å; L152-L159 HydrophobicContact CD2-CD2 4.1Å; L152-Y162 HydrophobicContact CG-CD2 4.21Å; L152-Y162 HydrophobicContact CG-CE2 4.27Å; L152-Y162 HydrophobicContact CG-CG 4.44Å; L152-I164 HydrophobicContact CD1-CD1 4.34Å; L152-I164 HydrophobicContact CD2-CD1 3.82Å; L152-I164 HydrophobicContact CG-CD1 4.42Å; L152-V170 HydrophobicContact CD2-CG1 4.48Å | ||
| 153 | E | 92.4 | Very high | 94.5 | Very high | 107 Ų | 107 | 62.3 Ų | 62.3 | 50% | 0.5 | 32% | 0.323 | S | S | . | . | trans | -92.9 | -31.3 | -179.7 | -62.3 | -164.8 | 179.5 | 0 | 0 | 113.4 | H144 K151 | H144-E153 VanDerWaalsContact CE1-CD 3.47Å; H144-E153 IonicContact CE1-OE1 3.81Å; H144-E153 PolarHBondContact CE1-OE1 3.09Å; H144-E153 IonicContact ND1-OE1 3.51Å; H144-E153 IonicContact NE2-OE1 3.46Å; K151-E153 VanDerWaalsContact C-N 3.28Å; K151-E153 HydrophobicContact CB-CG 3.79Å; K151-E153 WeakPolarHBondContact CD-OE1 3.42Å; K151-E153 IonicContact NZ-OE1 3.54Å; K151-E153 PolarHBondContact O-N 2.97Å | ||
| 154 | D | 95.2 | Very high | 94.7 | Very high | 75 Ų | 75 | 59.3 Ų | 59.3 | 40% | 0.401 | 31% | 0.311 | S | S | . | . | trans | -85.8 | 114.1 | 178.3 | -169.2 | -28.1 | 0 | 0 | 0 | 110.7 | V110 T156 M157 Y162 | V110-D154 VanDerWaalsContact CB-O 3.23Å; V110-D154 WeakPolarHBondContact CB-O 3.44Å; V110-D154 VanDerWaalsContact CG2-O 3.28Å; V110-D154 WeakPolarHBondContact CG2-O 3.45Å; D154-T156 VanDerWaalsContact C-N 3.25Å; D154-T156 PolarHBondContact O-N 3.28Å; D154-T156 WeakPolarHBondContact OD1-CA 3.46Å; D154-T156 WeakPolarHBondContact OD1-CB 3.48Å; D154-T156 PolarHBondContact OD1-N 3.17Å; D154-T156 PolarHBondContact OD1-OG1 2.9Å; D154-M157 HydrophobicContact CB-CB 3.93Å; D154-M157 PolarHBondContact OD1-N 3.24Å; D154-Y162 PolarHBondContact N-OH 2.96Å | ||
| 155 | D | 96.2 | Very high | 94.8 | Very high | 64 Ų | 64 | 66.6 Ų | 66.6 | 34% | 0.342 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -69.1 | -19.2 | 179.3 | -87.4 | -22.9 | 0 | 0 | 0 | 113.8 | T109 L111 K114 | T109-D155 WeakPolarHBondContact CB-O 3.39Å; T109-D155 PolarHBondContact OG1-O 2.87Å; L111-D155 HydrophobicContact CB-CB 4.01Å; L111-D155 VanDerWaalsContact CB-O 3.23Å; L111-D155 WeakPolarHBondContact CB-O 3.42Å; L111-D155 PolarHBondContact N-O 3.35Å; L111-D155 VanDerWaalsContact N-O 3.17Å; K114-D155 WeakPolarHBondContact CD-OD1 3.47Å; K114-D155 WeakPolarHBondContact CE-OD1 3.47Å; K114-D155 IonicContact NZ-OD1 2.74Å; K114-D155 PolarHBondContact NZ-OD1 3.38Å; K114-D155 IonicContact NZ-OD2 3.26Å |
| 156 | T | 96.1 | Very high | 94.8 | Very high | 111 Ų | 111 | 70.4 Ų | 70.4 | 68% | 0.681 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -94.5 | -23.1 | -177.2 | 70.3 | 0 | 0 | 0 | 0 | 113.8 | T109 D154 | T109-T156 WeakPolarHBondContact CG2-O 3.36Å; D154-T156 VanDerWaalsContact C-N 3.25Å; D154-T156 PolarHBondContact O-N 3.28Å; D154-T156 WeakPolarHBondContact OD1-CA 3.46Å; D154-T156 WeakPolarHBondContact OD1-CB 3.48Å; D154-T156 PolarHBondContact OD1-N 3.17Å; D154-T156 PolarHBondContact OD1-OG1 2.9Å |
| 157 | M | 96.3 | Very high | 94.7 | Very high | 56 Ų | 56 | 79 Ų | 79 | 28% | 0.276 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -69.7 | 143.7 | 179.9 | -173.8 | 166.8 | 175.3 | 0 | 0 | 111.1 | T109 V110 D154 D161 Y162 | T109-M157 WeakPolarHBondContact CA-O 3.24Å; V110-M157 PolarHBondContact N-O 2.97Å; V110-M157 VanDerWaalsContact N-O 3.1Å; D154-M157 HydrophobicContact CB-CB 3.93Å; D154-M157 PolarHBondContact OD1-N 3.24Å; M157-D161 HydrophobicContact CE-CB 3.56Å; M157-D161 HydrophobicContact CG-CB 3.92Å; M157-Y162 HydrophobicContact CB-CE2 3.79Å; M157-Y162 HydrophobicContact CE-CD1 4.15Å; M157-Y162 HydrophobicContact CE-CD2 4.32Å; M157-Y162 HydrophobicContact CE-CE1 4.12Å; M157-Y162 HydrophobicContact CE-CE2 4.3Å; M157-Y162 HydrophobicContact CE-CG 4.26Å; M157-Y162 HydrophobicContact CG-CD2 4.03Å; M157-Y162 HydrophobicContact CG-CE2 3.6Å; M157-Y162 HydrophobicContact SD-CD1 4.47Å; M157-Y162 HydrophobicContact SD-CD2 4.22Å; M157-Y162 HydrophobicContact SD-CE1 3.92Å; M157-Y162 HydrophobicContact SD-CE2 3.64Å |
| 158 | R | 96.8 | Very high | 94.7 | Very high | 124 Ų | 124 | 80.2 Ų | 80.2 | 47% | 0.468 | 40% | 0.397 | S | S | . | . | B | Isolated β-bridge | trans | -80.6 | 149.4 | -177.6 | -55.8 | 173 | 171 | 170.4 | -1.3 | 110.6 | A108 K160 D161 Y162 | A108-R158 WeakPolarHBondContact O-CA 3.15Å; R158-K160 PolarHBondContact O-N 3.43Å; R158-D161 VanDerWaalsContact CB-OD2 3.22Å; R158-D161 WeakPolarHBondContact CB-OD2 3.44Å; R158-D161 PolarHBondContact N-OD2 2.8Å; R158-D161 VanDerWaalsContact N-OD2 3.1Å; R158-D161 WeakPolarHBondContact O-CB 3.49Å; R158-D161 PolarHBondContact O-N 2.79Å; R158-Y162 PolarHBondContact O-N 3.16Å |
| 159 | L | 96 | Very high | 94.9 | Very high | 1 Ų | 1 | 76.3 Ų | 76.3 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -37 | 176 | -59.3 | 176.3 | 0 | 0 | 0 | 111.9 | M88 V90 V104 A108 V110 L113 L152 D161 Y162 G163 I164 | M88-L159 HydrophobicContact CE-CB 3.83Å; M88-L159 HydrophobicContact CE-CD1 3.79Å; M88-L159 HydrophobicContact CE-CG 4.48Å; V90-L159 HydrophobicContact CG2-CD1 4.46Å; V104-L159 HydrophobicContact CG2-CD1 3.78Å; A108-L159 HydrophobicContact CB-CD1 4.09Å; A108-L159 PolarHBondContact O-N 3.02Å; V110-L159 HydrophobicContact CG2-CD2 4.17Å; L113-L159 HydrophobicContact CB-CD1 4.09Å; L113-L159 HydrophobicContact CB-CD2 4.02Å; L113-L159 HydrophobicContact CD2-CD1 4.35Å; L113-L159 HydrophobicContact CD2-CD2 3.71Å; L113-L159 HydrophobicContact CG-CD2 4.49Å; L152-L159 HydrophobicContact CD2-CD2 4.1Å; L159-D161 VanDerWaalsContact C-N 3.29Å; L159-D161 PolarHBondContact O-N 3.49Å; L159-Y162 WeakPolarHBondContact O-CB 3.32Å; L159-Y162 PolarHBondContact O-N 3.46Å; L159-G163 PolarHBondContact O-N 3.02Å; L159-I164 HydrophobicContact CB-CB 4.21Å; L159-I164 HydrophobicContact CB-CD1 4.33Å; L159-I164 HydrophobicContact CD2-CD1 4.08Å; L159-I164 VanDerWaalsContact O-CB 3.3Å; L159-I164 WeakPolarHBondContact O-CB 3.27Å; L159-I164 PolarHBondContact O-N 3.43Å |
| 160 | K | 94.8 | Very high | 95.2 | Very high | 80 Ų | 80 | 73.4 Ų | 73.4 | 35% | 0.348 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -31.6 | 174 | -74.8 | 177 | 171.1 | 168.1 | 0 | 113.9 | Q106 N107 R158 Y162 G163 | Q106-K160 VanDerWaalsContact O-CD 3.27Å; Q106-K160 WeakPolarHBondContact O-CD 2.88Å; Q106-K160 WeakPolarHBondContact O-CE 3.38Å; Q106-K160 PolarHBondContact O-NZ 3Å; N107-K160 PolarHBondContact OD1-NZ 2.89Å; R158-K160 PolarHBondContact O-N 3.43Å; K160-Y162 VanDerWaalsContact C-N 3.29Å; K160-G163 WeakPolarHBondContact O-CA 3.4Å; K160-G163 PolarHBondContact O-N 3.13Å |
| 161 | D | 95.4 | Very high | 95.3 | Very high | 95 Ų | 95 | 71 Ų | 71 | 51% | 0.508 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -28.4 | -178.5 | -51.4 | -27.3 | 0 | 0 | 0 | 110.4 | M157 R158 L159 G163 | M157-D161 HydrophobicContact CE-CB 3.56Å; M157-D161 HydrophobicContact CG-CB 3.92Å; R158-D161 VanDerWaalsContact CB-OD2 3.22Å; R158-D161 WeakPolarHBondContact CB-OD2 3.44Å; R158-D161 PolarHBondContact N-OD2 2.8Å; R158-D161 VanDerWaalsContact N-OD2 3.1Å; R158-D161 WeakPolarHBondContact O-CB 3.49Å; R158-D161 PolarHBondContact O-N 2.79Å; L159-D161 VanDerWaalsContact C-N 3.29Å; L159-D161 PolarHBondContact O-N 3.49Å; D161-G163 PolarHBondContact O-N 2.85Å |
| 162 | Y | 94.7 | Very high | 95.2 | Very high | 20 Ų | 20 | 68 Ų | 68 | 8% | 0.078 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | 4 | 164.9 | -71.5 | -70.6 | 0 | 0 | 0 | 113.8 | V110 F147 E150 L152 D154 M157 R158 L159 K160 I164 | V110-Y162 HydrophobicContact CG2-CD2 3.98Å; V110-Y162 HydrophobicContact CG2-CE2 3.49Å; V110-Y162 VanDerWaalsContact CG2-CE2 3.49Å; F147-Y162 VanDerWaalsContact CD1-O 3.31Å; F147-Y162 WeakPolarHBondContact CD1-O 3.38Å; F147-Y162 WeakPolarHBondContact CE1-O 3.23Å; E150-Y162 HydrophobicContact CG-CD1 4.05Å; E150-Y162 HydrophobicContact CG-CE1 4.13Å; E150-Y162 WeakPolarHBondContact OE1-CD1 3.35Å; E150-Y162 WeakPolarHBondContact OE1-CE1 3.31Å; L152-Y162 HydrophobicContact CG-CD2 4.21Å; L152-Y162 HydrophobicContact CG-CE2 4.27Å; L152-Y162 HydrophobicContact CG-CG 4.44Å; D154-Y162 PolarHBondContact N-OH 2.96Å; M157-Y162 HydrophobicContact CB-CE2 3.79Å; M157-Y162 HydrophobicContact CE-CD1 4.15Å; M157-Y162 HydrophobicContact CE-CD2 4.32Å; M157-Y162 HydrophobicContact CE-CE1 4.12Å; M157-Y162 HydrophobicContact CE-CE2 4.3Å; M157-Y162 HydrophobicContact CE-CG 4.26Å; M157-Y162 HydrophobicContact CG-CD2 4.03Å; M157-Y162 HydrophobicContact CG-CE2 3.6Å; M157-Y162 HydrophobicContact SD-CD1 4.47Å; M157-Y162 HydrophobicContact SD-CD2 4.22Å; M157-Y162 HydrophobicContact SD-CE1 3.92Å; M157-Y162 HydrophobicContact SD-CE2 3.64Å; R158-Y162 PolarHBondContact O-N 3.16Å; L159-Y162 WeakPolarHBondContact O-CB 3.32Å; L159-Y162 PolarHBondContact O-N 3.46Å; K160-Y162 VanDerWaalsContact C-N 3.29Å; Y162-I164 VanDerWaalsContact C-N 3.3Å; Y162-I164 PolarHBondContact O-N 3.41Å |
| 163 | G | 94.3 | Very high | 95.1 | Very high | 39 Ų | 39 | 72.3 Ų | 72.3 | 40% | 0.402 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75 | 9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | L159 K160 D161 | L159-G163 PolarHBondContact O-N 3.02Å; K160-G163 WeakPolarHBondContact O-CA 3.4Å; K160-G163 PolarHBondContact O-N 3.13Å; D161-G163 PolarHBondContact O-N 2.85Å |
| 164 | I | 95.9 | Very high | 95 | Very high | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 36% | 0.355 | C | S | . | . | trans | -74.2 | 129.8 | 179.1 | -57.6 | 166.1 | 0 | 0 | 0 | 109.7 | V90 F147 L152 L159 Y162 D168 V170 | V90-I164 HydrophobicContact CG1-CG2 4.46Å; V90-I164 HydrophobicContact CG2-CG2 4.1Å; F147-I164 HydrophobicContact CB-CD1 4.07Å; F147-I164 HydrophobicContact CB-CG1 4.05Å; F147-I164 HydrophobicContact CD1-CD1 4.38Å; F147-I164 HydrophobicContact CD1-CG1 3.51Å; F147-I164 HydrophobicContact CD2-CG1 3.9Å; F147-I164 HydrophobicContact CE1-CG1 3.81Å; F147-I164 HydrophobicContact CE2-CG1 4.2Å; F147-I164 HydrophobicContact CG-CD1 4.12Å; F147-I164 HydrophobicContact CG-CG1 3.54Å; F147-I164 HydrophobicContact CZ-CG1 4.13Å; L152-I164 HydrophobicContact CD1-CD1 4.34Å; L152-I164 HydrophobicContact CD2-CD1 3.82Å; L152-I164 HydrophobicContact CG-CD1 4.42Å; L159-I164 HydrophobicContact CB-CB 4.21Å; L159-I164 HydrophobicContact CB-CD1 4.33Å; L159-I164 HydrophobicContact CD2-CD1 4.08Å; L159-I164 VanDerWaalsContact O-CB 3.3Å; L159-I164 WeakPolarHBondContact O-CB 3.27Å; L159-I164 PolarHBondContact O-N 3.43Å; Y162-I164 VanDerWaalsContact C-N 3.3Å; Y162-I164 PolarHBondContact O-N 3.41Å; I164-D168 HydrophobicContact CG2-CB 4.23Å; I164-V170 HydrophobicContact CD1-CG2 4.08Å | ||
| 165 | R | 94.6 | Very high | 94.7 | Very high | 179 Ų | 179 | 75.8 Ų | 75.8 | 68% | 0.675 | 36% | 0.356 | S | S | * | . | trans | -123.2 | -178 | 179.6 | -56.4 | 179.2 | -62.4 | 175.2 | 2.6 | 111.3 | R167 D168 | R165-R167 PolarHBondContact O-N 3.24Å; R165-D168 WeakPolarHBondContact CA-OD2 3.45Å; R165-D168 WeakPolarHBondContact CB-OD2 3.35Å; R165-D168 PolarHBondContact N-OD2 2.89Å; R165-D168 IonicContact NE-OD2 3.95Å; R165-D168 WeakPolarHBondContact O-CB 3.23Å; R165-D168 PolarHBondContact O-N 2.89Å | ||
| 166 | N | 95.4 | Very high | 93.8 | Very high | 82 Ų | 82 | 80.8 Ų | 80.8 | 44% | 0.439 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | 133.5 | 177.9 | -167 | 14.6 | 0 | 0 | 0 | 111.6 | M88 T89 D168 | M88-N166 HydrophobicContact CB-CB 3.87Å; T89-N166 PolarHBondContact N-OD1 2.98Å; T89-N166 PolarHBondContact O-OD1 3.49Å; N166-D168 PolarHBondContact O-N 3.22Å |
| 167 | R | 93.8 | Very high | 92.7 | Very high | 184 Ų | 184 | 86.8 Ų | 86.8 | 69% | 0.694 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 8.4 | -178.2 | -54.1 | 177.6 | 175 | 171.5 | -2.5 | 116 | T89 R165 | T89-R167 VanDerWaalsContact O-CA 3.31Å; T89-R167 WeakPolarHBondContact O-CA 3.41Å; T89-R167 PolarHBondContact O-N 3.46Å; R165-R167 PolarHBondContact O-N 3.24Å |
| 168 | D | 96.1 | Very high | 91 | Very high | 35 Ų | 35 | 94 Ų | 94 | 19% | 0.187 | 42% | 0.422 | C | S | . | . | trans | -70.6 | 158.5 | 172.4 | -80.3 | -26.7 | 0 | 0 | 0 | 112.3 | K91 F147 I164 R165 N166 | K91-D168 PolarHBondContact N-O 2.99Å; F147-D168 HydrophobicContact CE2-CB 3.85Å; F147-D168 HydrophobicContact CZ-CB 4.39Å; I164-D168 HydrophobicContact CG2-CB 4.23Å; R165-D168 WeakPolarHBondContact CA-OD2 3.45Å; R165-D168 WeakPolarHBondContact CB-OD2 3.35Å; R165-D168 PolarHBondContact N-OD2 2.89Å; R165-D168 IonicContact NE-OD2 3.95Å; R165-D168 WeakPolarHBondContact O-CB 3.23Å; R165-D168 PolarHBondContact O-N 2.89Å; N166-D168 PolarHBondContact O-N 3.22Å | ||
| 169 | E | 95.8 | Very high | 88.7 | Confident | 89 Ų | 89 | 101.3 Ų | 101.3 | 42% | 0.416 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 124.4 | -170.8 | -74.3 | 172.7 | -165.4 | 0 | 0 | 112.6 | K91 L93 F147 | K91-E169 HydrophobicContact CB-CG 3.71Å; K91-E169 HydrophobicContact CD-CG 3.53Å; K91-E169 WeakPolarHBondContact CD-OE1 3.45Å; K91-E169 HydrophobicContact CG-CG 4.35Å; K91-E169 IonicContact NZ-OE1 2.85Å; K91-E169 PolarHBondContact NZ-OE1 3Å; K91-E169 CarbonylContact O-C 3.48Å; K91-E169 WeakPolarHBondContact O-CA 3.48Å; L93-E169 HydrophobicContact CD1-CB 4.13Å; L93-E169 HydrophobicContact CD1-CG 4.43Å; F147-E169 WeakPolarHBondContact CD2-O 3.18Å |
| 170 | V | 96.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 106.4 Ų | 106.4 | 0% | 0 | 48% | 0.48 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 132.7 | 178.1 | 178.9 | 0 | 0 | 0 | 0 | 109 | V90 K91 V92 L93 L145 F147 L152 I164 | V90-V170 HydrophobicContact CG1-CB 4.19Å; V90-V170 HydrophobicContact CG1-CG2 3.58Å; K91-V170 PolarHBondContact O-N 2.89Å; V92-V170 CarbonylContact C-O 3.57Å; V92-V170 WeakPolarHBondContact CA-O 3.34Å; L93-V170 PolarHBondContact N-O 3.15Å; L145-V170 HydrophobicContact CB-CG1 3.82Å; L145-V170 HydrophobicContact CD2-CG1 4.12Å; L145-V170 HydrophobicContact CG-CG1 4.44Å; F147-V170 HydrophobicContact CB-CG2 4.41Å; F147-V170 HydrophobicContact CD2-CG2 4.36Å; L152-V170 HydrophobicContact CD2-CG1 4.48Å; I164-V170 HydrophobicContact CD1-CG2 4.08Å |
| 171 | T | 95.3 | Very high | 88 | Confident | 52 Ų | 52 | 107.7 Ų | 107.7 | 32% | 0.319 | 49% | 0.487 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 147.4 | -173.5 | 55.1 | 0 | 0 | 0 | 0 | 112.4 | L93 L145 V146 | L93-T171 HydrophobicContact CB-CG2 3.83Å; L93-T171 HydrophobicContact CD1-CG2 3.69Å; L93-T171 HydrophobicContact CG-CG2 4.42Å; L145-T171 CarbonylContact C-O 3.53Å; L145-T171 WeakPolarHBondContact CA-O 3.41Å; V146-T171 PolarHBondContact N-O 2.85Å; V146-T171 PolarHBondContact O-N 3.05Å; V146-T171 PolarHBondContact O-OG1 2.87Å |
| 172 | F | 93.7 | Very high | 87.6 | Confident | 35 Ų | 35 | 108.4 Ų | 108.4 | 15% | 0.154 | 49% | 0.486 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 116.4 | 167 | -83.3 | -83.9 | 0 | 0 | 0 | 111.5 | V92 L93 M100 I117 V139 W140 Y143 L145 | V92-F172 HydrophobicContact CG1-CD2 3.96Å; V92-F172 HydrophobicContact CG1-CE2 3.53Å; V92-F172 HydrophobicContact CG1-CZ 4.49Å; L93-F172 PolarHBondContact O-N 2.91Å; M100-F172 HydrophobicContact CE-CE2 3.98Å; I117-F172 HydrophobicContact CG2-CZ 4.26Å; V139-F172 HydrophobicContact CG1-CE1 3.83Å; W140-F172 HydrophobicContact CE3-CE1 4.27Å; W140-F172 HydrophobicContact CH2-CE1 4.15Å; W140-F172 AromaticContact CH2-CZ 3.93Å; W140-F172 HydrophobicContact CH2-CZ 3.93Å; W140-F172 AromaticContact CZ3-CE1 3.5Å; W140-F172 HydrophobicContact CZ3-CE1 3.5Å; W140-F172 AromaticContact CZ3-CZ 3.74Å; W140-F172 HydrophobicContact CZ3-CZ 3.74Å; Y143-F172 HydrophobicContact CG-CD1 4.39Å; L145-F172 HydrophobicContact CD2-CD1 4.07Å; L145-F172 HydrophobicContact CD2-CD2 4.22Å; L145-F172 HydrophobicContact CD2-CE1 3.82Å; L145-F172 HydrophobicContact CD2-CE2 3.97Å; L145-F172 HydrophobicContact CD2-CG 4.28Å; L145-F172 HydrophobicContact CD2-CZ 3.76Å |
| 173 | M | 91.8 | Very high | 87.2 | Confident | 91 Ų | 91 | 113.6 Ų | 113.6 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 125.8 | 175.5 | -170.7 | -179.5 | -71.2 | 0 | 0 | 111.5 | Y143 H144 V146 | Y143-M173 CarbonylContact C-O 3.54Å; Y143-M173 VanDerWaalsContact CA-O 3.27Å; Y143-M173 WeakPolarHBondContact CA-O 3.46Å; H144-M173 PolarHBondContact N-O 2.84Å; H144-M173 PolarHBondContact O-N 2.99Å; V146-M173 HydrophobicContact CB-CB 4.37Å; V146-M173 HydrophobicContact CB-CE 4.39Å; V146-M173 HydrophobicContact CG1-CE 4.02Å; V146-M173 HydrophobicContact CG2-CB 3.51Å; V146-M173 HydrophobicContact CG2-CE 4.13Å; V146-M173 HydrophobicContact CG2-CG 4.42Å; V146-M173 HydrophobicContact CG2-SD 4.16Å |
| 174 | K | 90.9 | Very high | 86.7 | Confident | 140 Ų | 140 | 118.3 Ų | 118.3 | 61% | 0.609 | 52% | 0.517 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68 | 133.8 | 179.5 | -169.6 | 174.7 | -177.9 | 175.6 | 0 | 111.5 | Y143 L176 | Y143-K174 HydrophobicContact CD1-CB 3.89Å; Y143-K174 HydrophobicContact CD1-CG 4.31Å; Y143-K174 HydrophobicContact CE1-CB 3.76Å; Y143-K174 HydrophobicContact CE1-CD 4.39Å; Y143-K174 HydrophobicContact CE1-CG 3.93Å; K174-L176 PolarHBondContact O-N 2.88Å |
| 175 | R | 88.3 | Confident | 86.1 | Confident | 114 Ų | 114 | 126.2 Ų | 126.2 | 43% | 0.43 | 55% | 0.551 | S | S | . | * | trans | -66.6 | 122.8 | 175.7 | -69.1 | -179.4 | 107.1 | -176.5 | 4 | 111.1 | R141 T142 H144 R177 | R141-R175 WeakPolarHBondContact O-CD 3.16Å; R141-R175 PolarHBondContact O-NH1 2.84Å; T142-R175 VanDerWaalsContact O-CB 3.32Å; T142-R175 WeakPolarHBondContact O-CB 3.36Å; T142-R175 WeakPolarHBondContact O-CG 3.26Å; T142-R175 PolarHBondContact O-N 2.89Å; H144-R175 WeakPolarHBondContact CD2-CG 3.42Å; H144-R175 PolarHBondContact CE1-NE 3.29Å; H144-R175 WeakPolarHBondContact NE2-CG 3.29Å; H144-R175 PolarHBondContact NE2-NE 3.14Å; R175-R177 PolarHBondContact O-N 2.9Å | ||
| 176 | L | 77.9 | Confident | 85.5 | Confident | 170 Ų | 170 | 122.4 Ų | 122.4 | 89% | 0.89 | 54% | 0.542 | S | S | * | . | trans | -71.8 | 106.7 | 166.1 | -61.4 | 178.6 | 0 | 0 | 0 | 108.6 | K174 K178 | K174-L176 PolarHBondContact O-N 2.88Å; L176-K178 PolarHBondContact O-N 3.02Å | ||
| 177 | R | 72.9 | Confident | 84.7 | Confident | 237 Ų | 237 | 125.5 Ų | 125.5 | 89% | 0.894 | 55% | 0.55 | S | S | * | * | trans | -65.4 | 121.8 | 164.5 | -89 | 178.8 | 144.9 | -172 | -9.9 | 108.1 | R175 K179 | R175-R177 PolarHBondContact O-N 2.9Å; R177-K179 PolarHBondContact O-N 2.91Å | ||
| 178 | K | 61.5 | Low | 84 | Confident | 207 Ų | 207 | 120.7 Ų | 120.7 | 90% | 0.9 | 54% | 0.538 | S | S | * | . | trans | -60.4 | 128.5 | 157.3 | -68.6 | -174.6 | 176.9 | -177.8 | 0 | 107.3 | L176 | L176-K178 PolarHBondContact O-N 3.02Š| ||
| 179 | K | 47.5 | Very low | 82.9 | Confident | 278 Ų | 278 | 128.5 Ų | 128.5 | 100% | 1.209 | 57% | 0.57 | S | S | * | * | trans | -78.3 | 0 | 165.4 | -86.2 | -175.2 | 171.4 | -177.6 | 0 | 109.1 | R177 | R177-K179 PolarHBondContact O-N 2.91Š|
Retrieved 179 of 179 residues in 148.6 ms
(Link to these results)